diff --git a/example/0259_metadata.tsv b/example/0259_metadata.tsv index 5f9520c16..f48dd37e6 100644 --- a/example/0259_metadata.tsv +++ b/example/0259_metadata.tsv @@ -1,2 +1,2 @@ -id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D -0259 Waters, ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.4 100 0 0 0 0 0 0 0 0 0.1 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 100 0 0 0 0 0 0 0.1 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 0 0 0 0 0 0 0 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 0 0 0 0 0 0 0 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 95 5 0 0 0.5 99.5 0 0 +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.A.heptafluorobutyric eluent.A.heptafluorobutyric.unit eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.B.heptafluorobutyric eluent.B.heptafluorobutyric.unit eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.C.heptafluorobutyric eluent.C.heptafluorobutyric.unit eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH eluent.D.heptafluorobutyric eluent.D.heptafluorobutyric.unit gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0259 Waters, ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.4 100 0 0 0 0 0 0 0 0 0.1 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 0 100 0 0 0 0 0 0 0.1 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 0 0 0 0 0 0 0 0 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 0 0 0 0 0 0 0 0 0 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 NA 0 0 95 5 0 0 0.5 99.5 0 0 diff --git a/processed_data/0393/0393_descriptors_canonical_success.tsv b/processed_data/0393/0393_descriptors_canonical_success.tsv new file mode 100644 index 000000000..2d83ef129 --- /dev/null +++ b/processed_data/0393/0393_descriptors_canonical_success.tsv @@ -0,0 +1,34 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0393_00001 11.993550774813357 15.995919698384474 -0.34704419781065055 0.27588427328061227 3.9719779269208084 7.787103774895264 0.8333333333333334 -2.949 146.18780220349987 0 5 1.6800000000000002 2 8 9 2 24 0 0 -0.6798000000000011 0.46212804000000146 37.883799999999994 1 0 0 0 0 0 0 0 0 0 0 0 0.6114758376718995 38 143 9 18.489140214922504 1.8489140214922504 9.60046393320729 4.737006321111175 4.863457612096116 4.169925001442312 89.34 0.75 0.42857142857142855 0 0 0 0 3.965406456500188 2.9557379384290847 0 1 0 0 0.4999999999999999 0 0 0.16666666666666669 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 5.76 5.530864197530864 0.8333333333333334 439.04 0 98 7.983127663125442 4.680739212552622 3.7170827358303655 2.4010905245443834 1.0496461760604292 0.6077107283236621 0.39433756729740643 0.16666666666666666 5.915939818278889 3.3662359918377835 2.2291877906591533 1.2864499316727676 0.6320636249442059 0.32614566344080037 0.1515168328669701 0.03564424524849254 1.2071067811865477 0.6178511301977578 0.6035533905932738 0.2518473140327808 0.15656636943060054 0.1259236570163904 0.5690355937288492 0 0.23570226039551587 0 0.17055575786723093 0 0.02151657414559676 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 4 0 0 385.12173988116473 380.67582683264186 393.5297354575197 331.67966020068377 227.1461036396486 12.268898673634853 9.996547820626018 11.937198789347411 11.103471014759252 6.99654782062602 0.26948219431412296 -0.10127555890445016 -0.06937535413120065 0.04507475762191049 0.01838760665881664 3 4 14.942898 23.699102 +0393_00002 11.993550543254878 15.995921716782908 -0.3305774734189658 0.27555660238079915 3.982289946214837 7.822953475370439 0.6666666666666666 -3.585 174.20120861757187 0 5 1.46 4 9 11 4 26 0 0 -1.2699999999999994 1.6128999999999984 43.46040000000001 1 0 0 0 0 0 0 0 0 0 0 0 0.7335521837530897 48 247 11 22.320910973586322 1.8600759144655268 14.832549459314112 4.74039544522029 10.092154014093824 4.459431618637298 127.71999999999998 1 0.5 0 0 0 0 2.381101577952299 3.639717276513833 0 0.9654893846056297 0 0 0.4999999999999999 0 0 0.6506976368304991 1.1052094495921163 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 2 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 6.508875739644971 7.43801652892562 0.6666666666666666 493.06 0 139 9.560477932315068 5.536581260209189 4.89960472054253 2.829011548372667 1.3522320338216987 0.8353816289544019 0.46477918909913546 0.3591167563965419 6.7333969017819255 3.5751725343303633 2.3935455026432924 1.2848172541592997 0.6428319696447106 0.32258902662995886 0.1409250290692828 0.07630450197509143 1.4957819157813605 0.8219752754296894 0.7478909578906803 0.30455194170225386 0.19383416905559703 0.13696161801919673 0.9772838841927123 0 0.23570226039551587 0 0.2450913571172239 0 0.02151657414559676 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 0 0 479.19254221932994 480.94706176678477 519.0703371823885 433.3048358161622 330.8373894272462 14.988859276187817 12.495093620167362 16.01713969317685 13.435834881120147 9.328911686986912 0.37325465867780894 -0.1975824641581234 -0.0017439603864886984 0.047543582232394896 -0.027739471827829165 4 6 15.602898 25.899102000000006 +0393_00003 11.99640049892466 15.997942764018891 -0.4199308137363854 0.08077409669387219 4.110018530422844 8.414377867134085 1 -0.837 104.17095817210648 0 2 1.7899999999999998 0 5 6 2 21 0 0 -1.5741 2.47779081 29.0791 0 0 0 0 0 0 0 0 0 0 0 0 0.1943182997056794 28 46 4 12.448985386504598 1.778426483786371 5.528490257669732 2.373160171779821 3.1553300858899105 3.584962500721156 20.23 1 0.5 1.5000000000000004 2.449489742783178 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 2.34375 6 1 358.02 0 38 5.914213562373096 3.0606601717798214 3.310660171779822 1 0.75 0 0 0 5.5685339390596 3.4375481095764804 4.198480531902895 1.2187740547882402 0.4743416490252569 0 0 0 0.75 1 0.25 1.0606601717798212 0.8278950396185306 0.15811388300841897 1.5606601717798212 0.35355339059327373 0 0 2.2071067811865475 0.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 289.72633089062515 284.3616576562502 328.1462579648441 144.1739955937501 76.08173987109379 8.134449336817426 6.996819709854345 8.49827391031301 4.553461597066616 3.996275931397695 0.20663751209642012 -0.12325535408795996 -0.0419475711847097 0.11212356056513526 -0.05023939134067566 1 1 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Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 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+0393_00010 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 +0393_00011 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0393_00012 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0393_00013 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0393_00014 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0393_00015 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0393_00016 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0393_00017 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0393_00018 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4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0393_00025 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0393_00026 15,20,44,73,81,85,89,116,118,121,134,151,153,170,226,230,240,258,260,274,284,300,311,326,327,330,339,346,347,369,396,420,435,461,471,473,508,549,557,562,590,616,626,651,660,667,716,719,727,736,744,751,787,791,804,814,833,840,852,864,869,882,900,936,948,950,968,974,977 +0393_00027 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25,62,64,153,195,278,308,312,315,324,334,403,473,481,508,514,627,682,778,826,850,881,948,980,994,1019 +0393_00031 4,15,29,33,98,114,126,134,163,197,204,245,256,272,275,303,335,347,353,364,461,508,515,532,548,549,550,618,626,640,654,676,705,708,709,717,756,759,778,782,801,827,855,917,925,927,936,947,948,950,968,970,1006 +0393_00032 15,26,50,51,52,58,85,89,100,134,214,220,222,232,233,237,238,245,264,295,328,332,382,440,445,461,478,499,508,523,540,549,593,612,619,626,652,656,704,717,758,778,805,841,850,855,921,948,963,965,988,1022 +0393_00033 4,5,8,15,23,26,35,38,51,58,61,73,82,89,120,122,131,137,142,144,147,153,158,161,170,173,176,194,218,220,222,240,260,261,290,291,311,315,320,326,327,330,337,346,347,369,373,386,405,417,430,435,441,449,450,461,489,499,505,511,514,516,554,562,601,606,626,647,649,651,656,660,668,711,712,719,739,749,772,782,783,787,791,804,813,819,829,836,840,861,874,887,892,917,919,924,936,944,948,950,964,974,977,993,1014,1016,1022 diff --git a/processed_data/0393/0393_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0393/0393_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..0db2d96da --- /dev/null +++ b/processed_data/0393/0393_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0393_00001 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0393_00002 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0393_00003 153,326,626,666,700,718,833,916,919,932,948 +0393_00004 20,94,107,116,141,153,207,340,341,353,440,481,508,511,626,727,776,779,789 +0393_00005 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 +0393_00006 20,44,134,138,158,191,235,369,387,487,508,550,577,590,638,700,701,708,727,790,810,843,897,898,917,946,948,968 +0393_00007 1,26,39,60,85,87,89,94,139,153,162,174,183,270,287,311,313,326,347,351,385,402,410,442,461,464,486,496,499,523,551,557,562,626,689,719,743,753,829,868,936,974,1015 +0393_00008 1,26,39,46,54,60,63,85,87,89,94,139,153,162,174,177,183,209,229,278,279,282,287,300,311,313,326,347,351,385,410,434,442,450,461,464,471,486,496,499,523,551,555,557,562,626,719,729,732,743,753,829,868,936,974,994,1015 +0393_00009 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 +0393_00010 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 +0393_00011 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0393_00012 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0393_00013 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0393_00014 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0393_00015 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0393_00016 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0393_00017 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0393_00018 57,134,148,153,158,278,326,349,420,436,461,508,552,584,616,626,629,681,748,835,850,876,882,968 +0393_00019 19,20,62,94,96,107,134,141,145,153,207,230,270,421,449,481,482,487,508,528,550,558,588,626,727,747,776,789,968,989 +0393_00020 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0393_00021 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0393_00022 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0393_00023 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0393_00024 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0393_00025 15,16,17,21,30,58,89,92,93,134,153,177,195,200,220,226,245,247,260,269,278,279,298,300,321,330,335,337,347,351,353,361,369,381,419,423,438,442,461,471,476,493,500,508,511,515,523,529,533,550,555,557,562,588,591,626,635,640,648,651,661,676,683,691,700,719,748,750,759,785,798,808,811,827,872,918,927,935,936,947,948,968,970,974,994,996,1006,1015 +0393_00026 15,20,44,52,71,85,89,93,118,134,151,153,200,215,216,227,242,258,260,274,300,311,326,332,339,347,351,381,396,420,442,461,471,473,477,493,508,549,557,562,590,599,602,616,626,634,636,645,669,689,719,727,743,804,809,814,817,840,864,869,876,927,936,948,950,968,974,984 +0393_00027 4,15,33,66,85,89,93,98,114,134,153,163,197,200,215,216,220,240,245,256,260,272,275,300,303,311,316,320,326,335,347,351,353,364,442,461,490,493,508,515,532,533,548,549,550,557,562,602,618,626,640,654,686,689,699,705,707,708,709,717,719,743,778,782,801,812,827,855,925,936,948,950,968,970,974,1006,1022 +0393_00028 9,15,23,85,89,93,128,134,139,153,200,216,220,223,241,243,245,260,300,311,316,320,326,335,347,351,353,438,442,446,461,469,486,493,499,508,513,515,533,550,554,557,562,570,573,602,619,620,626,640,661,676,683,686,687,689,719,733,736,743,748,793,827,899,936,947,968,974,978,1016,1017 +0393_00029 15,33,66,83,85,89,93,114,134,153,200,215,216,220,240,245,256,260,272,290,300,311,316,320,326,335,347,351,364,442,461,481,490,493,505,508,515,532,533,548,549,550,557,562,602,626,654,666,686,689,694,699,707,717,719,743,778,782,801,812,827,925,936,948,950,958,968,974,980,1006,1022 +0393_00030 25,62,64,153,195,278,308,312,315,324,334,403,473,481,508,514,627,682,778,826,850,881,948,980,994,1019 +0393_00031 4,15,29,33,98,114,126,134,163,197,204,245,256,272,275,303,335,347,353,364,461,508,515,532,548,549,550,618,626,640,654,676,705,708,709,717,756,759,778,782,801,827,855,917,925,927,936,947,948,950,968,970,1006 +0393_00032 15,26,51,52,58,89,103,114,134,172,220,222,233,237,245,264,332,366,376,440,445,461,499,500,508,540,583,593,595,626,652,656,684,704,706,736,743,760,805,829,846,855,857,921,935,937,948,963,964,965,988,1009,1022 +0393_00033 7,15,20,26,35,36,39,47,51,56,60,64,74,76,77,85,89,93,97,99,107,112,144,153,182,200,208,212,216,222,224,259,260,261,262,281,291,300,311,326,330,345,347,351,358,373,375,405,413,417,421,439,442,460,461,483,493,499,523,527,545,557,562,569,575,590,591,602,612,616,626,628,654,656,662,668,669,670,684,685,689,701,711,719,739,743,762,765,772,773,782,805,809,819,824,826,829,860,890,936,937,938,948,955,957,964,974,977,987,988,989 diff --git a/processed_data/0393/0393_fingerprints_maccs_canonical_success.tsv b/processed_data/0393/0393_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..bc4d11c9d --- /dev/null +++ b/processed_data/0393/0393_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0393_00001 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0393_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0393_00003 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0393_00004 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0393_00005 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0393_00006 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0393_00007 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0393_00008 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0393_00009 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0393_00010 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +0393_00011 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0393_00012 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0393_00013 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0393_00014 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0393_00015 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0393_00016 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0393_00017 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0393_00018 57,72,82,83,96,109,132,137,139,146,152,153,154,155,157,159,162,164,165 +0393_00019 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0393_00020 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0393_00021 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0393_00022 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0393_00023 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0393_00024 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0393_00025 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00026 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0393_00027 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00028 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0393_00029 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00030 99,114,115,116,118,147,154,155,160,164 +0393_00031 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0393_00032 26,34,50,57,66,76,83,89,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,132,137,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0393_00033 19,22,53,54,57,62,66,72,74,82,83,89,90,91,96,98,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 diff --git a/processed_data/0393/0393_fingerprints_maccs_isomeric_success.tsv b/processed_data/0393/0393_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..bc4d11c9d --- /dev/null +++ b/processed_data/0393/0393_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0393_00001 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0393_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0393_00003 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0393_00004 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0393_00005 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0393_00006 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0393_00007 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0393_00008 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0393_00009 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0393_00010 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +0393_00011 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0393_00012 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0393_00013 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0393_00014 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0393_00015 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0393_00016 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0393_00017 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0393_00018 57,72,82,83,96,109,132,137,139,146,152,153,154,155,157,159,162,164,165 +0393_00019 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0393_00020 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0393_00021 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0393_00022 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0393_00023 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0393_00024 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0393_00025 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00026 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0393_00027 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00028 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0393_00029 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0393_00030 99,114,115,116,118,147,154,155,160,164 +0393_00031 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0393_00032 26,34,50,57,66,76,83,89,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,132,137,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0393_00033 19,22,53,54,57,62,66,72,74,82,83,89,90,91,96,98,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 diff --git a/processed_data/0393/0393_fingerprints_pubchem_canonical_success.tsv b/processed_data/0393/0393_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..d0020c0fb --- /dev/null +++ b/processed_data/0393/0393_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0393_00001 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0393_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0393_00003 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0393_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0393_00005 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0393_00006 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0393_00007 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0393_00008 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0393_00009 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0393_00010 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +0393_00011 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0393_00012 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0393_00013 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0393_00014 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0393_00015 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0393_00016 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0393_00017 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0393_00018 10,11,19,20,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,382,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0393_00019 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0393_00020 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0393_00021 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0393_00022 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0393_00023 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0393_00024 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0393_00025 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0393_00026 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0393_00027 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0393_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0393_00029 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0393_00030 10,11,12,19,284,285,287,333,345,347,353,367,375,417,421,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,673,679 +0393_00031 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0393_00032 10,11,12,19,20,144,150,179,180,186,187,284,285,287,309,333,334,335,336,342,345,353,375,381,406,407,417,421,431,441,442,444,447,453,491,525,536,554,557,564,574,583,595,600,615,618,620,638,641,661,662,667,668,672,679,680,681,689,690,697,698,699,700,709,710,711,712,713,778,799,819 +0393_00033 10,11,12,13,14,19,20,21,22,116,117,144,145,147,151,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 diff --git a/processed_data/0393/0393_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0393/0393_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..d0020c0fb --- /dev/null +++ b/processed_data/0393/0393_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0393_00001 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0393_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0393_00003 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0393_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0393_00005 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0393_00006 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0393_00007 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0393_00008 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0393_00009 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0393_00010 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +0393_00011 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0393_00012 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0393_00013 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0393_00014 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0393_00015 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0393_00016 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0393_00017 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0393_00018 10,11,19,20,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,382,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0393_00019 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0393_00020 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0393_00021 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0393_00022 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0393_00023 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0393_00024 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0393_00025 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0393_00026 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0393_00027 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0393_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0393_00029 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0393_00030 10,11,12,19,284,285,287,333,345,347,353,367,375,417,421,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,673,679 +0393_00031 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0393_00032 10,11,12,19,20,144,150,179,180,186,187,284,285,287,309,333,334,335,336,342,345,353,375,381,406,407,417,421,431,441,442,444,447,453,491,525,536,554,557,564,574,583,595,600,615,618,620,638,641,661,662,667,668,672,679,680,681,689,690,697,698,699,700,709,710,711,712,713,778,799,819 +0393_00033 10,11,12,13,14,19,20,21,22,116,117,144,145,147,151,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 diff --git a/processed_data/0393/0393_gradient.tsv b/processed_data/0393/0393_gradient.tsv new file mode 100644 index 000000000..f442367da --- /dev/null +++ b/processed_data/0393/0393_gradient.tsv @@ -0,0 +1,8 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +6 0.3 80 20 +13 0.3 65 35 +18 0.3 50 50 +24 0.3 35 65 +30 0.3 10 90 +40 0.3 10 90 diff --git a/processed_data/0393/0393_info.tsv b/processed_data/0393/0393_info.tsv new file mode 100644 index 000000000..927840888 --- /dev/null +++ b/processed_data/0393/0393_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0393 10.1016/j.jpba.2012.10.024 Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su SQFZ_injection diff --git a/processed_data/0393/0393_metadata.tsv b/processed_data/0393/0393_metadata.tsv new file mode 100644 index 000000000..c244599ff --- /dev/null +++ b/processed_data/0393/0393_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0393 Agilent ZORBAX Eclipse Plus C18 L1 100 2.1 1.8 25 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 10 90 0 0 diff --git a/processed_data/0393/0393_report_canonical.pdf b/processed_data/0393/0393_report_canonical.pdf new file mode 100644 index 000000000..fa78cf9c2 Binary files /dev/null and b/processed_data/0393/0393_report_canonical.pdf differ diff --git a/processed_data/0393/0393_report_isomeric.pdf b/processed_data/0393/0393_report_isomeric.pdf new file mode 100644 index 000000000..9483c3b1a Binary files /dev/null and b/processed_data/0393/0393_report_isomeric.pdf differ diff --git a/processed_data/0393/0393_rtdata_canonical_success.tsv b/processed_data/0393/0393_rtdata_canonical_success.tsv new file mode 100644 index 000000000..430933bc9 --- /dev/null +++ b/processed_data/0393/0393_rtdata_canonical_success.tsv @@ -0,0 +1,34 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0393_00001 C6H14N2O2 1.875 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00002 C6H14N4O2 2.053 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00003 C5H14NO 2.077 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0393_00004 C4H8N2O3 2.108 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00005 C4H9NO3 2.12 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00006 C7H7NO2 2.212 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0393_00007 C12H22O11 2.401 C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0393_00008 C18H32O16 2.536 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 MUPFEKGTMRGPLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0393_00009 C5H5N5 2.732 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0393_00010 C5H11NO2 2.799 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00011 C5H11NO2S 3.211 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00012 C6H5NO2 3.339 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0393_00013 C4H4N2O2 4.199 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0393_00014 C9H11NO3 4.31 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00015 C6H13NO2 4.67 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00016 C6H13NO2 5.019 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00017 C10H13N5O4 5.245 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0393_00018 C6H6O3 7.093 C1=C(OC(=C1)C=O)CO InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 NOEGNKMFWQHSLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0393_00019 C9H11NO2 7.217 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00020 C7H6O4 7.742 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0393_00021 C16H18O9 8.987 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0393_00022 C11H12N2O2 9.704 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0393_00023 C9H10O5 9.871 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0393_00024 C10H10O4 11.491 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0393_00025 C27H30O16 11.56 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0393_00026 C17H24O10 13.865 COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3 IBFYXTRXDNAPMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0393_00027 C22H22O10 17.606 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3 WACBUPFEGWUGPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0393_00028 C21H20O10 18.203 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0393_00029 C22H22O9 21.561 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3 MGJLSBDCWOSMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0393_00030 C9H14O 22.726 CCCCC=CC=CC=O InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3 ZHHYXNZJDGDGPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Medium-chain aldehydes (CHEMONTID:0002229) +0393_00031 C16H12O5 23.61 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 ZZAJQOPSWWVMBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 3'-hydroxy,4'-methoxyisoflavonoids (CHEMONTID:0003651) +0393_00032 C15H20O3 30.088 CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3 FBMORZZOJSDNRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Eudesmanolides, secoeudesmanolides, and derivatives (CHEMONTID:0001772) +0393_00033 C41H68O14 32.164 CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3 QMNWISYXSJWHRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) Cucurbitacin glycosides (CHEMONTID:0001687) diff --git a/processed_data/0393/0393_rtdata_isomeric_success.tsv b/processed_data/0393/0393_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..a33e83432 --- /dev/null +++ b/processed_data/0393/0393_rtdata_isomeric_success.tsv @@ -0,0 +1,34 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0393_00001 C6H14N2O2 1.875 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00002 C6H14N4O2 2.053 C(C[C@@H](C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0393_00003 C5H14NO 2.077 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 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C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0393_00009 C5H5N5 2.732 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0393_00010 C5H11NO2 2.799 C[N+](C)(C)CC(=O)[O-] 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compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0393_00030 C9H14O 22.726 CCCC/C=C/C=C/C=O InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+ ZHHYXNZJDGDGPJ-BSWSSELBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Medium-chain aldehydes (CHEMONTID:0002229) +0393_00031 C16H12O5 23.61 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 ZZAJQOPSWWVMBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 3'-hydroxy,4'-methoxyisoflavonoids (CHEMONTID:0003651) +0393_00032 C15H20O3 30.088 CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 FBMORZZOJSDNRQ-GLQYFDAESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Eudesmanolides, secoeudesmanolides, and derivatives (CHEMONTID:0001772) +0393_00033 C41H68O14 32.164 C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1 QMNWISYXSJWHRY-YLNUDOOFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) Cucurbitacin glycosides (CHEMONTID:0001687) diff --git a/processed_data/0393/0393_validation_qspr_outliers.tsv b/processed_data/0393/0393_validation_qspr_outliers.tsv new file mode 100644 index 000000000..da06a6db3 --- /dev/null +++ b/processed_data/0393/0393_validation_qspr_outliers.tsv @@ -0,0 +1,3 @@ +id error +0393_00025 10.572796017258659 +0393_00032 10.232079980413339 diff --git a/processed_data/0394/0394_descriptors_canonical_success.tsv b/processed_data/0394/0394_descriptors_canonical_success.tsv new file mode 100644 index 000000000..8b72fc0ba --- /dev/null +++ b/processed_data/0394/0394_descriptors_canonical_success.tsv @@ -0,0 +1,184 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0394_00001 11.993732212060557 14.009097712055222 -0.34809048190335534 0.022595392789646854 4.9481179945774505 6.034755402552593 1 0.063 59.110377681832105 0 0 1.68 0 3 3 1 13 0 0 0.3200999999999997 0.10246400999999981 19.9881 0 0 0 0 0 0 0 0 0 0 0 0 0.05484692857376039 12 9 0 6.732050807568878 1.6830127018922194 2.7320508075688776 0 2.7320508075688776 2.584962500721156 3.24 1 0.5 1.5000000000000004 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1.3333333333333333 1 132.01 0 9 3.5773502691896257 1.7320508075688776 1.7320508075688776 0 0 0 0 0 3.447213595499958 1.3416407864998738 1.3416407864998738 0 0 0 0 0 0 0 0 0 0 0 0.5773502691896258 0 0 0 0.44721359549995793 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 110.23975300000006 89.75248875000007 73.90899675000004 0 0 4.35998030127648 3.4985457995413354 3 0 0 0.0969809791919736 -0.07273573439398019 0.0242452447979934 0 0 0 1 11.818863 12.381136999999999 +0394_00002 11.993732212060557 14.009097712055226 -0.3613294849666819 0.03278995988932001 4.7577023727424095 6.225293641148437 1 0.31700000000000006 59.110377681832105 0 0 1.68 0 3 3 1 13 0 0 0.07870000000000044 0.0061936900000000685 19.084999999999997 0 0 0 0 0 0 0 0 0 0 0 0 0.44046823502754484 12 9 0 6.732050807568878 1.6830127018922194 2.2440169358562927 0 2.2440169358562927 2.584962500721156 26.02 1 0.5 0.4999999999999999 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1.3333333333333333 1 132.01 0 9 3.5773502691896257 1.7320508075688776 1.7320508075688776 0 0 0 0 0 3.1547005383792515 1.488033871712585 1.2440169358562925 0 0 0 0 0 0 0 0 0 0 0 0.5773502691896258 0 0 0 0.3333333333333333 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 112.36283612500006 92.44717050000006 73.58623256250004 0 0 4.35998030127648 3.166181933180445 3.3323638663608905 0 0 0.027114657233707578 -0.008444788561275587 -0.005112540055578202 0 0 1 1 9.178863000000002 12.381136999999999 +0394_00003 11.993187996297847 14.018190817699661 -0.3641357348517343 0.041755076767503105 4.892579182741879 10.160881439048195 1 -0.6650000000000011 872.4599415247983 4 51 4.869999999999999 0 25 60 15 170 0 0 -3.277399999999996 10.741350759999975 273.68989999999997 0 0 0 0 0 0 0 0 0 0 0 0 0.2647554241709494 252 20988 72 119.8349380848579 1.9645071817189819 43.36729466695968 0 43.36729466695968 6.906890595608519 230.84000000000003 1 0.5 0 4.524373749072591 0 0 0 0 0 0 0 0 0 0 0 1.5325644849891695 0 4.798318880535422 0 0 2.5957187781820066 0 0 0 0 0 0 1 0 45 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 61 47.94765840220386 38.93518518518518 1 24901.15 0 2320 44.861257037721984 29.937175130420048 21.927656511881224 16.04180166495115 11.637490828010522 8.884683261223874 6.181088888456345 4.299038105676655 40.56910247541131 25.613876191251038 17.504187441156713 11.947721181979105 8.356288824184897 5.776793899915412 3.7594025893837397 2.428201178369308 3.0310889132455365 4.286607049870562 4.656754347975772 2.3478713763747803 3.320391543176795 3.2163407582610253 1.4288690166235207 0 0 0 1.1067971810589328 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30 16 0 0 3847.554404817558 4042.563829587246 4611.454586310909 5028.141625886495 5355.103464399192 66.39970451914719 64.819276062232845 70.81927606223283 76.81927606223283 83.20590615105121 0.8884443641930864 -0.4493960812791167 -0.028987861199986763 -0.45153762455474117 1.0179988165456786 8 15 127.739563 170.1404369999998 +0394_00004 11.99640049892466 15.997942764018891 -0.4199308137363854 0.08077409669387219 4.110018530422844 8.414377867134085 1 -0.837 104.17095817210648 0 2 1.7899999999999998 0 5 6 2 21 0 0 -1.5741 2.47779081 29.0791 0 0 0 0 0 0 0 0 0 0 0 0 0.1943182997056794 28 46 4 12.448985386504598 1.778426483786371 5.528490257669732 2.373160171779821 3.1553300858899105 3.584962500721156 20.23 1 0.5 1.5000000000000004 2.449489742783178 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 2.34375 6 1 358.02 0 38 5.914213562373096 3.0606601717798214 3.310660171779822 1 0.75 0 0 0 5.5685339390596 3.4375481095764804 4.198480531902895 1.2187740547882402 0.4743416490252569 0 0 0 0.75 1 0.25 1.0606601717798212 0.8278950396185306 0.15811388300841897 1.5606601717798212 0.35355339059327373 0 0 2.2071067811865475 0.5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 289.72633089062515 284.3616576562502 328.1462579648441 144.1739955937501 76.08173987109379 8.134449336817426 6.996819709854345 8.49827391031301 4.553461597066616 3.996275931397695 0.20663751209642012 -0.12325535408795996 -0.0419475711847097 0.11212356056513526 -0.05023939134067566 1 1 17.944898000000002 20.037101999999997 +0394_00005 11.99347873986245 30.9737626974915 -0.38776163642520645 0.44889767622521903 2.4616608771829265 9.201254478687586 0.625 -3.1010000000000004 295.18676347195884 0 4 1.13 6 10 20 0 33 0 0 -3.6919999999999993 13.630863999999995 60.41230000000001 2 2 1 2 1 0 0 2 0 0 0 0 0.5689749306501417 100 714 26 37.49835059019936 1.9735973994841767 30.363473887150473 18.20590724956527 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khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 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a/processed_data/0394/0394_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0394/0394_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..803412276 --- /dev/null +++ b/processed_data/0394/0394_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 83,144,670,948 +0394_00002 141,207,481,802,843,948 +0394_00003 32,62,77,142,153,190,233,268,271,425,433,436,481,486,545,670,764,778,826,844,913,948,968,987,994 +0394_00004 153,326,626,666,700,718,833,916,919,932,948 +0394_00005 54,57,89,134,139,153,163,256,266,282,302,319,334,347,369,374,387,395,405,412,461,481,498,508,524,555,588,626,638,680,692,693,719,743,763,771,785,791,796,887,891,894,919,925,936,954,968,974 +0394_00006 20,138,153,197,207,301,387,390,434,508,511,526,575,626,627,700,707,727,754,779,831,833,919,932,948 +0394_00007 19,52,62,63,74,153,186,207,231,280,323,347,388,430,541,549,569,672,731,778,826,880,915,948,994,1017 +0394_00008 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20,39,49,94,107,141,153,172,207,231,235,247,261,298,349,383,427,470,480,481,508,512,516,527,530,602,626,635,673,727,739,752,779,802,823,852,917,948,952 +0394_00056 20,52,94,107,141,153,156,207,231,235,236,247,254,261,349,381,383,406,427,452,480,481,508,512,516,530,563,602,626,673,727,739,752,762,802,868,917,948,994,1024 +0394_00057 15,26,89,94,122,158,199,222,365,371,376,519,524,584,596,626,681,686,697,707,719,731,772,828,855,883,913,936,937,948,985 +0394_00058 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019 +0394_00059 15,20,21,40,44,61,73,76,86,89,93,94,114,120,123,129,134,143,147,153,172,186,237,245,246,260,308,314,328,346,347,353,364,380,404,414,422,435,438,442,461,470,476,480,492,494,508,513,515,518,519,526,532,540,563,570,626,640,650,654,676,681,706,727,736,760,766,782,789,799,810,820,827,874,875,899,907,928,929,941,943,944,948,968,974,987,1009 +0394_00060 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20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0394_00072 20,39,47,49,94,107,144,153,179,189,207,296,316,347,367,508,516,527,564,602,626,673,700,727,739,753,777,802,842,945,948,970,977,987 +0394_00073 20,62,124,138,153,171,182,207,225,272,306,338,347,387,423,434,497,508,511,526,530,536,575,627,640,700,727,747,827,833,888,915,916,919,948,994 +0394_00074 20,138,153,171,187,207,272,273,297,347,387,423,434,497,508,511,526,564,575,579,627,700,727,802,827,833,863,888,916,919,923,948,975 +0394_00075 20,93,94,107,141,153,188,207,231,259,261,298,322,341,363,382,396,427,437,447,449,481,504,508,512,516,602,620,626,635,642,659,673,698,704,727,739,756,778,833,853,881,915,917,948,952,992,1015 +0394_00076 10,20,30,62,141,153,171,207,231,283,325,332,347,370,428,430,476,497,508,530,542,544,591,620,640,727,778,797,826,850,915,945,948,950,969,994,1002,1015,1019 +0394_00077 84,86,153,265,296,326,347,430,533,605,626,666,754,776,867 +0394_00078 9,15,20,73,84,89,96,97,134,145,156,175,237,245,257,267,272,280,282,294,320,364,371,380,437,438,442,453,464,469,487,503,504,506,508,524,531,534,540,542,550,555,619,650,652,654,662,663,664,677,686,689,714,722,729,741,762,772,786,797,850,854,867,881,900,948,968 +0394_00079 15,17,26,36,61,73,89,106,115,121,153,161,165,170,240,260,311,319,326,327,329,330,336,346,347,369,435,461,492,499,508,514,562,573,579,626,651,657,660,678,719,787,791,804,819,836,871,911,936,948,964,974,1022 +0394_00080 15,24,26,46,61,73,89,92,104,106,109,120,153,161,170,222,235,240,249,260,311,326,327,330,345,346,347,350,369,391,435,439,461,471,499,508,514,562,626,645,651,660,699,719,787,791,804,819,855,864,936,948,974,1022 +0394_00081 11,15,26,56,61,65,73,87,89,106,153,161,170,218,219,240,260,311,326,327,330,346,347,369,411,435,461,496,499,533,546,562,573,609,626,651,652,660,689,690,719,726,769,787,791,804,861,886,936,948,964,974,1019,1022,1023 +0394_00082 15,18,20,26,58,73,89,106,115,129,153,161,170,222,232,238,240,260,311,326,327,330,346,347,350,354,364,369,409,435,450,461,499,562,588,621,626,651,660,692,719,754,772,787,791,804,855,865,873,898,936,948,956,964,974,1018,1022 +0394_00083 15,26,61,65,73,89,99,106,139,153,161,168,170,222,240,260,311,326,327,330,346,347,369,382,418,435,461,463,471,499,516,533,550,562,573,578,586,609,626,651,660,719,772,787,791,796,804,823,835,936,948,964,974,991,1019,1022 +0394_00084 15,25,26,57,58,73,89,109,131,139,144,153,170,176,222,285,311,326,327,330,346,347,369,435,461,503,507,562,575,626,656,660,671,677,698,701,719,772,787,791,812,829,850,872,900,915,924,936,937,946,948,974,977,1013 +0394_00085 15,26,36,73,89,106,110,144,153,170,192,224,310,311,326,327,330,346,347,369,373,435,461,471,499,530,562,574,618,624,626,635,639,656,660,709,712,719,769,787,791,819,861,869,936,948,974,977,978,987 +0394_00086 5,15,26,35,73,80,89,153,170,181,228,240,260,285,311,326,327,330,346,347,369,435,448,461,488,499,510,517,553,562,620,626,651,660,719,787,791,800,804,819,836,840,843,883,896,931,936,948,961,974,987 +0394_00087 20,138,142,153,171,187,207,218,254,272,273,299,347,387,423,434,497,508,511,526,541,575,627,665,700,727,802,821,827,833,863,888,916,919,948,994,1004 +0394_00088 20,45,50,51,62,64,80,92,101,116,145,146,153,159,172,186,207,225,228,231,236,243,270,281,283,295,312,314,321,360,364,366,372,390,392,396,437,447,454,479,481,508,514,516,530,588,609,626,683,709,727,729,734,741,770,778,808,821,826,850,897,948,970,976,977,994,1019 +0394_00089 20,45,50,51,62,64,80,92,101,128,137,145,146,153,154,159,172,186,207,236,243,256,270,281,283,295,312,314,360,364,366,372,390,392,396,447,479,481,508,514,516,530,588,609,626,635,690,709,727,729,734,741,770,778,792,793,808,826,850,864,903,948,970,976,977,994,1019 +0394_00090 4,5,15,20,26,40,42,52,57,73,83,89,94,115,125,134,153,163,193,215,221,226,236,277,343,347,353,362,370,378,388,434,437,452,454,455,457,461,467,499,515,531,540,549,550,574,614,626,639,640,655,663,669,677,696,698,702,705,711,732,744,746,757,762,769,774,778,779,780,786,850,856,882,888,908,932,935,938,942,948,963,968,1012 +0394_00091 15,17,20,21,26,45,60,80,89,92,95,99,146,153,159,207,222,228,231,236,237,243,270,285,288,300,314,316,343,360,366,371,470,479,492,494,499,508,516,530,553,554,586,594,609,618,621,626,633,655,670,688,690,707,719,726,727,758,762,772,795,802,806,807,808,818,861,882,916,917,918,936,948,961,964,970 +0394_00092 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +0394_00093 15,25,26,79,89,93,104,105,134,139,148,153,170,183,196,207,216,218,220,231,245,256,283,288,289,312,326,332,336,347,354,369,375,399,417,435,461,486,488,499,502,508,513,517,523,538,547,555,562,599,626,634,660,682,700,708,719,782,783,785,787,791,802,807,816,855,882,883,899,910,934,936,946,948,968,973,974,979,994,1000,1004 +0394_00094 15,26,79,89,96,97,104,106,112,134,139,153,159,170,196,207,216,220,223,256,274,283,326,336,347,369,375,388,399,414,435,451,461,486,494,499,523,538,547,555,562,584,602,625,626,634,660,682,704,708,719,722,729,766,767,782,783,785,787,791,801,802,816,819,850,855,858,867,873,882,883,896,910,915,926,936,948,968,974,979,994,1000 +0394_00095 20,64,72,73,82,89,134,153,160,170,173,183,189,207,231,240,242,260,311,326,327,330,346,347,361,369,430,435,461,467,547,562,576,608,613,626,651,656,660,663,698,719,734,757,760,762,770,773,781,785,787,789,791,802,804,850,883,907,909,931,936,948,974,994 +0394_00096 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0394_00097 20,26,50,57,62,64,77,96,153,163,183,186,207,221,227,258,280,292,312,321,332,345,347,390,396,430,442,447,463,481,492,508,522,530,544,586,588,611,622,625,626,640,683,692,715,723,727,741,763,779,784,804,831,850,897,913,948,954,955,987,994,1004,1019 +0394_00098 20,26,50,57,62,64,77,108,124,153,161,163,171,186,207,221,292,306,312,321,326,332,345,347,383,396,422,430,434,442,447,463,481,492,497,508,522,530,576,586,588,611,622,626,640,647,692,698,715,723,727,741,763,784,804,850,897,913,948,954,994,1004 +0394_00099 15,20,25,37,58,68,94,134,153,154,220,223,228,233,323,332,347,356,406,412,441,444,451,457,472,479,480,506,508,518,530,539,556,626,644,662,668,689,692,727,739,742,745,752,756,786,802,847,850,946,948 +0394_00100 20,58,63,64,73,87,89,111,118,144,153,163,166,170,173,193,207,208,231,234,256,269,280,311,326,327,330,343,346,347,369,373,398,419,430,435,437,447,451,461,491,507,530,537,562,570,625,626,656,660,698,719,757,762,787,791,795,802,809,835,847,850,855,875,887,896,936,946,948,967,974,977,979,985,999,1000,1010 +0394_00101 20,62,73,89,119,147,153,170,178,223,283,311,326,327,330,332,346,347,369,392,422,430,435,461,497,508,530,558,562,607,613,626,660,719,727,734,751,768,778,785,787,791,810,826,936,948,974,994,1005 +0394_00102 20,26,50,57,62,64,77,96,153,154,163,183,207,221,227,258,280,283,292,308,312,347,361,370,390,430,442,447,463,481,492,497,508,530,542,544,556,558,599,622,625,626,640,662,692,727,748,755,763,778,779,784,826,831,850,864,913,918,948,954,955,987,994,1019 +0394_00103 20,26,50,57,62,64,77,124,140,153,154,161,163,171,207,221,283,292,306,312,321,326,347,358,361,370,383,422,430,442,447,463,481,492,497,508,530,556,558,576,599,622,626,640,647,662,692,698,727,748,755,763,778,784,826,850,864,913,918,948,954,994 +0394_00104 1,4,15,66,70,134,151,175,190,194,347,368,370,374,386,393,433,439,515,524,549,565,630,686,705,778,800,902,943,948,968,987,1018,1022 +0394_00105 13,15,26,73,89,111,113,129,134,186,202,218,268,282,323,359,461,472,499,524,550,620,626,640,676,686,733,827,829,889,947,948,957,968,986 +0394_00106 17,20,28,31,49,68,92,96,134,151,153,159,207,211,292,347,417,427,428,446,467,487,508,516,534,544,550,553,560,727,796,802,826,841,948,968,978,998,1006 +0394_00107 15,20,27,134,175,180,194,201,207,218,220,237,244,301,322,332,390,402,404,439,483,508,524,528,569,626,727,802,821,825,846,893,909,948,956,987,1022 +0394_00108 20,94,116,128,153,186,207,228,231,249,256,281,312,364,390,396,437,443,480,508,514,516,522,530,571,586,611,626,629,635,712,715,727,729,741,752,770,778,787,792,793,804,821,850,884,897,903,948,976,980,994 +0394_00109 15,20,26,44,89,94,134,167,193,204,207,222,237,245,255,279,285,296,317,378,388,416,422,436,478,482,499,508,511,519,540,570,617,626,656,661,664,676,703,727,730,745,772,778,779,802,852,855,863,883,900,901,948,968,975,981,982,1004 +0394_00110 20,50,51,62,64,89,94,128,134,153,172,178,207,209,223,234,245,254,283,309,312,318,332,345,391,400,422,441,452,478,480,481,496,497,508,515,530,531,540,557,620,626,727,731,752,759,776,778,797,817,826,840,850,948,968,974,976,994,1005,1008 +0394_00111 15,20,50,51,62,64,89,94,101,134,153,172,185,207,225,228,231,244,245,254,274,283,302,304,309,312,343,362,374,388,390,391,403,420,435,437,441,454,480,481,482,496,508,515,530,602,626,683,707,727,729,752,770,774,778,826,836,850,865,901,948,968,974,976,994 +0394_00112 20,50,64,94,128,153,207,228,256,281,312,321,332,364,382,390,391,414,472,480,508,514,516,522,530,548,571,611,626,635,641,663,690,695,704,712,727,729,752,770,792,793,804,850,875,883,903,923,929,936,948,955,980,994,1018 +0394_00113 20,50,64,94,128,153,207,228,256,281,312,321,332,364,382,390,391,414,472,480,508,514,516,522,530,548,571,611,626,635,641,661,692,695,704,712,727,729,752,770,792,793,804,850,875,883,903,923,929,936,948,955,980,994,1018 +0394_00114 15,19,20,21,25,26,67,89,94,107,114,117,134,148,153,207,214,217,218,222,227,245,255,267,269,285,308,315,343,351,357,390,399,401,405,480,492,499,506,508,510,511,513,517,538,558,559,566,567,586,602,603,618,626,698,715,727,742,772,806,819,836,840,890,898,936,948,968,995,996,1022 +0394_00115 7,15,73,89,94,97,120,122,144,153,170,240,260,311,326,327,328,330,346,347,352,369,373,393,435,461,488,540,548,562,626,651,660,681,719,726,768,772,782,787,790,791,804,806,826,847,874,909,920,936,948,964,974,977 +0394_00116 15,73,89,94,113,114,122,144,153,170,260,277,299,311,326,327,328,330,346,347,352,369,373,392,414,435,450,452,461,488,523,548,562,613,626,660,667,719,734,768,772,787,790,791,816,826,836,885,896,907,936,948,964,974,977,994 +0394_00117 15,18,26,37,73,89,109,144,153,170,222,226,311,326,327,328,330,345,346,347,350,352,356,369,435,461,466,499,503,507,508,542,562,571,575,577,626,656,660,698,719,720,769,772,787,791,812,855,908,936,948,964,974,977 +0394_00118 7,15,26,41,73,89,109,139,144,153,170,222,311,326,327,328,330,346,347,351,352,356,369,424,435,461,503,507,562,575,597,626,656,660,698,719,734,772,787,791,812,855,900,931,936,943,948,974,977 +0394_00119 15,20,26,51,72,89,94,129,193,209,222,237,252,285,300,306,337,347,350,374,380,388,392,410,421,438,458,482,499,508,518,530,543,549,575,609,626,630,643,656,683,685,703,715,727,730,756,760,761,762,772,778,785,804,814,819,849,851,855,873,886,900,948,976 +0394_00120 10,20,57,62,94,96,107,118,141,153,183,207,227,244,258,280,283,292,308,320,347,370,390,447,461,481,492,497,508,530,542,544,556,622,625,626,635,640,662,692,727,748,755,756,763,778,779,781,826,831,894,918,948,954,955,987,994,1019 +0394_00121 3,11,15,18,20,24,26,32,58,75,83,89,110,120,134,153,176,207,223,245,246,254,260,287,296,299,300,317,318,324,347,439,441,452,453,461,464,499,508,511,530,534,537,540,541,585,589,599,626,627,637,727,762,797,802,814,818,819,821,843,855,857,863,869,899,914,923,936,948,957,959,964,968,979,989,994,1008 +0394_00122 20,39,50,58,60,64,130,153,154,186,207,225,231,244,286,295,300,312,315,321,347,361,396,399,401,481,482,486,508,542,549,555,556,587,588,599,662,683,686,715,727,737,741,748,768,778,789,795,815,818,845,847,850,863,864,897,903,916,930,944,946,948 +0394_00123 20,48,57,62,84,116,124,138,153,167,171,207,228,231,267,278,283,292,306,308,320,347,358,364,370,390,429,430,437,439,497,508,514,522,530,540,542,544,556,565,600,625,626,627,629,640,648,662,663,698,700,718,727,729,734,746,747,748,755,763,770,778,781,787,826,833,850,857,877,881,907,911,918,919,921,932,948,954,994,1019 +0394_00124 10,20,48,50,57,62,64,94,107,118,124,140,141,153,154,167,171,207,244,283,292,306,308,312,320,324,347,358,361,370,403,447,461,481,492,497,508,530,542,544,556,558,565,599,622,625,626,635,640,647,648,662,663,692,698,727,748,755,756,763,778,781,826,850,857,864,894,918,948,954,959,994,1019 +0394_00125 15,20,26,32,44,89,90,91,96,97,100,106,125,134,135,144,148,151,153,164,189,207,212,214,222,226,232,233,236,241,245,254,264,266,272,335,369,370,372,383,389,396,416,438,451,460,461,479,486,487,492,495,499,500,501,503,508,510,516,540,550,573,603,622,630,654,662,670,711,714,720,727,739,759,762,763,778,786,797,802,805,812,836,848,853,868,875,893,896,900,911,917,923,936,948,963,968,971,973,974,975,978,983,994,998,1006,1018 +0394_00126 15,20,26,61,64,73,78,82,89,125,134,139,144,153,168,170,175,182,184,222,244,245,260,262,264,281,294,311,326,335,352,369,396,397,407,410,420,432,443,450,452,461,499,508,539,542,562,574,586,622,626,628,636,656,691,695,727,760,761,772,777,783,821,829,835,841,842,866,909,917,933,938,946,948,964,968,973,988,992,994,1017,1022 +0394_00127 3,4,5,8,15,16,26,34,60,89,108,109,113,129,140,142,146,153,158,170,177,193,194,201,207,222,231,241,260,261,285,297,335,347,381,389,396,410,431,435,461,462,492,496,499,504,508,515,546,572,573,586,590,600,603,626,656,663,711,712,719,722,726,733,744,746,765,771,772,782,789,795,802,806,813,819,822,836,850,855,866,887,910,917,934,935,936,948,953,964,988,993,1001,1010 +0394_00128 10,20,57,62,96,153,183,207,227,229,258,280,283,292,308,326,347,370,390,422,447,474,492,497,508,530,542,544,556,576,622,625,626,640,662,692,727,748,755,763,778,779,781,826,831,845,918,948,954,955,987,994,1019 +0394_00129 10,20,57,62,124,140,153,161,171,207,227,229,283,292,306,321,326,347,358,370,383,390,422,447,474,492,497,508,530,556,576,622,626,640,647,662,692,698,727,748,755,763,778,779,781,826,845,918,948,954,955,994 +0394_00130 7,10,29,35,57,64,67,79,89,129,132,134,150,152,153,176,206,207,216,219,245,264,266,269,292,294,309,313,347,364,390,405,451,481,487,492,506,508,524,525,543,552,564,566,582,588,600,615,622,626,652,654,662,672,674,681,686,692,704,763,781,791,802,819,860,887,889,900,914,933,936,954,984 +0394_00131 15,26,32,35,58,59,89,104,123,134,139,153,170,171,186,203,207,211,228,233,245,255,256,260,302,326,461,492,498,508,512,534,538,540,548,550,584,586,593,617,626,716,758,762,772,802,817,855,857,910,914,948,967,1009,1022 +0394_00132 15,21,26,29,53,54,58,87,89,106,134,208,222,243,245,268,286,309,310,366,439,443,448,455,461,463,486,498,499,508,534,593,626,645,656,679,710,716,722,729,757,772,775,836,848,854,879,882,895,936,948,965,973,974,1009,1018,1022 +0394_00133 15,19,26,54,58,89,93,129,134,217,218,222,232,245,266,274,313,347,370,384,396,443,448,455,461,473,474,499,501,506,507,508,534,538,566,593,626,647,656,695,712,716,759,772,816,838,844,854,883,893,896,918,936,948,965,968,973,1009,1018 +0394_00134 15,26,27,35,49,89,103,120,134,194,209,211,213,214,221,245,274,461,472,473,499,501,508,525,533,534,562,563,569,584,587,624,626,656,659,673,700,736,746,763,769,782,845,861,892,893,930,934,936,948,955,964,967,968,983 +0394_00135 15,26,82,84,89,134,138,163,177,178,197,218,220,222,245,282,295,313,332,396,426,427,461,469,499,508,514,529,534,544,553,571,585,604,626,656,661,753,765,771,772,782,790,819,829,848,849,873,904,936,948,981,993,1000 +0394_00136 15,26,44,72,81,89,134,160,179,180,222,245,253,256,260,262,343,398,428,461,494,495,499,508,518,526,534,552,566,567,583,584,585,602,603,608,626,627,729,754,772,783,804,855,862,864,906,948,973 +0394_00137 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0394_00138 5,15,20,24,33,62,89,94,101,114,125,153,195,196,207,225,228,231,283,296,309,312,370,390,427,428,437,449,454,460,461,466,480,508,515,535,580,597,625,626,655,683,704,727,729,738,757,770,778,821,826,836,850,854,861,868,918,936,943,948,964,974,994,1000,1003 +0394_00139 15,20,21,24,48,62,89,94,101,118,128,130,153,203,207,225,228,231,283,292,323,390,401,428,437,454,466,480,508,519,530,549,625,626,627,683,685,688,690,717,727,729,752,760,770,778,826,836,844,850,854,898,899,936,948,964,967,994,1004 +0394_00140 20,25,50,64,91,94,116,144,153,154,159,186,190,200,207,228,231,256,281,305,310,312,328,364,371,373,384,390,437,450,464,480,481,508,514,530,606,626,629,635,664,715,727,729,733,737,752,770,771,778,779,787,821,850,864,884,970,976,984,999,1019 +0394_00141 15,18,20,26,58,78,86,89,94,96,115,134,139,140,142,145,153,197,210,214,222,245,251,277,278,298,308,319,326,350,355,359,421,430,454,468,473,487,491,499,500,508,517,550,557,583,587,611,626,635,640,663,689,698,737,739,757,762,772,781,785,792,850,855,897,898,925,930,948,968,992,1007,1019,1022 +0394_00142 20,50,62,64,74,94,101,107,111,113,118,137,141,153,154,159,207,231,242,256,281,283,300,312,315,343,348,352,362,371,384,390,409,424,449,460,479,480,481,508,514,530,595,596,626,635,648,704,727,729,752,778,779,787,826,842,850,864,884,893,914,915,940,941,948,951,972,976,983,994,1019 +0394_00143 20,38,49,64,73,89,115,144,153,170,173,207,208,231,234,258,262,280,301,307,311,326,327,330,346,347,369,373,390,393,419,423,429,435,437,451,461,486,508,517,530,536,537,562,614,625,626,642,660,671,689,691,719,727,737,757,762,787,791,850,896,908,936,948,974,977,998 +0394_00144 10,15,120,132,134,237,283,304,315,342,360,371,376,401,405,441,514,516,526,555,574,575,719,811,817,850,898,931,948,980,981,983,1012,1022 +0394_00145 20,62,94,97,107,122,134,153,207,250,251,270,281,283,285,310,311,366,497,508,516,530,550,556,558,602,620,626,640,662,673,676,727,733,734,739,755,757,778,781,819,826,842,918,947,948,968,970,989,994,1007 +0394_00146 20,50,62,64,124,138,140,153,154,171,207,272,283,306,312,338,347,358,361,370,387,423,434,481,497,508,511,526,530,536,556,558,575,599,627,640,662,700,727,748,755,778,781,826,827,833,850,864,888,916,918,919,948,994 +0394_00147 20,50,62,64,138,140,153,154,163,170,207,231,251,283,306,312,346,347,361,370,387,423,481,497,508,530,556,558,575,599,603,624,636,640,645,655,662,727,748,755,778,826,833,850,864,918,919,948,990,994,1016 +0394_00148 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,662,727,734,755,778,781,826,871,918,927,948,994,1007 +0394_00149 15,24,26,35,47,89,99,134,153,186,205,225,239,244,245,256,260,265,280,291,320,323,339,341,346,347,350,367,390,424,451,461,467,499,508,526,534,558,603,626,656,663,678,695,707,712,717,719,771,780,791,813,819,855,866,869,883,885,894,906,930,935,936,947,948,949,974,988,994,1015 +0394_00150 14,15,20,26,35,45,60,64,72,73,89,106,144,153,161,170,179,191,193,220,222,240,253,257,260,285,303,307,311,326,327,330,333,346,347,361,368,369,384,415,430,435,460,461,482,499,507,517,557,562,570,571,573,579,585,592,620,626,628,648,651,656,660,663,683,686,698,706,708,712,719,757,762,772,787,791,797,804,836,840,845,850,852,861,896,936,948,964,974,977,988,999,1014,1018,1022 +0394_00151 14,15,20,26,35,45,60,64,73,89,92,144,145,153,161,170,173,179,191,193,220,222,240,257,260,265,285,303,307,311,323,326,327,330,333,344,346,347,352,361,368,369,373,378,384,390,428,430,435,436,445,460,461,467,475,482,494,499,507,517,562,571,573,576,592,608,626,628,648,651,656,660,663,686,698,706,712,719,734,757,760,762,770,772,787,791,797,804,836,840,850,852,883,896,936,948,964,974,977,979,989,999,1014,1018,1022 +0394_00152 2,15,19,33,62,67,70,89,96,108,116,124,125,134,139,144,145,153,175,187,207,214,237,242,245,248,254,256,260,264,270,283,288,293,303,316,320,324,340,364,371,394,402,415,421,438,449,453,458,461,464,465,487,494,508,515,524,534,547,550,551,573,588,619,624,646,654,662,663,677,686,724,726,737,757,769,772,778,783,791,798,799,802,803,809,826,832,836,869,881,891,898,906,948,968,991,994,1008 +0394_00153 11,13,15,25,26,32,35,44,53,60,89,91,98,99,115,128,134,144,146,151,153,170,173,210,214,215,216,219,222,227,232,252,259,260,269,274,280,285,288,311,319,320,326,330,347,379,381,382,385,400,426,435,437,439,456,461,467,471,473,477,483,492,499,514,517,540,547,562,566,591,592,603,605,608,626,651,662,685,698,709,719,727,730,739,746,757,772,776,782,787,791,797,804,816,818,822,829,832,858,863,873,883,936,939,948,962,964,968,974,983,989 +0394_00154 11,13,15,25,26,39,44,53,60,73,83,89,91,99,102,111,115,131,134,144,146,153,170,173,214,215,222,240,246,252,260,261,269,274,280,284,285,288,311,326,327,330,332,336,343,346,347,369,381,384,394,400,426,435,456,461,467,473,478,492,499,514,517,524,538,540,547,562,566,576,592,596,603,608,626,651,660,672,685,704,719,728,739,740,746,757,772,780,782,786,787,791,804,818,822,832,873,890,914,917,936,948,950,964,968,974,993,1001,1004,1017,1020 +0394_00155 14,15,20,26,35,60,73,76,80,89,115,116,120,122,153,154,170,207,222,224,231,240,257,260,261,284,285,311,326,327,330,346,347,363,368,369,386,390,420,430,435,442,456,460,461,462,479,499,517,534,550,562,569,571,573,600,601,606,626,629,634,651,653,656,660,690,705,706,719,737,746,762,769,772,787,791,804,819,829,835,836,850,852,867,874,879,920,936,948,964,974,1011,1014 +0394_00156 3,15,26,32,60,64,67,73,87,89,93,128,134,153,170,189,201,207,222,231,245,259,260,283,285,288,292,311,326,327,330,336,346,347,359,369,392,399,414,416,426,435,437,440,453,461,462,471,480,485,492,499,508,517,540,545,549,562,566,571,591,609,613,626,637,639,640,660,679,697,698,719,734,736,746,765,772,773,778,780,787,791,802,803,819,829,832,851,861,862,873,886,934,936,948,949,952,963,964,974,983,994,1022 +0394_00157 19,20,35,55,62,89,151,153,156,162,165,170,173,260,283,311,326,327,330,345,346,347,369,370,383,430,435,459,461,467,497,508,530,556,597,608,626,640,651,656,662,719,727,734,748,755,760,762,770,778,781,785,787,791,813,826,857,873,883,889,903,907,909,918,931,936,939,948,968,974,982,994 +0394_00158 1,15,16,20,25,26,62,89,92,94,109,129,134,136,141,148,163,171,202,211,220,222,237,304,353,451,461,484,499,508,514,515,526,531,536,539,541,551,576,581,603,626,645,652,671,693,706,716,724,727,743,744,762,772,800,801,803,822,829,850,855,948,951,970,987,1022 +0394_00159 4,20,61,62,94,112,144,153,157,230,264,266,283,298,305,347,373,391,409,430,434,452,480,508,544,556,565,626,640,662,727,755,767,778,781,782,797,826,860,915,948,994 +0394_00160 4,20,62,94,112,144,153,157,270,283,298,311,347,373,374,391,430,434,479,480,508,520,544,556,626,636,662,668,727,755,767,768,778,781,826,860,937,948,994 +0394_00161 6,15,16,26,38,83,89,113,123,125,134,148,152,164,178,197,201,207,220,222,235,237,245,261,324,343,395,461,485,487,499,503,508,513,534,540,548,584,593,604,609,626,644,694,717,735,749,760,778,787,802,823,834,849,855,882,890,906,932,935,936,948,959,968,988,991,997,1009,1018,1021 +0394_00162 15,17,20,26,89,101,120,134,140,151,201,220,233,240,268,278,285,287,307,339,347,349,353,355,367,380,401,412,419,433,441,486,492,499,508,511,515,542,585,626,640,641,650,652,676,680,712,717,727,744,749,755,762,763,767,819,829,833,836,843,850,907,914,947,948,951,958,962,968,1004 +0394_00163 4,5,14,15,20,26,35,45,60,64,82,89,92,106,144,145,153,158,161,170,179,191,193,220,222,242,257,260,265,285,303,307,330,333,336,344,347,350,352,361,368,369,372,373,378,384,399,430,435,436,445,460,461,475,482,486,499,506,507,517,547,555,562,571,573,592,626,628,648,651,656,660,663,683,686,698,706,711,712,719,757,762,772,782,785,787,791,797,804,813,816,836,840,850,852,887,896,936,948,964,973,974,977,979,993,994,999,1014,1018,1022 +0394_00164 15,19,20,26,27,35,44,50,73,76,89,90,93,94,95,96,97,134,139,140,145,151,153,161,171,176,201,206,212,214,218,219,220,222,226,237,266,274,289,298,300,339,344,347,362,369,394,400,421,428,468,469,473,474,481,487,499,508,512,517,544,550,590,607,617,635,636,646,656,662,663,686,695,707,714,716,727,733,739,759,762,771,772,777,817,819,862,887,897,898,945,948,956,959,965,968,970,991,1004,1014,1019 +0394_00165 14,15,18,20,26,27,35,40,71,72,73,80,89,94,115,134,135,141,163,179,193,205,206,222,244,245,250,260,261,274,282,285,289,304,321,347,367,377,384,394,399,401,463,466,473,488,495,499,508,510,537,545,550,551,570,572,620,626,629,636,640,656,661,676,678,712,717,727,733,737,741,745,747,762,763,765,768,772,780,788,819,825,828,836,843,850,855,902,916,931,936,947,948,951,964,968,978,1009,1014 +0394_00166 14,15,20,26,27,35,40,71,72,73,80,89,94,134,141,161,169,179,193,206,215,222,238,245,250,252,253,261,268,274,282,285,289,304,347,365,367,377,384,385,399,401,443,466,473,483,495,499,508,510,537,540,550,551,570,572,604,620,626,629,636,640,656,674,676,678,695,712,717,727,733,737,741,745,747,755,762,763,768,772,788,819,825,836,850,855,902,916,931,936,947,948,964,968,978,1009,1014 +0394_00167 7,14,15,20,25,26,35,39,40,45,53,58,71,72,73,89,94,115,134,141,179,191,193,206,222,225,245,250,261,274,285,304,333,347,367,384,399,401,406,419,454,463,492,499,502,508,509,510,517,537,547,550,551,570,572,604,608,618,620,626,640,656,657,676,712,717,727,733,737,741,745,762,763,768,772,788,819,825,836,837,847,850,854,855,873,892,902,931,936,947,948,964,968,978,995,997,1007,1014 +0394_00168 8,15,20,26,51,60,75,89,94,123,125,127,134,146,153,159,170,198,207,211,214,222,241,245,246,254,260,285,288,325,326,347,351,359,360,363,381,400,425,435,453,461,471,492,499,507,508,511,531,562,566,568,573,603,606,607,609,626,635,640,651,671,677,682,685,692,698,710,712,719,727,763,772,790,797,802,804,807,822,847,851,872,879,884,897,934,936,946,948,952,964,974,981,994,995,1006,1016,1022 +0394_00169 3,10,15,18,20,26,27,35,60,73,89,94,95,96,115,117,134,135,140,145,151,161,177,205,212,220,222,244,245,250,260,266,274,283,285,289,298,302,321,329,347,349,394,401,411,421,463,472,473,487,488,495,499,508,526,527,545,550,570,572,626,636,656,661,678,695,707,727,747,762,763,765,772,780,817,819,828,843,877,878,897,898,916,936,948,951,954,964,968,973,991,1009,1014 +0394_00170 3,10,14,15,18,20,26,35,54,60,73,89,94,95,96,106,115,134,135,140,142,145,151,161,179,184,193,198,205,212,220,222,245,250,260,263,285,289,298,321,347,384,394,401,421,423,463,487,488,499,508,513,526,540,545,550,570,626,636,646,656,678,686,696,698,707,727,762,763,765,772,775,780,790,819,828,878,880,897,898,916,922,948,951,964,968,991,998,1009,1014 +0394_00171 12,15,20,55,62,89,95,96,101,104,134,145,147,153,178,207,220,270,272,282,302,317,323,326,328,345,364,410,421,458,474,487,508,528,530,550,563,568,582,588,608,626,640,696,727,732,743,767,772,786,802,851,922,941,948,950,961,968,984,997,1013,1017,1020,1022 +0394_00172 1,13,15,20,25,26,44,53,60,89,99,115,134,144,184,205,214,222,236,269,274,280,282,285,288,338,342,351,400,423,438,458,473,492,499,508,540,547,566,615,618,626,633,690,696,698,727,744,757,762,772,782,793,818,822,843,857,874,936,948,968 +0394_00173 7,13,15,21,25,26,49,60,88,89,99,117,121,134,148,207,214,222,230,236,245,255,285,288,308,315,343,351,357,390,399,470,492,499,508,513,547,566,567,603,618,626,654,694,698,727,742,764,772,782,802,806,816,877,884,898,948,949,968,1022 +0394_00174 1,15,20,26,60,67,89,93,134,201,222,236,245,282,285,288,314,338,342,399,414,416,423,440,453,485,492,499,508,540,566,609,615,618,633,637,639,641,679,697,698,727,744,746,762,765,772,780,843,851,857,948,949,963,1022 +0394_00175 10,20,25,48,49,57,62,64,78,124,140,153,154,163,167,171,207,225,227,229,231,283,292,306,308,312,324,326,347,358,361,370,390,399,422,429,447,473,474,480,481,492,497,508,514,530,542,544,556,565,576,599,622,625,626,640,647,648,662,663,692,698,727,748,755,763,778,779,802,826,845,850,857,904,918,948,954,955,992,994,1002,1019 +0394_00176 20,39,49,87,93,148,153,157,167,180,183,194,207,228,231,256,259,261,278,292,302,341,370,427,481,508,516,525,527,556,596,620,627,642,659,673,684,698,704,727,739,756,762,778,797,802,833,850,915,917,948,960,987,1017 +0394_00177 10,20,48,50,57,62,64,124,140,153,154,163,167,171,207,227,229,283,292,306,308,312,324,326,347,358,361,370,390,422,447,474,481,492,497,508,530,542,544,556,558,565,576,599,622,625,626,640,647,648,662,663,692,698,727,748,755,763,778,779,826,845,850,857,864,918,948,954,955,994,1019 +0394_00178 10,14,15,20,26,27,35,60,68,73,80,89,96,134,141,142,161,169,174,179,193,213,215,220,222,238,250,252,253,260,261,268,272,274,282,285,289,300,304,347,377,384,385,401,410,443,473,482,488,495,499,502,505,508,549,550,551,572,604,636,656,666,674,678,686,695,703,712,717,727,737,741,746,747,755,762,768,772,778,785,797,808,812,819,825,841,850,852,855,867,916,948,968,980,1009,1013,1014 +0394_00179 10,20,48,50,57,62,64,101,124,137,140,153,154,163,167,171,186,207,227,229,283,292,295,306,308,312,324,326,347,358,361,370,390,396,422,447,474,481,492,497,508,530,542,544,556,558,565,576,588,599,622,625,626,640,647,648,662,663,692,698,727,741,748,755,763,778,779,826,845,850,857,864,897,918,948,954,955,994,1019 +0394_00180 10,20,48,50,57,62,64,101,124,137,140,153,154,167,171,186,207,227,229,254,283,292,295,306,308,312,321,324,326,347,358,370,390,396,422,447,474,481,492,497,508,530,542,544,556,565,576,588,622,625,626,640,647,648,662,663,692,698,727,741,748,755,763,778,779,781,826,845,850,857,864,897,918,948,954,955,994,1019 +0394_00181 10,20,48,50,57,62,64,101,124,137,140,153,154,163,167,171,186,207,227,229,283,292,295,306,308,312,324,326,347,358,361,370,390,396,422,447,474,481,492,497,508,530,542,544,556,558,565,576,588,599,622,625,626,640,647,648,662,663,692,698,727,741,748,755,763,778,779,826,845,850,857,864,897,918,948,954,955,994,1019 +0394_00182 10,20,48,50,57,62,64,101,124,137,140,153,154,167,171,186,207,227,229,254,283,292,295,306,308,312,321,324,326,347,358,370,390,396,422,447,474,481,492,497,508,530,542,544,556,565,576,588,622,625,626,640,647,648,662,663,692,698,727,741,748,755,763,778,779,781,826,845,850,857,864,897,918,948,954,955,994,1019 +0394_00183 10,20,48,50,57,62,64,124,140,153,154,167,171,186,207,227,229,283,292,295,306,308,312,321,324,326,347,358,361,370,390,396,422,447,474,481,492,497,508,522,530,542,544,556,565,576,586,588,599,611,622,625,626,640,647,648,662,663,692,698,715,727,741,748,755,763,778,779,781,804,826,845,850,857,864,897,918,948,954,955,994,1019 diff --git a/processed_data/0394/0394_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0394/0394_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..d7eb719da --- /dev/null +++ b/processed_data/0394/0394_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 83,144,670,948 +0394_00002 141,207,481,802,843,948 +0394_00003 62,77,153,182,481,913,948,994 +0394_00004 153,326,626,666,700,718,833,916,919,932,948 +0394_00005 54,57,89,134,139,153,163,256,266,282,302,319,334,347,369,374,387,395,405,412,461,481,498,508,524,555,588,626,638,680,692,693,719,743,763,771,785,791,796,887,891,894,919,925,936,954,968,974 +0394_00006 20,138,153,197,207,301,387,390,434,508,511,526,575,626,627,700,707,727,754,779,831,833,919,932,948 +0394_00007 19,52,62,63,74,153,186,207,231,280,323,347,388,430,541,549,569,672,731,778,826,880,915,948,994,1017 +0394_00008 15,20,33,38,50,64,73,89,94,119,134,153,170,218,222,234,245,302,309,310,311,312,323,326,327,330,346,347,369,392,425,430,435,438,461,468,480,491,508,515,562,602,613,626,630,638,660,689,719,724,727,734,760,772,776,785,787,791,850,896,924,933,936,974,994,1022 +0394_00009 15,20,38,73,86,89,94,97,122,134,153,170,207,218,225,234,245,256,302,309,310,311,312,323,326,327,330,346,347,369,419,425,435,438,461,474,480,491,508,562,602,625,626,630,660,719,724,727,729,760,772,776,786,787,791,802,850,858,867,896,924,933,936,948,974,979,994,1022 +0394_00010 4,5,15,64,81,88,89,134,144,151,153,158,170,171,207,270,281,292,311,321,326,347,372,379,380,422,435,461,506,515,522,549,550,574,576,624,626,666,705,706,709,711,712,719,778,782,786,787,813,836,887,894,915,916,925,936,937,948,964,968,973,977,979,993,994 +0394_00011 57,138,153,345,347,430,508,540,600,626,692,700,713,718,763,769,822,833,854,877,919,932,948,954,994 +0394_00012 54,57,84,138,142,153,207,267,292,320,326,347,390,422,429,430,474,508,540,576,600,626,700,718,734,763,779,833,845,877,911,919,921,932,948,954,955,994 +0394_00013 62,153,165,186,207,231,254,298,314,387,589,701,778,826,866,900,948,977,994,1006,1017 +0394_00014 62,69,146,153,354,363,483,658,778,808,826,887,915,948,994 +0394_00015 20,62,94,101,107,118,141,153,185,207,225,231,250,283,441,481,508,626,635,679,727,778,826,870,948,994 +0394_00016 20,138,146,153,320,387,423,508,530,575,606,700,718,727,778,833,859,919,924,932,944,948 +0394_00017 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0394_00018 45,77,92,139,146,153,236,413,481,508,609,626,913 +0394_00019 20,22,82,94,128,153,186,190,322,360,480,499,508,516,530,541,626,727,752,857,927,976 +0394_00020 20,94,107,153,167,207,312,326,508,516,576,590,602,626,673,727,739,762,797,931,948,960 +0394_00021 20,94,107,113,131,134,153,207,426,480,508,511,516,602,626,673,727,948,994,998 +0394_00022 20,54,94,107,118,141,153,207,231,250,261,284,480,481,508,530,626,635,727,730,752,984 +0394_00023 20,24,94,107,118,141,153,207,292,347,429,481,498,508,544,626,635,727,762,804,886,894,948,989 +0394_00024 15,63,109,134,157,201,245,439,506,508,524,526,662,675,686,727,741,849,940,948 +0394_00025 20,77,94,153,281,480,481,508,530,613,626,727,752,913 +0394_00026 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 +0394_00027 20,94,107,141,207,335,481,508,626,727,802,867,948 +0394_00028 2,15,89,126,173,224,333,369,373,386,409,479,495,540,598,626,662,818,820,836,936,964 +0394_00029 20,58,62,64,82,94,107,115,141,153,204,206,207,364,481,508,518,530,626,727,744,808,915,948,994,1001 +0394_00030 15,20,77,89,94,153,160,202,364,454,481,508,626,677,727,742,772,819,822,846,862,863,934,993 +0394_00031 2,20,52,89,93,94,134,141,144,153,207,270,352,367,398,420,451,480,481,508,511,516,626,635,656,667,670,711,725,727,739,744,802,820,840,906,917,948,952,977,1011 +0394_00032 20,62,74,82,153,182,186,207,231,292,323,347,388,397,430,476,498,508,530,544,640,727,797,850,860,906,915,948,950,994,1019 +0394_00033 20,62,104,153,157,186,207,283,323,343,347,391,430,444,464,508,511,544,556,565,596,640,698,727,755,762,778,797,802,826,860,948,994,1017 +0394_00034 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 +0394_00035 1,86,89,119,134,146,153,173,197,216,236,260,270,281,311,313,326,327,330,342,346,347,348,369,435,461,467,505,508,526,549,550,594,609,626,644,656,662,666,719,725,778,787,791,812,820,883,915,931,936,948,957,968,974,980,994,1022 +0394_00036 15,89,134,150,201,245,254,264,347,403,420,508,549,554,662,744,772,888,948,999,1022 +0394_00037 20,57,94,107,118,120,141,153,207,231,250,291,307,313,347,430,481,508,544,626,635,727,762,874,886,948,950,989 +0394_00038 20,94,107,131,153,207,220,231,261,349,357,383,480,508,516,530,602,626,673,727,752,855,948,994,998 +0394_00039 19,24,46,56,57,65,89,124,134,139,153,163,167,172,192,227,311,319,326,330,347,374,405,422,436,458,461,464,467,481,486,508,524,525,558,566,580,588,599,622,623,625,626,629,678,690,692,705,708,719,728,755,783,791,887,892,919,936,954,959,960,968,974,975,997 +0394_00040 10,19,24,56,57,65,89,127,134,139,153,167,172,176,192,311,319,326,327,330,336,347,374,395,405,416,422,436,457,461,464,467,481,486,508,524,525,558,566,580,588,599,625,626,629,678,690,692,694,719,728,755,783,791,798,887,919,936,954,959,960,968,974,975 +0394_00041 3,4,15,54,57,83,89,122,132,134,139,153,161,167,187,245,248,266,307,310,319,347,405,411,422,446,452,461,481,506,508,524,555,584,588,615,626,631,642,662,668,692,693,721,743,746,763,776,783,784,791,836,850,852,856,887,920,930,934,936,954,964,968,974,999,1009,1019 +0394_00042 19,44,54,56,57,65,89,124,134,139,153,163,172,192,256,266,302,319,347,369,374,405,412,422,436,461,464,481,486,508,524,525,555,558,566,580,588,625,626,629,638,678,680,690,692,693,719,728,743,755,763,783,785,791,796,887,919,936,954,959,960,968,974,975 +0394_00043 15,54,57,64,67,89,120,122,129,132,134,139,153,161,163,168,245,266,309,319,337,347,386,405,422,446,452,461,481,486,506,508,524,530,555,582,584,588,609,615,626,631,662,669,671,692,693,743,763,783,784,791,792,823,836,850,860,868,887,889,920,930,936,954,964,968,974,1019 +0394_00044 62,153,157,169,187,230,259,283,347,389,430,508,560,619,700,764,778,826,903,925,948,994 +0394_00045 20,94,144,305,508,516,626,627,656,727,762,785,938,948,977,998 +0394_00046 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0394_00047 20,94,107,141,199,207,241,406,481,508,544,626,727,750,802,948 +0394_00048 20,62,94,107,118,141,153,207,231,250,476,481,483,498,508,626,635,727,948,994 +0394_00049 40,207,292,295,802,876,915,948 +0394_00050 62,153,186,222,283,387,556,607,613,682,755,778,826,948,984,994 +0394_00051 62,69,153,197,363,744,808,915,948,980,994 +0394_00052 47,134,195,203,245,270,405,422,481,506,508,552,578,587,604,662,668,686,789,887,899,914,968 +0394_00053 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0394_00054 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0394_00055 20,39,49,94,107,141,153,172,207,231,235,247,261,298,349,383,427,470,480,481,508,512,516,527,530,602,626,635,673,727,739,752,779,802,823,852,917,948,952 +0394_00056 20,52,94,107,141,153,156,207,231,235,236,247,254,261,349,381,383,406,427,452,480,481,508,512,516,530,563,602,626,673,727,739,752,762,802,868,917,948,994,1024 +0394_00057 15,26,89,94,122,158,199,222,365,371,376,519,524,584,596,626,681,686,697,707,719,731,772,828,855,883,913,936,937,948,985 +0394_00058 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019 +0394_00059 15,20,21,40,44,61,73,76,86,89,93,94,114,120,123,129,134,143,147,153,172,186,237,245,246,260,308,314,328,346,347,353,364,380,404,414,422,435,438,442,461,470,476,480,492,494,508,513,515,518,519,526,532,540,563,570,626,640,650,654,676,681,706,727,736,760,766,782,789,799,810,820,827,874,875,899,907,928,929,941,943,944,948,968,974,987,1009 +0394_00060 20,47,81,134,146,301,385,393,405,437,458,508,580,585,640,687,722,727,762,858,890,902,948,968 +0394_00061 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0394_00062 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0394_00063 88,134,219,239,245,249,288,317,405,422,479,507,508,529,582,591,622,628,662,778,787,803,836,866,871,917,950,968,975 +0394_00064 8,15,26,44,56,57,62,72,89,111,129,134,159,197,220,245,270,271,307,326,328,337,343,346,353,367,395,417,435,466,467,481,508,510,515,517,518,540,547,573,577,578,585,599,600,626,640,644,661,677,681,683,693,699,719,731,732,763,789,809,814,820,827,834,836,841,887,888,891,897,920,936,943,948,956,968,977,1000,1012 +0394_00065 11,17,20,21,23,26,39,79,89,122,131,134,138,148,151,153,160,170,211,212,219,220,226,303,304,328,347,353,369,383,396,399,405,435,442,461,472,473,508,511,515,544,550,555,562,592,605,626,640,648,660,676,683,698,705,709,712,719,724,727,752,785,787,790,791,825,850,869,897,905,936,946,951,952,968,974,1011 +0394_00066 11,15,20,57,97,102,134,151,177,207,252,347,351,352,367,482,497,502,508,533,596,640,727,755,773,802,948 +0394_00067 6,17,20,92,94,101,121,134,151,157,164,211,226,266,339,347,353,369,372,381,385,456,476,481,490,508,515,520,550,626,635,640,676,701,705,727,728,734,779,804,832,897,947,951,968,996,1023 +0394_00068 62,101,153,186,207,225,231,283,323,596,643,662,682,778,802,826,859,948,994 +0394_00069 62,153,186,222,283,384,387,556,607,613,682,755,778,781,826,948,994 +0394_00070 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0394_00071 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0394_00072 20,39,47,49,94,107,144,153,179,189,207,296,316,347,367,508,516,527,564,602,626,673,700,727,739,753,777,802,842,945,948,970,977,987 +0394_00073 20,62,124,138,153,171,182,207,225,272,306,338,347,387,423,434,497,508,511,526,530,536,575,627,640,700,727,747,827,833,888,915,916,919,948,994 +0394_00074 20,138,153,171,187,207,272,273,297,347,387,423,434,497,508,511,526,564,575,579,627,700,727,802,827,833,863,888,916,919,923,948,975 +0394_00075 20,93,94,107,141,153,188,207,231,259,261,298,322,341,363,382,396,427,437,447,449,481,504,508,512,516,602,620,626,635,642,659,673,698,704,727,739,756,778,833,853,881,915,917,948,952,992,1015 +0394_00076 10,20,30,62,141,153,171,207,231,283,325,332,347,370,428,430,476,497,508,530,542,544,591,620,640,727,778,797,826,850,915,945,948,950,969,994,1002,1015,1019 +0394_00077 84,86,153,265,296,326,347,430,533,605,626,666,754,776,867 +0394_00078 9,15,20,73,84,89,96,97,134,145,156,175,237,245,257,267,272,280,282,294,320,364,371,380,437,438,442,453,464,469,487,503,504,506,508,524,531,534,540,542,550,555,619,650,652,654,662,663,664,677,686,689,714,722,729,741,762,772,786,797,850,854,867,881,900,948,968 +0394_00079 15,17,26,36,61,73,89,106,115,121,153,161,165,170,240,260,311,319,326,327,329,330,336,346,347,369,435,461,492,499,508,514,562,573,579,626,651,657,660,678,719,787,791,804,819,836,871,911,936,948,964,974,1022 +0394_00080 15,24,26,46,61,73,89,92,104,106,109,120,153,161,170,222,235,240,249,260,311,326,327,330,345,346,347,350,369,391,435,439,461,471,499,508,514,562,626,645,651,660,699,719,787,791,804,819,855,864,936,948,974,1022 +0394_00081 11,15,26,56,61,65,73,87,89,106,153,161,170,218,219,240,260,311,326,327,330,346,347,369,411,435,461,496,499,533,546,562,573,609,626,651,652,660,689,690,719,726,769,787,791,804,861,886,936,948,964,974,1019,1022,1023 +0394_00082 15,18,20,26,58,73,89,106,115,129,153,161,170,222,232,238,240,260,311,326,327,330,346,347,350,354,364,369,409,435,450,461,499,562,588,621,626,651,660,692,719,754,772,787,791,804,855,865,873,898,936,948,956,964,974,1018,1022 +0394_00083 15,26,61,65,73,89,99,106,139,153,161,168,170,222,240,260,311,326,327,330,346,347,369,382,418,435,461,463,471,499,516,533,550,562,573,578,586,609,626,651,660,719,772,787,791,796,804,823,835,936,948,964,974,991,1019,1022 +0394_00084 15,25,26,57,58,73,89,109,131,139,144,153,170,176,222,285,311,326,327,330,346,347,369,435,461,503,507,562,575,626,656,660,671,677,698,701,719,772,787,791,812,829,850,872,900,915,924,936,937,946,948,974,977,1013 +0394_00085 15,26,36,73,89,106,110,144,153,170,192,224,310,311,326,327,330,346,347,369,373,435,461,471,499,530,562,574,618,624,626,635,639,656,660,709,712,719,769,787,791,819,861,869,936,948,974,977,978,987 +0394_00086 5,15,26,35,73,80,89,153,170,181,228,240,260,285,311,326,327,330,346,347,369,435,448,461,488,499,510,517,553,562,620,626,651,660,719,787,791,800,804,819,836,840,843,883,896,931,936,948,961,974,987 +0394_00087 20,138,142,153,171,187,207,218,254,272,273,299,347,387,423,434,497,508,511,526,541,575,627,665,700,727,802,821,827,833,863,888,916,919,948,994,1004 +0394_00088 20,45,50,51,57,62,64,80,92,93,101,145,146,153,159,172,186,207,222,225,231,236,243,270,281,283,295,312,314,321,360,366,372,390,392,396,447,479,481,508,514,516,530,588,609,626,709,727,729,734,741,759,778,795,808,811,826,832,850,897,948,969,970,976,977,994,1019 +0394_00089 20,45,50,51,62,64,80,92,93,98,101,137,145,146,153,154,159,172,186,207,236,243,256,259,270,281,283,295,312,314,360,366,372,390,392,396,447,479,481,507,508,514,516,530,588,609,626,635,709,727,729,734,741,778,795,808,826,850,864,920,947,948,970,976,977,994,1019 +0394_00090 4,5,15,20,26,40,42,52,57,73,83,89,94,115,125,134,153,163,193,215,221,226,236,277,343,347,353,362,370,378,388,434,437,452,454,455,457,461,467,499,515,531,540,549,550,574,614,626,639,640,655,663,669,677,696,698,702,705,711,732,744,746,757,762,769,774,778,779,780,786,850,856,882,888,908,932,935,938,942,948,963,968,1012 +0394_00091 15,17,20,21,26,45,60,80,89,92,95,99,146,153,159,207,222,228,231,236,237,243,270,285,288,300,314,316,343,360,366,371,470,479,492,494,499,508,516,530,553,554,586,594,609,618,621,626,633,655,670,688,690,707,719,726,727,758,762,772,795,802,806,807,808,818,861,882,916,917,918,936,948,961,964,970 +0394_00092 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +0394_00093 15,25,26,79,89,93,104,105,134,139,148,153,170,183,196,207,216,218,220,231,245,256,283,288,289,312,326,332,336,347,354,369,375,399,417,435,461,486,488,499,502,508,513,517,523,538,547,555,562,599,626,634,660,682,700,708,719,782,783,785,787,791,802,807,816,855,882,883,899,910,934,936,946,948,968,973,974,979,994,1000,1004 +0394_00094 15,26,79,89,96,97,104,106,112,134,139,153,159,170,196,207,216,220,223,256,274,283,326,336,347,369,375,388,399,414,435,451,461,486,494,499,523,538,547,555,562,584,602,625,626,634,660,682,704,708,719,722,729,766,767,782,783,785,787,791,801,802,816,819,850,855,858,867,873,882,883,896,910,915,926,936,948,968,974,979,994,1000 +0394_00095 20,64,72,73,82,89,134,153,160,170,173,183,189,207,231,240,242,260,311,326,327,330,346,347,361,369,430,435,461,467,547,562,576,608,613,626,651,656,660,663,698,719,734,757,760,762,770,773,781,785,787,789,791,802,804,850,883,907,909,931,936,948,974,994 +0394_00096 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0394_00097 20,26,50,57,62,64,77,96,153,163,183,186,207,221,227,258,292,312,321,332,345,347,390,396,430,442,444,447,463,481,492,508,522,530,544,586,588,611,622,625,626,640,683,692,715,723,727,741,763,779,784,804,831,850,897,913,948,954,955,987,994,1004,1019 +0394_00098 20,26,50,57,62,64,77,108,124,153,161,163,171,186,207,221,292,306,312,321,326,332,345,347,383,396,422,430,434,442,447,463,481,492,497,508,522,530,576,586,588,611,622,626,640,647,692,698,715,723,727,741,763,784,804,850,897,913,948,954,994,1004 +0394_00099 15,20,25,37,58,68,94,134,153,154,220,223,228,233,323,332,347,356,406,412,441,444,451,457,472,479,480,506,508,518,530,539,556,626,644,662,668,689,692,727,739,742,745,752,756,786,802,847,850,946,948 +0394_00100 20,58,63,64,73,87,89,111,118,144,153,163,166,170,173,193,207,208,231,234,256,269,280,311,326,327,330,343,346,347,369,373,398,419,430,435,437,447,451,461,491,507,530,537,562,570,625,626,656,660,698,719,757,762,787,791,795,802,809,835,847,850,855,875,887,896,936,946,948,967,974,977,979,985,999,1000,1010 +0394_00101 20,62,73,89,119,147,153,170,178,223,283,311,326,327,330,332,346,347,369,392,422,430,435,461,497,508,530,558,562,607,613,626,660,719,727,734,751,768,778,785,787,791,810,826,936,948,974,994,1005 +0394_00102 20,26,50,57,62,64,77,96,153,154,163,183,207,221,227,258,283,292,308,312,347,361,370,390,430,442,444,447,463,481,492,497,508,530,542,544,556,558,599,622,625,626,640,662,692,727,748,755,763,778,779,784,826,831,850,864,913,918,948,954,955,987,994,1019 +0394_00103 20,26,50,57,62,64,77,124,140,153,154,163,171,202,207,221,283,292,306,312,321,326,347,358,361,370,430,442,447,463,481,492,497,508,530,556,558,576,599,622,626,640,647,662,692,698,727,732,748,755,763,778,784,789,826,850,864,913,918,948,954,991,994 +0394_00104 1,4,15,66,70,134,151,175,190,194,347,368,370,374,386,393,433,439,515,524,549,565,630,686,705,778,800,902,943,948,968,987,1018,1022 +0394_00105 13,15,26,73,89,111,113,129,134,186,202,218,268,282,323,359,461,472,499,524,550,620,626,640,676,686,733,827,829,889,947,948,957,968,986 +0394_00106 17,20,28,31,49,68,92,96,134,151,153,159,207,211,292,347,417,427,428,446,467,487,508,516,534,544,550,553,560,727,796,802,826,841,948,968,978,998,1006 +0394_00107 15,20,27,134,175,180,194,201,207,218,220,237,244,301,322,332,390,402,404,439,483,508,524,528,569,626,727,802,821,825,846,893,909,948,956,987,1022 +0394_00108 20,94,116,128,153,186,207,228,231,249,256,281,312,364,390,396,437,443,480,508,514,516,522,530,571,586,611,626,629,635,712,715,727,729,741,752,770,778,787,792,793,804,821,850,884,897,903,948,976,980,994 +0394_00109 15,20,26,44,89,94,134,167,193,204,207,222,237,245,255,279,285,296,317,378,388,416,422,436,478,482,499,508,511,519,540,570,617,626,656,661,664,676,703,727,730,745,772,778,779,802,852,855,863,883,900,901,948,968,975,981,982,1004 +0394_00110 20,50,51,62,64,89,94,128,134,153,172,178,207,209,223,234,245,254,283,309,312,318,332,345,391,400,422,441,452,478,480,481,496,497,508,515,530,531,540,557,620,626,727,731,752,759,776,778,797,817,826,840,850,948,968,974,976,994,1005,1008 +0394_00111 15,20,50,51,62,64,89,94,101,134,153,172,185,207,225,228,231,244,245,254,274,283,302,304,309,312,343,362,374,388,390,391,403,420,435,437,441,454,480,481,482,496,508,515,530,602,626,683,707,727,729,752,770,774,778,826,836,850,865,901,948,968,974,976,994 +0394_00112 20,50,64,94,128,153,207,228,256,281,312,321,332,364,382,390,391,414,472,480,508,514,516,522,530,548,571,611,626,635,641,663,690,695,704,712,727,729,752,770,792,793,804,850,875,883,903,923,929,936,948,955,980,994,1018 +0394_00113 20,50,64,94,128,153,207,228,256,281,312,321,332,364,382,390,391,414,472,480,508,514,516,522,530,548,571,611,626,635,641,661,692,695,704,712,727,729,752,770,792,793,804,850,875,883,903,923,929,936,948,955,980,994,1018 +0394_00114 9,15,20,25,26,49,72,76,85,87,89,94,97,114,134,141,148,153,207,211,222,233,245,255,282,285,315,316,317,346,351,357,362,390,399,413,467,469,480,499,508,511,513,517,557,566,585,586,603,610,613,626,634,704,727,736,755,766,768,772,774,819,822,836,849,860,936,948,968,1009,1019,1022 +0394_00115 7,15,73,89,94,97,120,122,144,153,170,240,260,311,326,327,328,330,346,347,352,369,373,393,435,461,488,540,548,562,626,651,660,681,719,726,768,772,782,787,790,791,804,806,826,847,874,909,920,936,948,964,974,977 +0394_00116 15,73,89,94,113,114,122,144,153,170,260,277,299,311,326,327,328,330,346,347,352,369,373,392,414,435,450,452,461,488,523,548,562,613,626,660,667,719,734,768,772,787,790,791,816,826,836,885,896,907,936,948,964,974,977,994 +0394_00117 15,18,26,37,73,89,109,144,153,170,222,226,311,326,327,328,330,345,346,347,350,352,356,369,435,461,466,499,503,507,508,542,562,571,575,577,626,656,660,698,719,720,769,772,787,791,812,855,908,936,948,964,974,977 +0394_00118 7,15,26,41,73,89,109,139,144,153,170,222,311,326,327,328,330,346,347,351,352,356,369,424,435,461,503,507,562,575,597,626,656,660,698,719,734,772,787,791,812,855,900,931,936,943,948,974,977 +0394_00119 15,20,26,51,72,89,94,129,193,209,222,237,252,285,300,306,337,347,350,374,380,388,392,410,421,438,458,482,499,508,518,530,543,549,575,609,626,630,643,656,683,685,703,715,727,730,756,760,761,762,772,778,785,804,814,819,849,851,855,873,886,900,948,976 +0394_00120 10,20,57,62,94,96,107,118,141,153,183,207,227,244,258,280,283,292,308,320,347,370,390,447,461,481,492,497,508,530,542,544,556,622,625,626,635,640,662,692,727,748,755,756,763,778,779,781,826,831,894,918,948,954,955,987,994,1019 +0394_00121 3,11,15,18,20,24,26,32,58,75,83,89,110,120,134,153,176,207,223,245,246,254,260,287,296,299,300,317,318,324,347,439,441,452,453,461,464,499,508,511,530,534,537,540,541,585,589,599,626,627,637,727,762,797,802,814,818,819,821,843,855,857,863,869,899,914,923,936,948,957,959,964,968,979,989,994,1008 +0394_00122 20,39,50,58,60,64,130,153,154,186,207,225,231,244,286,295,300,312,315,321,347,361,396,399,401,481,482,486,508,542,549,555,556,587,588,599,662,683,686,715,727,737,741,748,768,778,789,795,815,818,845,847,850,863,864,897,903,916,930,944,946,948 +0394_00123 20,48,57,62,84,116,124,138,153,167,171,207,228,231,267,278,283,292,306,308,320,347,358,364,370,390,429,430,437,439,497,508,514,522,530,540,542,544,556,565,600,625,626,627,629,640,648,662,663,698,700,718,727,729,734,746,747,748,755,763,770,778,781,787,826,833,850,857,877,881,907,911,918,919,921,932,948,954,994,1019 +0394_00124 10,20,48,50,57,62,64,77,94,107,124,140,141,153,154,167,171,207,283,292,306,308,312,324,347,358,361,370,403,447,481,492,497,508,530,542,544,556,558,565,599,622,625,626,640,647,648,662,685,692,698,715,727,747,748,755,763,776,778,781,789,826,850,857,861,864,897,918,948,954,959,994,1019 +0394_00125 15,20,26,32,44,89,90,91,96,97,100,106,125,134,135,144,148,151,153,164,189,207,212,214,222,226,232,233,236,241,245,254,264,266,272,335,369,370,372,383,389,396,416,438,451,460,461,479,486,487,492,495,499,500,501,503,508,510,516,540,550,573,603,622,630,654,662,670,711,714,720,727,739,759,762,763,778,786,797,802,805,812,836,848,853,868,875,893,896,900,911,917,923,936,948,963,968,971,973,974,975,978,983,994,998,1006,1018 +0394_00126 15,20,26,61,64,73,78,82,89,125,134,139,144,153,168,170,175,182,184,222,244,245,260,262,264,281,294,311,326,335,352,369,396,397,407,410,420,432,443,450,452,461,499,508,539,542,562,574,586,622,626,628,636,656,691,695,727,760,761,772,777,783,821,829,835,841,842,866,909,917,933,938,946,948,964,968,973,988,992,994,1017,1022 +0394_00127 7,15,24,26,34,39,47,53,55,60,76,81,87,89,97,146,153,193,207,212,222,231,241,260,261,285,307,321,322,337,347,351,365,381,385,386,407,413,435,452,461,474,492,493,495,499,514,546,553,603,618,626,647,656,666,685,693,701,706,711,719,729,741,759,762,772,774,782,789,802,809,819,851,855,860,885,888,896,907,924,936,946,948,953,958,963,964,976,986,995,1001,1012 +0394_00128 10,20,57,62,96,153,183,207,227,229,258,280,283,292,308,326,347,370,390,422,447,474,492,497,508,530,542,544,556,576,622,625,626,640,662,692,727,748,755,763,778,779,781,826,831,845,918,948,954,955,987,994,1019 +0394_00129 10,20,57,62,124,140,153,161,171,207,227,229,283,292,306,321,326,347,358,370,383,390,422,447,474,492,497,508,530,556,576,622,626,640,647,662,692,698,727,748,755,763,778,779,781,826,845,918,948,954,955,994 +0394_00130 7,10,29,35,57,64,67,79,89,129,132,134,150,152,153,176,206,207,216,219,245,264,266,269,292,294,309,313,347,364,390,405,451,481,487,492,506,508,524,525,543,552,564,566,582,588,600,615,622,626,652,654,662,672,674,681,686,692,704,763,781,791,802,819,860,887,889,900,914,933,936,954,984 +0394_00131 15,26,32,35,58,59,89,104,123,134,139,153,170,171,186,203,207,211,228,233,245,255,256,260,302,326,461,492,498,508,512,534,538,540,548,550,584,586,593,617,626,716,758,762,772,802,817,855,857,910,914,948,967,1009,1022 +0394_00132 15,21,26,29,53,54,58,87,89,106,134,208,222,243,245,268,286,309,310,366,439,443,448,455,461,463,486,498,499,508,534,593,626,645,656,679,710,716,722,729,757,772,775,836,848,854,879,882,895,936,948,965,973,974,1009,1018,1022 +0394_00133 14,15,25,26,54,58,66,89,129,134,181,197,217,222,245,274,291,295,313,347,448,461,464,473,499,501,508,534,593,620,626,646,648,649,656,682,692,696,764,772,820,846,847,854,875,893,912,919,936,943,948,964,965,968,970,973,1009,1018 +0394_00134 15,26,27,35,49,89,103,120,134,194,209,211,213,214,221,245,274,461,472,473,499,501,508,525,533,534,562,563,569,584,587,624,626,656,659,673,700,736,746,763,769,782,845,861,892,893,930,934,936,948,955,964,967,968,983 +0394_00135 15,26,82,84,89,134,138,163,177,178,197,218,220,222,245,282,295,313,332,396,426,427,461,469,499,508,514,529,534,544,553,571,585,604,626,656,661,753,765,771,772,782,790,819,829,848,849,873,904,936,948,981,993,1000 +0394_00136 15,26,44,72,81,89,134,160,179,180,222,245,253,256,260,262,343,398,428,461,494,495,499,508,518,526,534,552,566,567,583,584,585,602,603,608,626,627,729,754,772,783,804,855,862,864,906,948,973 +0394_00137 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0394_00138 5,15,20,24,33,62,89,94,101,114,125,153,195,196,207,225,228,231,283,296,309,312,370,390,427,428,437,449,454,460,461,466,480,508,515,535,580,597,625,626,655,683,704,727,729,738,757,770,778,821,826,836,850,854,861,868,918,936,943,948,964,974,994,1000,1003 +0394_00139 15,20,21,24,48,62,89,94,101,118,128,130,153,203,207,225,228,231,283,292,323,390,401,428,437,454,466,480,508,519,530,549,625,626,627,683,685,688,690,717,727,729,752,760,770,778,826,836,844,850,854,898,899,936,948,964,967,994,1004 +0394_00140 20,25,50,64,84,91,94,144,152,153,154,159,186,190,200,207,219,231,256,281,305,310,312,314,371,373,384,390,464,480,481,487,508,514,530,581,606,626,629,635,664,694,710,711,727,729,733,737,752,771,778,779,787,850,864,884,917,925,941,976,999,1019 +0394_00141 15,18,20,26,58,78,86,89,94,96,115,134,139,140,142,145,153,197,210,214,222,245,251,277,278,298,308,319,326,350,355,359,421,430,454,468,473,487,491,499,500,508,517,550,557,583,587,611,626,635,640,663,689,698,737,739,757,762,772,781,785,792,850,855,897,898,925,930,948,968,992,1007,1019,1022 +0394_00142 2,20,50,62,64,71,94,101,107,113,137,141,142,153,154,159,175,207,231,242,253,256,281,283,300,312,343,352,371,381,384,390,425,480,481,508,514,521,530,549,557,596,626,635,648,702,727,729,738,746,750,752,775,778,779,782,787,826,850,864,872,884,893,915,940,941,948,960,963,976,994,1019 +0394_00143 20,38,49,64,73,89,115,144,153,170,173,207,208,231,234,258,262,280,301,307,311,326,327,330,346,347,369,373,390,393,419,423,429,435,437,451,461,486,508,517,530,536,537,562,614,625,626,642,660,671,689,691,719,727,737,757,762,787,791,850,896,908,936,948,974,977,998 +0394_00144 10,15,120,132,134,237,283,304,315,342,360,371,376,401,405,441,514,516,526,555,574,575,719,811,817,850,898,931,948,980,981,983,1012,1022 +0394_00145 20,62,94,97,107,122,134,153,207,250,251,270,281,283,285,310,311,366,497,508,516,530,550,556,558,602,620,626,640,662,673,676,727,733,734,739,755,757,778,781,819,826,842,918,947,948,968,970,989,994,1007 +0394_00146 20,50,62,64,124,138,140,153,154,171,207,272,283,306,312,338,347,358,361,370,387,423,434,481,497,508,511,526,530,536,556,558,575,599,627,640,662,700,727,748,755,778,781,826,827,833,850,864,888,916,918,919,948,994 +0394_00147 9,20,50,62,64,138,140,153,154,163,172,207,231,283,306,312,347,361,367,370,376,387,399,423,481,497,503,508,530,556,558,575,599,603,636,640,662,727,748,755,778,826,831,833,836,850,864,918,919,948,981,989,994 +0394_00148 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,662,727,734,755,778,781,826,871,918,927,948,994,1007 +0394_00149 15,24,26,35,47,89,99,134,153,186,205,225,239,244,245,256,260,265,280,291,320,323,339,341,346,347,350,367,390,424,451,461,467,499,508,526,534,558,603,626,656,663,678,695,707,712,717,719,771,780,791,813,819,855,866,869,883,885,894,906,930,935,936,947,948,949,974,988,994,1015 +0394_00150 14,15,20,26,35,45,60,64,72,73,89,106,144,153,161,170,179,191,193,220,222,240,253,257,260,285,303,307,311,326,327,330,333,346,347,361,368,369,384,415,430,435,460,461,482,499,507,517,557,562,570,571,573,579,585,592,620,626,628,648,651,656,660,663,683,686,698,706,708,712,719,757,762,772,787,791,797,804,836,840,845,850,852,861,896,936,948,964,974,977,988,999,1014,1018,1022 +0394_00151 14,15,20,26,35,45,60,64,73,89,92,144,145,153,161,170,173,179,191,193,220,222,240,257,260,265,285,303,307,311,323,326,327,330,333,344,346,347,352,361,368,369,373,378,384,390,428,430,435,436,445,460,461,467,475,482,494,499,507,517,562,571,573,576,592,608,626,628,648,651,656,660,663,686,698,706,712,719,734,757,760,762,770,772,787,791,797,804,836,840,850,852,883,896,936,948,964,974,977,979,989,999,1014,1018,1022 +0394_00152 15,41,47,62,63,89,96,108,116,129,131,132,134,145,153,154,169,175,194,207,214,226,237,243,245,254,256,260,264,270,278,280,283,291,308,324,340,365,371,384,394,402,421,438,450,454,458,461,464,487,508,524,534,543,547,550,556,567,588,589,602,629,651,662,663,666,667,677,686,688,694,697,723,726,757,759,765,769,772,777,778,783,790,791,798,802,826,836,851,896,898,906,933,948,953,954,968,971,972,983,986,994,1008 +0394_00153 11,13,15,25,26,32,35,44,53,60,89,91,98,99,115,128,134,144,146,151,153,170,173,210,214,215,216,219,222,227,232,252,259,260,269,274,280,285,288,311,319,320,326,330,347,379,381,382,385,400,426,435,437,439,456,461,467,471,473,477,483,492,499,514,517,540,547,562,566,591,592,603,605,608,626,651,662,685,698,709,719,727,730,739,746,757,772,776,782,787,791,797,804,816,818,822,829,832,858,863,873,883,936,939,948,962,964,968,974,983,989 +0394_00154 11,13,15,25,26,39,44,53,60,73,83,89,91,99,102,111,115,131,134,144,146,153,170,173,214,215,222,240,246,252,260,261,269,274,280,284,285,288,311,326,327,330,332,336,343,346,347,369,381,384,394,400,426,435,456,461,467,473,478,492,499,514,517,524,538,540,547,562,566,576,592,596,603,608,626,651,660,672,685,704,719,728,739,740,746,757,772,780,782,786,787,791,804,818,822,832,873,890,914,917,936,948,950,964,968,974,993,1001,1004,1017,1020 +0394_00155 14,15,20,26,35,60,73,76,80,89,115,116,120,122,153,154,170,207,222,224,231,240,257,260,261,284,285,311,326,327,330,346,347,363,368,369,386,390,420,430,435,442,456,460,461,462,479,499,517,534,550,562,569,571,573,600,601,606,626,629,634,651,653,656,660,690,705,706,719,737,746,762,769,772,787,791,804,819,829,835,836,850,852,867,874,879,920,936,948,964,974,1011,1014 +0394_00156 3,15,26,32,60,64,67,73,87,89,93,128,134,153,170,189,201,207,222,231,245,259,260,283,285,288,292,311,326,327,330,336,346,347,359,369,392,399,414,416,426,435,437,440,453,461,462,471,480,485,492,499,508,517,540,545,549,562,566,571,591,609,613,626,637,639,640,660,679,697,698,719,734,736,746,765,772,773,778,780,787,791,802,803,819,829,832,851,861,862,873,886,934,936,948,949,952,963,964,974,983,994,1022 +0394_00157 7,20,35,55,62,78,89,92,138,153,181,240,260,269,283,286,311,326,327,329,330,345,347,370,377,411,430,435,445,459,461,467,493,497,508,512,530,555,556,590,597,626,640,662,680,711,719,727,745,748,755,758,762,778,781,791,813,826,842,862,869,870,873,889,906,918,936,948,974,982,994,1021 +0394_00158 1,15,16,20,25,26,62,89,92,94,109,129,134,136,141,148,163,171,202,211,220,222,237,304,353,451,461,484,499,508,514,515,526,531,536,539,541,551,576,581,603,626,645,652,671,693,706,716,724,727,743,744,762,772,800,801,803,822,829,850,855,948,951,970,987,1022 +0394_00159 4,20,61,62,94,112,144,153,157,230,264,266,283,298,305,347,373,391,409,430,434,452,480,508,544,556,565,626,640,662,727,755,767,778,781,782,797,826,860,915,948,994 +0394_00160 4,20,62,94,112,144,153,157,270,283,298,311,347,373,374,391,430,434,479,480,508,520,544,556,626,636,662,668,727,755,767,768,778,781,826,860,937,948,994 +0394_00161 6,15,16,26,38,83,89,113,123,125,134,148,152,164,178,197,201,207,220,222,235,237,245,261,324,343,395,461,485,487,499,503,508,513,534,540,548,584,593,604,609,626,644,694,717,735,749,760,778,787,802,823,834,849,855,882,890,906,932,935,936,948,959,968,988,991,997,1009,1018,1021 +0394_00162 15,17,20,26,89,101,120,134,140,151,201,220,233,240,268,278,285,287,307,339,347,349,353,355,367,380,401,412,419,433,441,486,492,499,508,511,515,542,585,626,640,641,650,652,676,680,712,717,727,744,749,755,762,763,767,819,829,833,836,843,850,907,914,947,948,951,958,962,968,1004 +0394_00163 4,5,14,15,20,26,35,45,60,64,82,89,92,106,144,145,153,158,161,170,179,191,193,220,222,242,257,260,265,285,303,307,330,333,336,344,347,350,352,361,368,369,372,373,378,384,399,430,435,436,445,460,461,475,482,486,499,506,507,517,547,555,562,571,573,592,626,628,648,651,656,660,663,683,686,698,706,711,712,719,757,762,772,782,785,787,791,797,804,813,816,836,840,850,852,887,896,936,948,964,973,974,977,979,993,994,999,1014,1018,1022 +0394_00164 15,19,20,26,27,35,44,50,73,76,89,90,93,94,95,96,97,134,139,140,145,151,153,161,171,176,201,206,212,214,218,219,220,222,226,237,266,274,289,298,300,339,344,347,362,369,394,400,421,428,468,469,473,474,481,487,499,508,512,517,544,550,590,607,617,635,636,646,656,662,663,686,695,707,714,716,727,733,739,759,762,771,772,777,817,819,862,887,897,898,945,948,956,959,965,968,970,991,1004,1014,1019 +0394_00165 14,15,18,20,26,27,35,40,71,72,73,80,89,94,115,134,135,141,163,179,193,205,206,222,244,245,250,260,261,274,282,285,289,304,321,347,367,377,384,394,399,401,463,466,473,488,495,499,508,510,537,545,550,551,570,572,620,626,629,636,640,656,661,676,678,712,717,727,733,737,741,745,747,762,763,765,768,772,780,788,819,825,828,836,843,850,855,902,916,931,936,947,948,951,964,968,978,1009,1014 +0394_00166 14,15,20,26,27,35,40,71,72,73,80,89,94,134,141,161,169,179,193,206,215,222,238,245,250,252,253,261,268,274,282,285,289,304,347,365,367,377,384,385,399,401,443,466,473,483,495,499,508,510,537,540,550,551,570,572,604,620,626,629,636,640,656,674,676,678,695,712,717,727,733,737,741,745,747,755,762,763,768,772,788,819,825,836,850,855,902,916,931,936,947,948,964,968,978,1009,1014 +0394_00167 7,14,15,20,25,26,35,39,40,45,53,58,71,72,73,89,94,115,134,141,179,191,193,206,222,225,245,250,261,274,285,304,333,347,367,384,399,401,406,419,454,463,492,499,502,508,509,510,517,537,547,550,551,570,572,604,608,618,620,626,640,656,657,676,712,717,727,733,737,741,745,762,763,768,772,788,819,825,836,837,847,850,854,855,873,892,902,931,936,947,948,964,968,978,995,997,1007,1014 +0394_00168 7,15,20,26,37,47,49,53,56,60,85,89,94,116,127,134,146,153,186,195,196,204,207,216,222,230,231,241,245,246,247,254,260,285,300,304,306,310,326,337,347,349,375,381,424,429,461,462,472,473,488,493,499,507,508,511,562,566,573,590,602,606,609,612,626,640,665,671,677,706,717,719,724,727,739,741,763,764,772,779,799,801,802,804,841,851,865,866,868,936,948,964,973,974,980,983,988,991,994,1012,1022 +0394_00169 3,10,15,18,20,26,27,35,60,73,89,94,95,96,115,117,134,135,140,145,151,161,177,205,212,220,222,244,245,250,260,266,274,283,285,289,298,302,321,329,347,349,394,401,411,421,463,472,473,487,488,495,499,508,526,527,545,550,570,572,626,636,656,661,678,695,707,727,747,762,763,765,772,780,817,819,828,843,877,878,897,898,916,936,948,951,954,964,968,973,991,1009,1014 +0394_00170 3,10,14,15,18,20,26,35,54,60,73,89,94,95,96,106,115,134,135,140,142,145,151,161,179,184,193,198,205,212,220,222,245,250,260,263,285,289,298,321,347,384,394,401,421,423,463,487,488,499,508,513,526,540,545,550,570,626,636,646,656,678,686,696,698,707,727,762,763,765,772,775,780,790,819,828,878,880,897,898,916,922,948,951,964,968,991,998,1009,1014 +0394_00171 9,12,15,20,55,62,89,96,101,134,145,153,178,190,191,207,215,220,270,272,282,302,323,328,364,408,410,414,421,458,487,508,528,530,550,563,564,588,607,608,626,640,677,682,727,743,767,772,774,786,802,841,851,852,903,914,941,948,950,968,995,1020,1022 +0394_00172 1,13,15,20,25,26,44,53,60,89,99,115,134,144,184,205,214,222,236,269,274,280,282,285,288,338,342,351,400,423,438,458,473,492,499,508,540,547,566,615,618,626,633,690,696,698,727,744,757,762,772,782,793,818,822,843,857,874,936,948,968 +0394_00173 7,13,15,21,25,26,49,60,88,89,99,117,121,134,148,207,214,222,230,236,245,255,285,288,308,315,343,351,357,390,399,470,492,499,508,513,547,566,567,603,618,626,654,694,698,727,742,764,772,782,802,806,816,877,884,898,948,949,968,1022 +0394_00174 1,15,20,26,60,67,89,93,134,201,222,236,245,282,285,288,314,338,342,399,414,416,423,440,453,485,492,499,508,540,566,609,615,618,633,637,639,641,679,697,698,727,744,746,762,765,772,780,843,851,857,948,949,963,1022 +0394_00175 10,20,25,48,49,57,62,64,78,124,140,153,154,163,167,171,207,225,227,231,283,292,306,308,312,324,326,347,358,361,370,390,399,429,447,473,474,480,481,492,497,508,514,530,542,544,552,556,565,576,599,622,625,626,640,647,648,662,685,686,692,698,727,748,755,763,778,779,802,826,850,857,904,912,918,948,954,955,992,994,1002,1019 +0394_00176 20,39,49,87,93,148,153,157,167,180,183,194,207,228,231,256,259,261,278,292,302,341,370,427,481,508,516,525,527,556,596,620,627,642,659,673,684,698,704,727,739,756,762,778,797,802,833,850,915,917,948,960,987,1017 +0394_00177 10,20,48,50,57,62,64,124,140,153,154,163,167,171,207,227,283,292,306,308,312,324,326,347,358,361,370,390,447,474,481,492,497,508,530,542,544,552,556,558,565,576,599,622,625,626,640,647,648,662,685,686,692,698,727,748,755,763,778,779,826,850,857,864,912,918,948,954,955,994,1019 +0394_00178 10,14,15,20,26,27,35,60,68,73,80,89,96,134,141,142,161,169,174,179,193,213,215,220,222,238,250,252,253,260,261,268,272,274,282,285,289,300,304,347,377,384,385,401,410,443,473,482,488,495,499,502,505,508,549,550,551,572,604,636,656,666,674,678,686,695,703,712,717,727,737,741,746,747,755,762,768,772,778,785,797,808,812,819,825,841,850,852,855,867,916,948,968,980,1009,1013,1014 +0394_00179 10,20,48,50,57,62,64,101,124,137,140,153,154,163,167,171,186,207,227,283,292,295,306,308,312,324,326,347,358,361,370,390,396,447,474,481,492,497,508,530,542,544,552,556,558,565,576,588,599,622,625,626,640,647,648,662,685,686,692,698,727,741,748,755,763,778,779,826,850,857,864,897,912,918,948,954,955,994,1019 +0394_00180 10,20,48,50,57,62,64,101,124,137,140,153,154,167,171,186,207,227,254,283,292,295,306,308,312,321,324,326,347,358,370,390,396,447,474,481,492,497,508,530,542,544,552,556,565,576,588,622,625,626,640,647,648,662,685,686,692,698,727,741,748,755,763,778,779,781,826,850,857,864,897,912,918,948,954,955,994,1019 +0394_00181 10,20,48,50,57,62,64,101,124,137,140,153,154,163,167,171,186,207,227,283,292,295,306,308,312,324,326,347,358,361,370,390,396,447,474,481,492,497,508,530,542,544,552,556,558,565,576,588,599,622,625,626,640,647,648,662,685,686,692,698,727,741,748,755,763,778,779,826,850,857,864,897,912,918,948,954,955,994,1019 +0394_00182 10,20,48,50,57,62,64,101,124,137,140,153,154,167,171,186,207,227,254,283,292,295,306,308,312,321,324,326,347,358,370,390,396,447,474,481,492,497,508,530,542,544,552,556,565,576,588,622,625,626,640,647,648,662,685,686,692,698,727,741,748,755,763,778,779,781,826,850,857,864,897,912,918,948,954,955,994,1019 +0394_00183 10,20,48,50,57,62,64,124,140,153,154,167,171,186,207,227,283,292,295,306,308,312,321,324,326,347,358,361,370,390,396,447,474,481,492,497,508,522,530,542,544,552,556,565,576,586,588,599,611,622,625,626,640,647,648,662,685,686,692,698,715,727,741,748,755,763,778,779,781,804,826,850,857,864,897,912,918,948,954,955,994,1019 diff --git a/processed_data/0394/0394_fingerprints_maccs_canonical_success.tsv b/processed_data/0394/0394_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..7270d8f98 --- /dev/null +++ b/processed_data/0394/0394_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 74,85,86,93,122,141,148,149,158,160,161 +0394_00002 74,84,149,151,156,158,160,161 +0394_00003 80,82,84,85,86,90,100,104,111,114,115,116,118,122,128,129,131,138,142,147,148,151,153,155,158,160,161 +0394_00004 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0394_00005 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,161,162,164,165 +0394_00006 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00007 81,86,88,90,91,93,104,109,114,115,116,118,126,128,129,132,147,149,153,155,157,160,164 +0394_00008 53,54,57,72,82,89,90,91,96,98,99,104,109,118,123,126,127,128,129,131,132,136,137,138,139,140,143,146,147,150,152,153,154,155,157,159,163,164,165 +0394_00009 53,54,57,72,82,89,90,91,96,98,99,104,108,109,123,126,127,128,129,131,132,136,137,139,140,143,146,147,150,152,153,154,155,157,159,160,163,164,165 +0394_00010 53,54,57,72,82,89,90,91,93,98,104,109,113,118,123,126,127,128,131,132,137,138,139,140,143,144,145,146,147,150,152,153,155,157,159,160,162,163,164,165 +0394_00011 29,30,48,49,69,74,85,86,90,91,93,95,100,102,106,109,111,112,115,116,122,124,126,130,132,138,139,140,141,146,147,148,149,153,155,157,158,159,160,161,164 +0394_00012 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0394_00013 82,88,90,91,108,114,115,116,118,128,129,147,149,153,155,160 +0394_00014 86,88,90,91,104,118,123,128,129,131,132,136,138,139,140,146,147,153,154,155,157,159,164 +0394_00015 54,84,90,91,95,104,108,111,114,115,116,118,123,129,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00016 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0394_00017 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0394_00018 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0394_00019 53,54,82,86,90,91,95,97,100,104,111,123,129,131,132,136,138,139,140,146,147,151,153,154,155,157,158,159,161,164 +0394_00020 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0394_00021 53,54,90,93,95,97,104,111,116,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0394_00022 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0394_00023 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0394_00024 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0394_00025 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00026 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0394_00027 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0394_00028 19,53,54,83,90,91,95,96,97,98,104,105,111,121,127,128,129,131,132,137,139,143,151,152,156,157,158,159,161,163,164,165 +0394_00029 34,50,54,76,84,90,91,95,99,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00030 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0394_00031 37,38,43,53,54,66,74,77,79,80,84,85,90,92,93,95,97,104,106,110,111,112,117,122,123,131,132,136,139,140,141,142,146,148,149,151,154,155,156,157,158,159,160,161,164 +0394_00032 81,88,90,104,108,109,114,115,118,123,126,128,129,132,147,149,153,154,155,157,159,160,164 +0394_00033 81,88,104,108,109,114,115,116,118,123,126,128,129,132,147,149,153,154,155,157,159,160,164 +0394_00034 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00035 39,40,48,53,54,55,57,58,60,61,67,69,72,73,82,88,89,90,91,93,98,102,106,109,112,113,123,124,126,127,130,131,132,136,137,138,139,140,143,145,146,148,150,152,153,155,157,159,160,162,163,164,165 +0394_00036 83,89,90,92,93,96,104,108,110,111,116,117,121,126,127,132,137,143,147,151,154,156,157,158,159,160,161,164,165 +0394_00037 54,84,90,91,95,97,104,108,109,111,116,123,126,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00038 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0394_00039 29,38,43,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00040 29,38,43,48,53,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00041 29,37,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00042 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00043 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00044 24,63,70,71,94,102,108,109,111,114,115,116,118,119,124,126,129,130,132,147,153,155,157,159,160,161,164 +0394_00045 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 +0394_00046 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00047 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0394_00048 54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00049 74,81,88,141,149,160 +0394_00050 29,39,40,48,49,51,55,58,60,61,67,73,86,88,102,106,108,112,115,116,118,124,128,129,130,132,136,138,140,146,147,148,153,155,159,160,164 +0394_00051 20,69,82,86,88,90,102,104,108,109,114,118,124,126,128,129,130,131,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0394_00052 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0394_00053 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00054 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00055 54,74,79,84,90,91,92,95,104,110,111,115,117,123,131,132,136,139,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0394_00056 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,132,136,139,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0394_00057 19,53,54,72,75,83,85,89,90,91,92,93,95,96,97,98,104,105,108,110,111,112,116,117,121,122,127,131,132,137,139,140,143,146,147,148,150,152,156,157,158,159,160,161,163,164,165 +0394_00058 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0394_00059 26,50,53,57,62,76,89,90,91,98,99,104,105,108,113,120,123,125,127,131,132,136,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0394_00060 65,79,95,97,98,120,121,137,142,152,154,156,160,161,162,163,164,165 +0394_00061 65,80,84,92,97,98,110,117,121,137,142,151,154,156,158,161,162,163,164,165 +0394_00062 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0394_00063 38,52,53,65,69,77,79,80,83,92,94,96,97,98,105,110,113,117,120,121,124,127,131,137,142,143,151,154,156,161,162,163,164,165 +0394_00064 19,26,50,53,66,76,89,91,96,99,104,105,112,113,125,127,131,132,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0394_00065 53,54,57,72,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0394_00066 21,36,50,74,76,81,83,88,89,96,99,120,123,126,136,137,138,140,141,146,147,149,152,153,154,157,159,160,164,165 +0394_00067 53,54,72,89,113,123,125,126,127,131,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0394_00068 81,88,90,91,104,108,114,115,116,118,129,147,149,155,160 +0394_00069 28,29,39,40,48,49,51,55,58,60,61,67,73,85,86,88,100,102,106,112,118,122,124,128,129,130,132,133,135,136,138,140,146,147,148,153,155,156,158,159,161,162,163,164,165 +0394_00070 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0394_00071 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0394_00072 23,54,66,74,90,95,104,106,110,111,112,115,117,123,126,131,136,139,140,141,146,149,151,152,154,155,156,157,158,159,160,161,164 +0394_00073 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00074 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00075 25,43,54,77,78,79,84,86,88,90,91,92,93,95,100,104,106,110,111,115,116,117,118,119,123,131,136,138,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00076 81,88,93,108,109,114,115,116,118,123,126,128,129,132,141,147,149,153,154,155,157,159,160,164 +0394_00077 72,82,86,91,104,109,118,126,128,129,131,132,138,139,140,146,147,153,155,157,159,164 +0394_00078 50,65,74,76,79,83,85,90,91,92,95,96,98,99,100,105,110,111,117,118,120,121,122,127,128,136,137,142,143,144,145,147,148,149,151,153,154,156,158,159,160,161,162,163,164,165 +0394_00079 53,54,57,66,72,74,82,89,90,91,98,104,105,108,109,112,115,116,120,123,126,127,129,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00080 53,54,57,66,72,74,82,89,90,91,98,104,105,108,109,112,115,116,120,123,126,127,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00081 53,54,57,66,72,74,82,89,90,91,98,104,105,109,112,116,120,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00082 34,50,53,54,57,66,72,76,82,89,90,91,98,99,104,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,150,152,153,155,157,159,160,163,164,165 +0394_00083 53,54,57,66,72,74,82,89,90,91,98,105,108,109,112,116,120,123,126,127,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00084 34,53,54,57,66,72,74,82,83,89,90,91,96,98,99,108,109,112,116,120,123,126,127,128,129,131,132,137,138,139,140,143,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00085 22,53,54,57,66,72,74,82,89,90,91,96,98,104,105,108,109,112,115,116,123,126,127,129,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00086 53,54,57,66,72,74,82,89,90,91,96,98,104,105,108,109,112,115,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00087 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00088 39,40,48,51,53,55,58,60,61,67,69,73,82,88,90,91,92,97,99,100,102,104,106,108,110,111,112,114,115,116,117,118,124,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00089 39,40,48,51,53,55,58,60,61,67,69,73,82,88,90,91,92,97,99,100,102,104,106,108,110,111,112,114,115,116,117,118,124,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00090 50,57,62,66,74,76,89,93,98,99,105,108,109,112,113,116,120,125,126,127,128,137,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0394_00091 39,40,48,51,53,54,55,58,60,61,66,67,69,72,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0394_00092 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0394_00093 50,53,54,57,66,72,74,76,82,83,89,90,91,96,98,99,104,108,109,112,115,116,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00094 50,53,54,57,66,72,74,76,82,83,89,90,91,96,98,99,104,108,109,112,115,120,123,126,127,128,131,132,137,138,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00095 50,53,54,57,72,74,76,82,89,90,91,98,99,108,109,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00096 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00097 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00098 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00099 34,53,65,80,83,90,91,96,99,104,105,108,111,116,118,120,121,123,128,129,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0394_00100 34,50,53,54,57,66,72,74,76,82,89,90,91,98,99,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00101 53,54,57,72,82,89,90,91,98,108,109,114,115,116,118,123,126,127,128,129,131,132,137,138,139,140,143,146,147,150,152,153,154,155,157,159,160,163,164,165 +0394_00102 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00103 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00104 72,75,85,86,93,98,100,105,111,113,115,116,121,122,126,127,129,137,138,141,143,144,145,147,148,149,150,152,153,157,158,159,160,161,162,163,164,165 +0394_00105 57,62,74,75,83,85,86,92,93,95,96,100,108,110,112,113,115,116,117,120,121,122,127,132,137,139,141,143,148,149,150,152,153,156,157,158,159,160,161,162,163,164,165 +0394_00106 74,93,97,109,115,123,126,133,135,141,144,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00107 65,72,83,85,95,96,97,100,101,105,108,111,116,118,121,122,137,139,141,144,147,148,149,150,152,153,154,156,157,158,159,160,161,162,164,165 +0394_00108 90,91,99,104,108,114,118,123,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00109 50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00110 90,91,96,99,104,108,114,115,116,118,123,127,128,129,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00111 50,76,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00112 54,72,90,99,104,108,114,123,128,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00113 54,72,90,99,104,108,114,123,128,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00114 26,50,53,66,76,89,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00115 53,54,57,66,72,82,89,90,91,98,104,108,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00116 53,54,57,66,72,82,89,90,91,98,104,108,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00117 53,54,57,66,72,74,82,89,90,91,98,104,108,109,112,115,116,123,126,127,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00118 53,54,57,66,72,74,82,89,90,91,98,104,108,109,112,116,118,123,126,127,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00119 19,66,72,90,91,93,96,104,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0394_00120 29,48,54,69,72,84,89,90,95,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00121 26,50,57,66,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00122 34,72,76,89,93,99,108,118,123,126,128,129,136,140,141,146,147,149,152,154,155,157,159,160,164 +0394_00123 29,30,48,49,72,74,85,86,89,90,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00124 29,48,54,69,72,84,89,90,95,99,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00125 54,57,65,66,74,79,82,83,85,86,89,90,91,92,93,95,96,97,100,104,105,108,110,111,112,113,114,115,117,120,121,122,125,127,128,131,132,133,136,137,140,141,142,143,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00126 26,50,57,66,72,76,82,83,89,91,96,99,105,108,109,112,114,115,116,118,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00127 53,54,57,66,72,74,89,90,91,96,98,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00128 29,48,54,69,72,82,89,90,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,152,153,154,155,157,159,160,164 +0394_00129 29,48,54,69,72,82,89,90,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,152,153,154,155,157,159,160,164 +0394_00130 13,24,25,29,38,43,48,53,54,65,69,71,72,75,77,79,80,84,89,90,91,92,94,95,97,98,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00131 19,34,50,54,57,66,72,76,82,83,89,90,91,96,99,104,105,108,109,112,116,123,127,128,129,131,132,136,137,139,140,143,146,147,150,152,153,154,155,157,159,160,164,165 +0394_00132 34,50,57,66,72,76,83,90,96,98,99,101,104,105,108,112,115,116,118,120,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,157,159,160,163,164,165 +0394_00133 26,34,50,57,66,69,72,76,83,90,91,96,99,101,102,105,112,115,116,123,124,126,127,128,129,131,132,137,139,140,143,146,147,150,152,154,157,159,160,163,164,165 +0394_00134 26,50,53,57,66,74,76,83,89,91,96,99,101,104,105,109,112,116,120,123,127,128,129,131,132,137,139,140,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0394_00135 16,22,26,50,57,66,72,76,83,89,91,96,99,105,108,112,115,116,120,123,127,128,129,132,137,139,140,141,143,146,147,149,150,152,154,157,159,160,164,165 +0394_00136 19,26,50,57,66,76,83,89,90,91,96,99,104,105,108,112,115,116,123,127,128,131,132,136,137,139,140,141,143,146,147,149,150,152,154,157,159,160,164,165 +0394_00137 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00138 53,57,89,90,91,98,99,104,108,114,115,116,118,123,127,129,131,132,137,139,140,143,146,147,150,152,154,155,157,159,160,163,164,165 +0394_00139 53,89,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00140 15,43,90,91,99,104,106,112,118,123,128,129,131,132,139,140,146,147,152,154,155,157,159,164 +0394_00141 34,50,53,66,74,76,89,90,91,96,99,104,108,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0394_00142 54,81,84,88,90,91,95,99,104,108,111,114,115,116,118,123,128,129,131,132,136,139,140,146,147,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00143 50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,108,109,112,115,116,118,123,126,127,128,129,131,132,137,139,140,141,143,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00144 78,98,99,100,111,118,119,121,129,137,147,153,156,158,160,161,163,165 +0394_00145 54,90,91,92,95,104,108,110,111,113,114,115,116,117,118,123,127,128,129,131,132,136,139,140,143,146,147,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00146 30,49,74,85,86,89,93,95,99,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00147 30,49,74,85,86,92,93,97,99,108,110,111,112,114,115,116,117,118,122,123,126,128,129,132,136,140,141,146,147,148,149,154,155,156,157,158,159,160,161,164 +0394_00148 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00149 54,57,66,72,89,90,91,98,104,108,112,114,115,116,120,123,126,127,131,132,136,137,139,140,141,143,146,149,150,152,154,155,157,159,160,163,164,165 +0394_00150 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00151 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00152 57,72,74,75,79,83,85,89,91,92,93,95,96,97,100,105,108,110,111,114,115,116,117,118,120,121,122,123,127,129,132,136,137,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00153 26,50,53,54,57,66,72,76,82,83,89,90,91,92,96,98,99,100,101,104,105,108,109,110,111,112,115,116,117,118,120,121,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,151,152,153,155,156,157,158,159,160,161,163,164,165 +0394_00154 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0394_00155 16,22,50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00156 53,54,57,66,72,82,83,89,90,91,93,96,98,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00157 53,54,57,72,82,89,90,91,98,108,109,114,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00158 16,22,50,57,66,72,74,76,89,99,108,112,115,116,118,123,127,137,139,141,143,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00159 53,54,66,72,89,90,91,104,108,109,112,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,152,153,154,155,157,159,160,164 +0394_00160 53,66,72,89,91,104,108,109,112,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,152,153,154,155,157,159,160,164 +0394_00161 19,26,50,57,66,72,74,76,83,89,96,99,101,105,108,112,115,116,118,123,127,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00162 11,50,53,66,74,76,89,96,99,101,105,108,112,113,115,116,123,126,127,128,129,131,132,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0394_00163 50,53,54,57,66,72,74,76,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00164 26,50,66,74,76,84,99,105,108,109,112,115,116,118,123,125,126,127,128,129,132,133,135,136,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00165 26,50,66,72,74,76,90,91,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00166 26,50,66,72,74,76,90,91,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00167 34,50,66,72,74,76,90,91,96,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00168 50,53,54,57,66,72,74,76,89,91,96,98,99,105,108,112,114,115,116,118,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00169 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00170 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00171 50,53,62,74,76,89,91,99,108,113,115,116,118,125,127,131,132,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0394_00172 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0394_00173 26,50,66,76,90,91,96,99,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0394_00174 66,96,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0394_00175 29,48,54,69,72,74,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00176 25,43,54,74,77,78,79,84,90,91,92,95,100,104,106,108,110,111,115,117,118,119,131,136,140,141,142,146,147,149,151,153,154,155,156,158,159,160,161,164 +0394_00177 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00178 26,50,66,74,76,93,99,105,108,112,113,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00179 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00180 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00181 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00182 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00183 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 diff --git a/processed_data/0394/0394_fingerprints_maccs_isomeric_success.tsv b/processed_data/0394/0394_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..efe2354d0 --- /dev/null +++ b/processed_data/0394/0394_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 74,85,86,93,122,141,148,149,158,160,161 +0394_00002 74,84,149,151,156,158,160,161 +0394_00003 82,84,100,104,111,114,115,147,151,153,155,158,160,161 +0394_00004 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0394_00005 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,161,162,164,165 +0394_00006 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00007 81,86,88,90,91,93,104,109,114,115,116,118,126,128,129,132,147,149,153,155,157,160,164 +0394_00008 53,54,57,72,82,89,90,91,96,98,99,104,109,118,123,126,127,128,129,131,132,136,137,138,139,140,143,146,147,150,152,153,154,155,157,159,163,164,165 +0394_00009 53,54,57,72,82,89,90,91,96,98,99,104,108,109,123,126,127,128,129,131,132,136,137,139,140,143,146,147,150,152,153,154,155,157,159,160,163,164,165 +0394_00010 53,54,57,72,82,89,90,91,93,98,104,109,113,118,123,126,127,128,131,132,137,138,139,140,143,144,145,146,147,150,152,153,155,157,159,160,162,163,164,165 +0394_00011 29,30,48,49,69,74,85,86,90,91,93,95,100,102,106,109,111,112,115,116,122,124,126,130,132,138,139,140,141,146,147,148,149,153,155,157,158,159,160,161,164 +0394_00012 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0394_00013 82,88,90,91,108,114,115,116,118,128,129,147,149,153,155,160 +0394_00014 86,88,114,115,116,118,128,129,138,147,149,153,155,160 +0394_00015 54,84,90,91,95,104,108,111,114,115,116,118,123,129,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00016 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0394_00017 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0394_00018 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0394_00019 53,54,82,86,90,91,95,97,100,104,111,123,129,131,132,136,138,139,140,146,147,151,153,154,155,157,158,159,161,164 +0394_00020 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0394_00021 53,54,90,93,95,97,104,111,116,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0394_00022 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0394_00023 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0394_00024 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0394_00025 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00026 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0394_00027 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0394_00028 19,53,54,83,90,91,95,96,97,98,104,105,111,121,127,128,129,131,132,137,139,143,151,152,156,157,158,159,161,163,164,165 +0394_00029 34,50,54,76,84,90,91,95,99,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00030 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0394_00031 37,38,43,53,54,66,74,77,79,80,84,85,90,92,93,95,97,104,106,110,111,112,117,122,123,131,132,136,139,140,141,142,146,148,149,151,154,155,156,157,158,159,160,161,164 +0394_00032 81,88,90,104,108,109,114,115,118,123,126,128,129,132,147,149,153,154,155,157,159,160,164 +0394_00033 81,88,104,108,109,114,115,116,118,123,126,128,129,132,147,149,153,154,155,157,159,160,164 +0394_00034 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00035 39,40,48,53,54,55,57,58,60,61,67,69,72,73,82,88,89,90,91,93,98,102,106,109,112,113,123,124,126,127,130,131,132,136,137,138,139,140,143,145,146,148,150,152,153,155,157,159,160,162,163,164,165 +0394_00036 83,89,90,92,93,96,104,108,110,111,116,117,121,126,127,132,137,143,147,151,154,156,157,158,159,160,161,164,165 +0394_00037 54,84,90,91,95,97,104,108,109,111,116,123,126,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00038 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0394_00039 29,38,43,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00040 29,38,43,48,53,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00041 29,37,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00042 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0394_00043 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00044 24,63,70,71,94,102,108,109,111,114,115,116,118,119,124,126,129,130,132,147,153,155,157,159,160,161,164 +0394_00045 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 +0394_00046 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00047 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0394_00048 54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0394_00049 74,81,88,141,149,160 +0394_00050 82,88,90,91,104,108,114,115,116,118,128,129,147,153,155,160 +0394_00051 86,88,108,114,115,118,128,129,138,147,149,153,155,160 +0394_00052 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0394_00053 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00054 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00055 54,74,79,84,90,91,92,95,104,110,111,115,117,123,131,132,136,139,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0394_00056 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,132,136,139,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0394_00057 19,53,54,72,75,83,85,89,90,91,92,93,95,96,97,98,104,105,108,110,111,112,116,117,121,122,127,131,132,137,139,140,143,146,147,148,150,152,156,157,158,159,160,161,163,164,165 +0394_00058 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21,36,50,74,76,81,83,88,89,96,99,120,123,126,136,137,138,140,141,146,147,149,152,153,154,157,159,160,164,165 +0394_00067 53,54,72,89,113,123,125,126,127,131,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0394_00068 81,88,90,91,104,108,114,115,116,118,129,147,149,155,160 +0394_00069 82,88,90,91,104,108,114,115,116,118,128,129,147,153,155,160 +0394_00070 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0394_00071 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0394_00072 23,54,66,74,90,95,104,106,110,111,112,115,117,123,126,131,136,139,140,141,146,149,151,152,154,155,156,157,158,159,160,161,164 +0394_00073 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00074 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00075 25,43,54,77,78,79,84,86,88,90,91,92,93,95,100,104,106,110,111,115,116,117,118,119,123,131,136,138,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00076 81,88,93,108,109,114,115,116,118,123,126,128,129,132,141,147,149,153,154,155,157,159,160,164 +0394_00077 72,82,86,91,104,109,118,126,128,129,131,132,138,139,140,146,147,153,155,157,159,164 +0394_00078 50,65,74,76,79,83,85,90,91,92,95,96,98,99,100,105,110,111,117,118,120,121,122,127,128,136,137,142,143,144,145,147,148,149,151,153,154,156,158,159,160,161,162,163,164,165 +0394_00079 53,54,57,66,72,74,82,89,90,91,98,104,105,108,109,112,115,116,120,123,126,127,129,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00080 53,54,57,66,72,74,82,89,90,91,98,104,105,108,109,112,115,116,120,123,126,127,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00081 53,54,57,66,72,74,82,89,90,91,98,104,105,109,112,116,120,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00082 34,50,53,54,57,66,72,76,82,89,90,91,98,99,104,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,150,152,153,155,157,159,160,163,164,165 +0394_00083 53,54,57,66,72,74,82,89,90,91,98,105,108,109,112,116,120,123,126,127,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00084 34,53,54,57,66,72,74,82,83,89,90,91,96,98,99,108,109,112,116,120,123,126,127,128,129,131,132,137,138,139,140,143,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00085 22,53,54,57,66,72,74,82,89,90,91,96,98,104,105,108,109,112,115,116,123,126,127,129,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00086 53,54,57,66,72,74,82,89,90,91,96,98,104,105,108,109,112,115,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00087 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00088 39,40,48,51,53,55,58,60,61,67,69,73,82,88,90,91,92,97,99,100,102,104,106,108,110,111,112,114,115,116,117,118,124,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00089 39,40,48,51,53,55,58,60,61,67,69,73,82,88,90,91,92,97,99,100,102,104,106,108,110,111,112,114,115,116,117,118,124,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00090 50,57,62,66,74,76,89,93,98,99,105,108,109,112,113,116,120,125,126,127,128,137,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0394_00091 39,40,48,51,53,54,55,58,60,61,66,67,69,72,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0394_00092 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0394_00093 50,53,54,57,66,72,74,76,82,83,89,90,91,96,98,99,104,108,109,112,115,116,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00094 50,53,54,57,66,72,74,76,82,83,89,90,91,96,98,99,104,108,109,112,115,120,123,126,127,128,131,132,137,138,139,140,141,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0394_00095 50,53,54,57,72,74,76,82,89,90,91,98,99,108,109,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00096 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00097 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00098 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00099 34,53,65,80,83,90,91,96,99,104,105,108,111,116,118,120,121,123,128,129,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0394_00100 34,50,53,54,57,66,72,74,76,82,89,90,91,98,99,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00101 53,54,57,72,82,89,90,91,98,108,109,114,115,116,118,123,126,127,128,129,131,132,137,138,139,140,143,146,147,150,152,153,154,155,157,159,160,163,164,165 +0394_00102 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00103 29,48,69,72,82,84,89,90,91,95,99,100,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,157,158,159,160,161,164 +0394_00104 72,75,85,86,93,98,100,105,111,113,115,116,121,122,126,127,129,137,138,141,143,144,145,147,148,149,150,152,153,157,158,159,160,161,162,163,164,165 +0394_00105 57,62,74,75,83,85,86,92,93,95,96,100,108,110,112,113,115,116,117,120,121,122,127,132,137,139,141,143,148,149,150,152,153,156,157,158,159,160,161,162,163,164,165 +0394_00106 74,93,97,109,115,123,126,133,135,141,144,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00107 65,72,83,85,95,96,97,100,101,105,108,111,116,118,121,122,137,139,141,144,147,148,149,150,152,153,154,156,157,158,159,160,161,162,164,165 +0394_00108 90,91,99,104,108,114,118,123,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00109 50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00110 90,91,96,99,104,108,114,115,116,118,123,127,128,129,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00111 50,76,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00112 54,72,90,99,104,108,114,123,128,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00113 54,72,90,99,104,108,114,123,128,129,131,132,139,140,146,147,152,154,155,157,159,160,164 +0394_00114 26,50,53,66,76,89,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00115 53,54,57,66,72,82,89,90,91,98,104,108,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00116 53,54,57,66,72,82,89,90,91,98,104,108,109,112,115,116,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00117 53,54,57,66,72,74,82,89,90,91,98,104,108,109,112,115,116,123,126,127,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00118 53,54,57,66,72,74,82,89,90,91,98,104,108,109,112,116,118,123,126,127,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00119 19,66,72,90,91,93,96,104,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0394_00120 29,48,54,69,72,84,89,90,95,102,104,106,108,109,111,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00121 26,50,57,66,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00122 34,72,76,89,93,99,108,118,123,126,128,129,136,140,141,146,147,149,152,154,155,157,159,160,164 +0394_00123 29,30,48,49,72,74,85,86,89,90,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 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29,48,54,69,72,82,89,90,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,152,153,154,155,157,159,160,164 +0394_00130 13,24,25,29,38,43,48,53,54,65,69,71,72,75,77,79,80,84,89,90,91,92,94,95,97,98,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0394_00131 19,34,50,54,57,66,72,76,82,83,89,90,91,96,99,104,105,108,109,112,116,123,127,128,129,131,132,136,137,139,140,143,146,147,150,152,153,154,155,157,159,160,164,165 +0394_00132 34,50,57,66,72,76,83,90,96,98,99,101,104,105,108,112,115,116,118,120,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,157,159,160,163,164,165 +0394_00133 26,34,50,57,66,69,72,76,83,90,91,96,99,101,102,105,112,115,116,123,124,126,127,128,129,131,132,137,139,140,143,146,147,150,152,154,157,159,160,163,164,165 +0394_00134 26,50,53,57,66,74,76,83,89,91,96,99,101,104,105,109,112,116,120,123,127,128,129,131,132,137,139,140,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0394_00135 16,22,26,50,57,66,72,76,83,89,91,96,99,105,108,112,115,116,120,123,127,128,129,132,137,139,140,141,143,146,147,149,150,152,154,157,159,160,164,165 +0394_00136 19,26,50,57,66,76,83,89,90,91,96,99,104,105,108,112,115,116,123,127,128,131,132,136,137,139,140,141,143,146,147,149,150,152,154,157,159,160,164,165 +0394_00137 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0394_00138 53,57,89,90,91,98,99,104,108,114,115,116,118,123,127,129,131,132,137,139,140,143,146,147,150,152,154,155,157,159,160,163,164,165 +0394_00139 53,89,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0394_00140 15,43,90,91,99,104,106,112,118,123,128,129,131,132,139,140,146,147,152,154,155,157,159,164 +0394_00141 34,50,53,66,74,76,89,90,91,96,99,104,108,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0394_00142 54,81,84,88,90,91,95,99,104,108,111,114,115,116,118,123,128,129,131,132,136,139,140,146,147,151,152,153,154,155,156,157,158,159,160,161,164 +0394_00143 50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,108,109,112,115,116,118,123,126,127,128,129,131,132,137,139,140,141,143,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00144 78,98,99,100,111,118,119,121,129,137,147,153,156,158,160,161,163,165 +0394_00145 54,90,91,92,95,104,108,110,111,113,114,115,116,117,118,123,127,128,129,131,132,136,139,140,143,146,147,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00146 30,49,74,85,86,89,93,95,99,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0394_00147 30,49,74,85,86,92,93,97,99,108,110,111,112,114,115,116,117,118,122,123,126,128,129,132,136,140,141,146,147,148,149,154,155,156,157,158,159,160,161,164 +0394_00148 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0394_00149 54,57,66,72,89,90,91,98,104,108,112,114,115,116,120,123,126,127,131,132,136,137,139,140,141,143,146,149,150,152,154,155,157,159,160,163,164,165 +0394_00150 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00151 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00152 57,72,74,75,79,83,85,89,91,92,93,95,96,97,100,105,108,110,111,114,115,116,117,118,120,121,122,123,127,129,132,136,137,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00153 26,50,53,54,57,66,72,76,82,83,89,90,91,92,96,98,99,100,101,104,105,108,109,110,111,112,115,116,117,118,120,121,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,151,152,153,155,156,157,158,159,160,161,163,164,165 +0394_00154 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0394_00155 16,22,50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00156 53,54,57,66,72,82,83,89,90,91,93,96,98,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00157 53,54,57,72,82,89,90,91,98,108,109,114,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0394_00158 16,22,50,57,66,72,74,76,89,99,108,112,115,116,118,123,127,137,139,141,143,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00159 53,54,66,72,89,90,91,104,108,109,112,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,152,153,154,155,157,159,160,164 +0394_00160 53,66,72,89,91,104,108,109,112,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,152,153,154,155,157,159,160,164 +0394_00161 19,26,50,57,66,72,74,76,83,89,96,99,101,105,108,112,115,116,118,123,127,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0394_00162 11,50,53,66,74,76,89,96,99,101,105,108,112,113,115,116,123,126,127,128,129,131,132,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0394_00163 50,53,54,57,66,72,74,76,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0394_00164 26,50,66,74,76,84,99,105,108,109,112,115,116,118,123,125,126,127,128,129,132,133,135,136,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0394_00165 26,50,66,72,74,76,90,91,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00166 26,50,66,72,74,76,90,91,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00167 34,50,66,72,74,76,90,91,96,99,104,105,108,112,113,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00168 50,53,54,57,66,72,74,76,89,91,96,98,99,105,108,112,114,115,116,118,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0394_00169 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00170 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,126,127,128,129,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00171 50,53,62,74,76,89,91,99,108,113,115,116,118,125,127,131,132,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0394_00172 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0394_00173 26,50,66,76,90,91,96,99,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0394_00174 66,96,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0394_00175 29,48,54,69,72,74,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00176 25,43,54,74,77,78,79,84,90,91,92,95,100,104,106,108,110,111,115,117,118,119,131,136,140,141,142,146,147,149,151,153,154,155,156,158,159,160,161,164 +0394_00177 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00178 26,50,66,74,76,93,99,105,108,112,113,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0394_00179 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00180 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00181 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00182 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 +0394_00183 29,48,54,69,72,82,89,90,99,102,104,106,108,109,112,114,115,116,118,123,124,126,128,129,130,131,132,136,138,139,140,146,147,148,149,152,153,154,155,157,159,160,164 diff --git a/processed_data/0394/0394_fingerprints_pubchem_canonical_success.tsv b/processed_data/0394/0394_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..aaf666461 --- /dev/null +++ b/processed_data/0394/0394_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 10,15,284,286,366,375,391,392,541 +0394_00002 10,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,644 +0394_00003 10,11,12,13,14,15,16,17,18,284,285,286,300,333,345,346,352,366,375,391,392,394,529,541,593,594,614,644,657 +0394_00004 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0394_00005 10,11,12,15,16,19,20,21,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,359,366,367,371,373,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,426,436,439,443,446,447,448,450,451,454,457,473,483,485,486,488,492,496,500,503,505,507,520,522,540,541,547,548,561,567,568,570,572,573,583,593,597,612,613,614,615,618,637,638,639,640,644,655,657,660,663,664,675,681,682,683,684,691,692,703 +0394_00006 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0394_00007 10,11,12,19,34,284,285,287,294,333,345,347,350,353,354,367,369,375,406,414,583,638,680,681,689,690,699 +0394_00008 10,11,12,13,19,20,21,22,144,145,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,580,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,685,689,690,691,693,694,695,697,699,701,702,705,707,709,710,711,713,861 +0394_00009 10,11,12,13,19,20,21,22,144,145,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,679,680,681,682,685,689,690,691,693,694,695,697,699,701,702,705,707,709,710,711,713,861 +0394_00010 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,662,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,709,710,711,715,736,762,778,799,825 +0394_00011 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0394_00012 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0394_00013 10,11,12,34,284,285,294,333,334,336,345,350,354,369,375,414,583,680,689,709,710,711 +0394_00014 10,11,12,19,20,21,34,35,284,285,287,294,309,333,345,350,353,354,369,381,407,413,421,441,444,453,508,536,580,587,618,638,659 +0394_00015 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0394_00016 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0394_00017 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0394_00018 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0394_00019 10,11,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,581,603,614,618,639,644,657,660 +0394_00020 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,582,603,618,640,643,644,646,647,657,660 +0394_00021 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0394_00022 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0394_00023 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0394_00024 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0394_00025 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0394_00026 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0394_00027 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0394_00028 10,11,15,19,20,144,146,147,179,181,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,583,593,614,618,638,639,644,657,660,680,681,682,684,689,690,691,699,702 +0394_00029 10,11,15,19,20,284,285,286,287,300,309,333,334,339,341,345,346,352,353,366,375,381,394,407,417,421,431,441,442,444,447,453,465,491,529,536,537,557,567,580,583,593,600,618,638,641,642,680,681,684,685,690,693 +0394_00030 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,699,700,705,709,710,711,777 +0394_00031 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,337,339,341,345,346,352,353,366,375,376,381,391,392,393,394,407,421,440,441,444,452,453,529,536,537,541,561,570,580,581,593,612,614,618,637,638,639,644,646,647,648,655,657,683,686,687,688 +0394_00032 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,414,421,441,444,453,536,580,583,615,638,680,681,690 +0394_00033 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,414,421,441,444,453,536,580,583,615,638,680,681,690 +0394_00034 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00035 10,11,12,19,20,21,22,34,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,409,417,431,435,442,447,459,460,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,635,638,640,641,642,652,656,661,662,663,664,665,667,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,715,778 +0394_00036 10,11,15,19,20,144,146,147,284,285,286,287,300,333,345,346,347,352,353,366,367,375,391,393,394,406,421,440,444,452,529,536,541,560,580,593,614,638,644,646,647,657,683,686,687 +0394_00037 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687 +0394_00038 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0394_00039 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00040 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00041 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,442,443,448,450,451,452,454,457,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,646,648,655,657,658,663,664,675,681,683,684,691,692,703 +0394_00042 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00043 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0394_00044 10,11,15,19,20,284,285,287,302,333,345,347,353,367,375,402,424,456,583,638,681 +0394_00045 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 +0394_00046 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0394_00047 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0394_00048 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0394_00049 10,11,34,284,285,294,333,345,350,354,369,375,413,508,659 +0394_00050 10,11,12,13,19,20,21,22,31,32,34,35,36,284,285,293,294,333,345,349,350,354,369,375,411,415,458,459,460,466,583,680 +0394_00051 10,11,12,19,20,21,29,30,34,284,285,287,292,294,314,321,333,345,347,350,353,354,355,367,369,370,375,413,508,587,659 +0394_00052 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0394_00053 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0394_00054 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0394_00055 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,683,684,685,686,691,694,695,709,710 +0394_00056 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,683,684,685,686,691,694,695,709,711 +0394_00057 10,11,12,15,19,20,21,144,146,147,179,181,182,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,375,391,392,407,541,567,568,572,583,593,614,618,638,639,640,657,660,664,680,681,682,683,684,689,690,691,692,699,702,703,704 +0394_00058 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0394_00059 10,11,12,13,14,19,20,21,22,179,180,183,185,186,187,190,192,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,595,596,598,604,605,607,609,615,618,619,620,624,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0394_00060 10,11,15,16,19,179,181,182,256,257,284,285,286,287,333,341,342,345,346,352,353,356,358,359,366,371,373,374,375,377,388,391,397,404,417,419,421,432,433,436,438,442,443,444,446,447,448,450,454,473,483,486,491,492,494,495,496,500,503,507,517,522,524,536,537,539,540,541,546,547,548,554,557,570,571,578,581,586,593,603,612,614,625,657,658,666,673,674 +0394_00061 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0394_00062 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0394_00063 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0394_00064 10,11,12,13,19,20,21,22,144,145,179,180,183,186,187,190,193,194,197,200,207,256,258,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,589,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,706,707,709,710,711,712,713,714,720,735,736,756,757,777,783,798,799,819,820,840,841,861,862 +0394_00065 10,11,12,13,19,20,21,22,179,180,182,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,627,631,632,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0394_00066 10,11,12,19,20,21,34,35,144,147,284,285,287,294,333,334,340,342,345,347,350,353,354,367,369,375,381,406,413,417,421,431,441,442,444,453,480,508,536,554,574,582,589,595,615,640,643,667 +0394_00067 10,11,12,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0394_00068 10,11,34,284,285,294,333,345,350,354,369,375,414,583,680,689 +0394_00069 10,11,12,13,14,15,19,20,21,22,31,32,34,35,36,179,180,256,284,285,286,293,294,333,341,345,349,350,352,354,356,366,369,371,372,377,378,385,391,392,411,415,417,435,438,442,447,450,458,459,460,465,466,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689 +0394_00070 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0394_00071 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0394_00072 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,366,375,381,391,393,394,406,407,421,441,444,452,453,529,536,537,541,560,567,580,583,593,603,613,614,618,638,644,646,647,660,681,685,709,710 +0394_00073 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00074 10,11,12,15,19,20,21,284,285,286,287,333,334,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00075 10,11,12,15,16,17,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,376,381,391,393,394,407,413,419,421,440,441,444,451,452,453,454,488,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,660,681,684,685,692,696 +0394_00076 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,413,421,441,444,453,508,536,580,583,587,615,638,680,681,685,690,693 +0394_00077 10,11,12,19,20,21,22,284,285,287,309,345,347,353,367,406,407,568,572,615,663,664 +0394_00078 10,11,12,13,15,16,19,20,144,146,147,151,153,154,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711,713,759,822 +0394_00079 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,783,799,804,820,825 +0394_00080 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,783,799,804,820,825 +0394_00081 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,804,820,825 +0394_00082 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,442,447,491,557,564,568,572,574,583,600,611,615,618,638,640,641,662,663,664,668,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,777,778,799,820,825 +0394_00083 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,820,825 +0394_00084 10,11,12,13,19,20,21,22,144,147,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,435,442,447,491,517,557,564,568,572,574,583,595,611,615,618,638,640,641,642,662,663,664,667,680,681,682,689,690,691,698,699,700,701,702,709,710 +0394_00085 10,11,12,13,19,20,21,22,116,117,144,145,179,182,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,799,804,820,840,841,846,861,862 +0394_00086 10,11,12,13,19,20,21,22,144,145,151,152,179,182,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,783,798,799,819,820,840,841,846,861,862 +0394_00087 10,11,12,15,19,20,21,284,285,286,287,333,334,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686,709 +0394_00088 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,417,421,435,440,442,444,447,452,458,459,460,466,491,517,525,529,536,541,557,565,572,574,580,583,593,600,614,618,620,638,641,644,646,647,657,661,665,668,679,680,681,684,685,689,690 +0394_00089 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,417,421,435,440,442,444,447,452,458,459,460,466,491,517,525,529,536,541,557,565,572,574,580,583,593,600,614,618,620,641,642,644,646,647,657,661,665,668,679,680,684,685 +0394_00090 10,11,12,13,19,20,21,179,180,185,186,187,192,193,200,256,258,284,285,287,309,333,334,336,338,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,741,757,778,798,804,820 +0394_00091 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,568,572,580,583,593,614,618,638,644,646,647,657,664,680,681,682,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,825,840,861 +0394_00092 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00093 10,11,12,13,19,20,21,22,144,147,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,491,525,536,554,557,564,568,572,574,580,583,600,611,615,618,620,638,640,641,661,662,663,664,668,672,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713 +0394_00094 10,11,12,13,19,20,21,22,144,147,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,517,525,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,668,679,680,681,682,689,690,691,701,702,709,710,711,712,713 +0394_00095 10,11,12,13,19,20,21,22,179,182,186,189,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,690,691,701,702,709,710,711 +0394_00096 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,529,536,541,542,543,549,550,553,554,557,565,567,571,572,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,614,618,619,620,624,626,634,635,638,639,641,642,643,644,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,697,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0394_00097 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,600,615,638,640,641,644,661,663,664,679 +0394_00098 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,600,615,618,638,640,641,644,661,663,664,679 +0394_00099 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,165,167,168,256,257,258,259,260,261,262,263,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,375,377,381,385,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,507,517,521,524,525,528,531,536,539,540,546,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0394_00100 10,11,12,13,14,19,20,21,22,179,182,186,189,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,517,525,557,564,568,572,574,583,595,600,611,615,618,638,640,641,661,662,663,664,667,679,680,681,682,689,690,691,698,701,702,709,710 +0394_00101 10,11,12,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,433,444,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,697,699,701,702 +0394_00102 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,583,600,615,638,640,641,644,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00103 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,583,600,615,618,638,640,641,644,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00104 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,521,525,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,629,631,634,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,713,715,736,756,762,778,799,819,825 +0394_00105 10,11,12,15,19,20,144,146,147,179,180,256,284,285,286,287,309,333,334,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,567,571,574,575,579,583,585,591,593,595,596,600,604,605,607,608,609,613,614,615,616,618,619,620,635,638,641,642,652,656,657,660,661,665,667,668,669,678,679,680,681,684,689,690,691,697,699,701,702,709,710,711,715,778 +0394_00106 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,341,345,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,529,536,541,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,615,619,620,624,625,629,634,635,638,639,641,642,644,656,658,661,665,666,667,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0394_00107 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10,11,12,13,19,20,21,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,574,580,583,600,618,620,638,641,661,668,672,673,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00110 10,11,12,13,19,20,21,144,148,284,285,287,309,333,334,336,342,345,353,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,554,557,580,583,600,618,638,641,661,672,673,679,680,681,685,689,693,697,698,705,709,710,711,713 +0394_00111 10,11,12,13,19,20,21,144,148,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,583,600,618,620,638,641,661,665,668,679,680,681,685,689,690,709,710,711 +0394_00112 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,568,572,574,580,583,600,618,620,638,641,642,661,664,665,668,679 +0394_00113 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,568,572,574,580,583,600,618,620,638,641,642,661,664,665,668,679 +0394_00114 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,582,583,600,618,638,640,641,643,661,672,679,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00115 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,799,820 +0394_00116 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,799,820 +0394_00117 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,820,825 +0394_00118 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778 +0394_00119 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,342,345,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,583,606,615,618,638,663,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,799,819,820,840,841,861,862 +0394_00120 10,11,12,13,15,19,20,21,22,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,421,426,441,444,453,457,529,536,537,567,568,572,580,582,583,615,618,638,640,643,644,663,664,680,681,685,689,690,693,697,699,705 +0394_00121 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713 +0394_00122 10,11,12,13,19,20,21,284,285,287,333,334,336,342,345,353,367,375,381,406,417,421,433,435,441,442,444,447,453,463,477,491,499,517,525,536,538,554,557,574,580,582,583,589,595,600,606,620,638,641,643,661,667,672,673,679,680,681,682,685,687,689,690,693,697,698,699,705,709,710,711 +0394_00123 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,437,441,442,444,447,449,453,457,491,517,525,536,541,554,557,567,568,572,574,580,583,600,615,618,620,638,640,641,660,661,663,668,672,673,679,680,681,685,689,690,691,693,694,697,699,701,702,705,706 +0394_00124 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,537,557,567,568,580,582,583,600,615,618,638,640,641,643,644,661,663,679,680,681,685,689,690,693,697,699,705 +0394_00125 10,11,12,13,14,15,16,17,19,20,21,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,336,338,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,433,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,494,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,567,570,571,574,575,577,578,579,580,582,583,585,586,590,593,595,596,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,693,694,696,697,698,705,706,709,710,711,713,715,759,778,822 +0394_00126 10,11,12,13,19,20,21,144,145,147,151,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,582,583,606,615,618,638,641,643,661,672,673,679,680,681,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,840,841,861,862 +0394_00127 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0394_00128 10,11,12,13,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,421,426,441,444,453,457,536,568,572,580,583,615,618,638,640,663,664,680,681,685,689,690,693,697,699,705 +0394_00129 10,11,12,13,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,421,426,441,444,453,457,536,568,572,580,583,615,618,638,640,663,664,680,681,685,689,690,693,697,699,705 +0394_00130 10,11,12,15,16,17,19,20,21,22,31,32,179,181,182,184,185,186,256,257,284,285,286,287,300,302,309,315,333,339,340,341,342,345,346,347,352,353,356,359,366,367,376,377,378,379,380,382,385,388,390,391,393,394,396,397,400,401,404,407,408,412,417,419,421,426,438,439,440,442,443,444,450,451,452,454,457,465,473,483,485,488,489,494,496,500,505,507,515,520,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,614,618,622,625,629,637,638,639,640,644,648,655,657,658,660,664,674,675,681,682,683,684,691,692,703 +0394_00131 10,11,12,19,20,21,144,145,147,151,214,215,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,463,491,536,538,557,568,572,580,582,583,600,615,618,638,640,641,643,663,664,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,713,840,861 +0394_00132 10,11,12,19,20,21,144,147,179,182,228,229,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,564,568,572,574,580,583,595,600,615,618,638,641,642,662,663,667,673,680,681,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,712 +0394_00133 10,11,12,19,20,21,144,147,179,180,228,232,284,285,287,309,310,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,595,600,615,618,620,638,641,642,661,663,664,667,673,679,680,681,685,687,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,778 +0394_00134 10,11,12,19,20,21,144,147,151,154,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,667,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,778,798,799,804,819,820 +0394_00135 10,11,12,19,20,21,116,119,123,126,144,150,249,250,284,285,287,309,333,334,338,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,453,491,525,536,554,557,568,572,574,583,595,615,618,620,638,640,641,642,661,663,664,667,668,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711 +0394_00136 10,11,12,19,20,21,144,147,148,151,214,218,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,453,491,525,536,554,557,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713 +0394_00137 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0394_00138 10,11,12,13,19,20,21,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,536,557,564,572,574,583,595,600,615,618,620,638,640,641,642,661,662,667,668,679,680,681,689,690,691,702,709,710,711 +0394_00139 10,11,12,13,19,20,21,144,145,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,572,574,580,583,600,618,620,638,640,641,642,661,668,679,680,681,682,685,687,688,689,690,693,694,697,698,699,705,706,709,710,711,713,841,846,861,862 +0394_00140 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,583,600,618,620,638,641,642,661,665,668,679,680,681,685,690,691,693,694,702,706 +0394_00141 10,11,12,13,14,19,20,21,144,145,179,180,183,186,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,582,583,585,589,596,600,604,609,618,619,620,635,638,641,642,643,656,661,665,668,669,672,678,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711,712,713,840,841,861,862 +0394_00142 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,381,394,407,413,417,421,435,441,442,444,447,453,491,508,517,525,529,536,537,557,565,567,572,580,583,587,600,618,638,641,642,644,659,661,665,679,680,681,685,689,690,691,693,694,699,702,705,706 +0394_00143 10,11,12,13,19,20,21,22,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,698,701,702,709,710 +0394_00144 10,11,12,15,179,184,185,284,285,286,333,341,345,346,352,366,375,391,417,419,432,435,442,443,447,454,491,517,525,539,540,556,557,565,583,593,600,641,661,665,679,680,684 +0394_00145 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0394_00146 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0394_00147 10,11,12,13,15,19,20,21,284,285,286,287,333,345,346,347,352,353,366,367,375,381,391,392,406,417,421,435,441,442,444,447,453,491,517,525,536,541,557,580,583,593,600,613,614,615,638,641,661,679,680,681,682,683,685,686,687,689,690,693,697,699,705 +0394_00148 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0394_00149 10,11,12,13,19,20,21,22,179,182,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,421,433,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0394_00150 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00151 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00152 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,417,421,431,435,440,441,442,444,447,452,453,463,471,491,517,521,525,529,536,537,538,541,553,557,565,567,570,571,579,580,582,583,585,593,596,600,603,604,606,608,609,612,614,615,616,619,635,638,639,641,643,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,696,697,698,699,705,709,710,711 +0394_00153 10,11,12,13,14,15,19,20,21,22,144,145,147,151,179,180,181,182,183,186,187,189,193,196,200,207,284,285,286,287,300,309,333,334,335,336,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,431,435,442,447,491,525,529,541,557,560,564,568,572,583,593,600,611,613,614,615,618,638,640,641,642,644,657,661,662,663,664,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0394_00154 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0394_00155 10,11,12,13,14,19,20,21,22,116,119,144,145,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,574,583,600,611,615,618,620,638,640,641,642,661,662,663,664,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00156 10,11,12,13,14,19,20,21,22,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,421,433,444,536,564,568,572,580,583,611,615,618,638,640,662,663,664,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,798,819,840,841,861,862 +0394_00157 10,11,12,13,14,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,536,564,568,572,580,583,611,615,618,638,640,662,663,664,680,681,682,685,689,690,691,693,697,699,701,702,705 +0394_00158 10,11,12,13,14,19,20,116,119,179,183,284,285,287,309,333,334,335,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,557,564,565,568,574,580,582,583,595,600,606,615,618,620,638,641,642,643,661,662,664,665,667,668,679,680,685,689,697,698,709,710,711,712 +0394_00159 10,11,12,13,19,20,21,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,582,583,615,618,638,640,643,664,680,681,682,685,687,688,689,690,691,694,695,697,699,701,709,711 +0394_00160 10,11,12,13,19,20,21,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,688,689,690,691,694,695,697,699,709,711 +0394_00161 10,11,12,13,19,20,21,144,147,148,151,155,158,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,589,600,615,618,620,638,641,642,661,663,664,668,672,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,712,713,798,819 +0394_00162 10,11,12,13,19,20,21,130,131,144,145,179,180,183,186,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,736,741,756,757,778,799,804,819,820,840,861 +0394_00163 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00164 10,11,12,13,14,15,19,20,21,179,180,183,186,187,190,193,194,200,201,207,208,256,258,284,285,286,287,300,333,334,335,336,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,704,705,708,709,710,711,712,713,717,777,778,780,798,799,819,820 +0394_00165 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825 +0394_00166 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825 +0394_00167 10,11,12,13,14,19,20,21,144,145,179,180,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825,840,861 +0394_00168 10,11,12,13,14,19,20,21,22,144,148,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,453,463,491,499,525,536,538,554,557,564,568,572,580,582,583,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819 +0394_00169 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,618,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00170 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,618,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00171 10,11,12,13,14,19,20,21,179,180,183,186,187,190,193,200,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0394_00172 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0394_00173 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +0394_00174 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0394_00175 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,334,336,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,565,568,572,580,583,600,615,618,638,640,641,661,663,664,665,679,680,681,685,689,690,693,697,698,699,705,709,710 +0394_00176 10,11,12,13,15,16,17,19,20,21,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,366,367,375,376,391,393,394,419,421,437,440,444,449,451,452,454,488,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696,709,710 +0394_00177 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00178 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820 +0394_00179 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00180 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00181 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00182 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00183 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0394/0394_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0394/0394_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..d89bdd9cb --- /dev/null +++ b/processed_data/0394/0394_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,184 @@ +id bits.on +0394_00001 10,15,284,286,366,375,391,392,541 +0394_00002 10,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,644 +0394_00003 10,15,284,285,286,300,333,345,346,352,366,375,394,529,644 +0394_00004 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0394_00005 10,11,12,15,16,19,20,21,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,359,366,367,371,373,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,426,436,439,443,446,447,448,450,451,454,457,473,483,485,486,488,492,496,500,503,505,507,520,522,540,541,547,548,561,567,568,570,572,573,583,593,597,612,613,614,615,618,637,638,639,640,644,655,657,660,663,664,675,681,682,683,684,691,692,703 +0394_00006 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0394_00007 10,11,12,19,34,284,285,287,294,333,345,347,350,353,354,367,369,375,406,414,583,638,680,681,689,690,699 +0394_00008 10,11,12,13,19,20,21,22,144,145,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,580,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,685,689,690,691,693,694,695,697,699,701,702,705,707,709,710,711,713,861 +0394_00009 10,11,12,13,19,20,21,22,144,145,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,679,680,681,682,685,689,690,691,693,694,695,697,699,701,702,705,707,709,710,711,713,861 +0394_00010 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,662,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,709,710,711,715,736,762,778,799,825 +0394_00011 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0394_00012 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0394_00013 10,11,12,34,284,285,294,333,334,336,345,350,354,369,375,414,583,680,689,709,710,711 +0394_00014 10,11,12,34,284,285,294,333,345,350,354,369,375,413,508,587,659 +0394_00015 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0394_00016 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0394_00017 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0394_00018 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0394_00019 10,11,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,581,603,614,618,639,644,657,660 +0394_00020 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,582,603,618,640,643,644,646,647,657,660 +0394_00021 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0394_00022 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0394_00023 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0394_00024 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0394_00025 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0394_00026 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0394_00027 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0394_00028 10,11,15,19,20,144,146,147,179,181,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,583,593,614,618,638,639,644,657,660,680,681,682,684,689,690,691,699,702 +0394_00029 10,11,15,19,20,284,285,286,287,300,309,333,334,339,341,345,346,352,353,366,375,381,394,407,417,421,431,441,442,444,447,453,465,491,529,536,537,557,567,580,583,593,600,618,638,641,642,680,681,684,685,690,693 +0394_00030 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,699,700,705,709,710,711,777 +0394_00031 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,337,339,341,345,346,352,353,366,375,376,381,391,392,393,394,407,421,440,441,444,452,453,529,536,537,541,561,570,580,581,593,612,614,618,637,638,639,644,646,647,648,655,657,683,686,687,688 +0394_00032 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,414,421,441,444,453,536,580,583,615,638,680,681,690 +0394_00033 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,414,421,441,444,453,536,580,583,615,638,680,681,690 +0394_00034 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00035 10,11,12,19,20,21,22,34,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,409,417,431,435,442,447,459,460,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,635,638,640,641,642,652,656,661,662,663,664,665,667,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,715,778 +0394_00036 10,11,15,19,20,144,146,147,284,285,286,287,300,333,345,346,347,352,353,366,367,375,391,393,394,406,421,440,444,452,529,536,541,560,580,593,614,638,644,646,647,657,683,686,687 +0394_00037 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687 +0394_00038 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0394_00039 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00040 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00041 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,442,443,448,450,451,452,454,457,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,646,648,655,657,658,663,664,675,681,683,684,691,692,703 +0394_00042 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0394_00043 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0394_00044 10,11,15,19,20,284,285,287,302,333,345,347,353,367,375,402,424,456,583,638,681 +0394_00045 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 +0394_00046 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0394_00047 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0394_00048 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0394_00049 10,11,34,284,285,294,333,345,350,354,369,375,413,508,659 +0394_00050 10,11,34,284,285,294,333,345,350,354,369,375,414,583,680 +0394_00051 10,11,34,284,285,294,333,345,350,354,369,375,413,508,587,659 +0394_00052 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0394_00053 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0394_00054 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0394_00055 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,683,684,685,686,691,694,695,709,710 +0394_00056 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,683,684,685,686,691,694,695,709,711 +0394_00057 10,11,12,15,19,20,21,144,146,147,179,181,182,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,375,391,392,407,541,567,568,572,583,593,614,618,638,639,640,657,660,664,680,681,682,683,684,689,690,691,692,699,702,703,704 +0394_00058 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0394_00059 10,11,12,13,14,19,20,21,22,179,180,183,185,186,187,190,192,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,595,596,598,604,605,607,609,615,618,619,620,624,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0394_00060 10,11,15,16,19,179,181,182,256,257,284,285,286,287,333,341,342,345,346,352,353,356,358,359,366,371,373,374,375,377,388,391,397,404,417,419,421,432,433,436,438,442,443,444,446,447,448,450,454,473,483,486,491,492,494,495,496,500,503,507,517,522,524,536,537,539,540,541,546,547,548,554,557,570,571,578,581,586,593,603,612,614,625,657,658,666,673,674 +0394_00061 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0394_00062 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0394_00063 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0394_00064 10,11,12,13,19,20,21,22,144,145,179,180,183,186,187,190,193,194,197,200,207,256,258,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,589,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,706,707,709,710,711,712,713,714,720,735,736,756,757,777,783,798,799,819,820,840,841,861,862 +0394_00065 10,11,12,13,19,20,21,22,179,180,182,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,627,631,632,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0394_00066 10,11,12,19,20,21,34,35,144,147,284,285,287,294,333,334,340,342,345,347,350,353,354,367,369,375,381,406,413,417,421,431,441,442,444,453,480,508,536,554,574,582,589,595,615,640,643,667 +0394_00067 10,11,12,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0394_00068 10,11,34,284,285,294,333,345,350,354,369,375,414,583,680,689 +0394_00069 10,11,34,284,285,294,333,345,350,354,369,375,414,583,680,689 +0394_00070 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0394_00071 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0394_00072 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,366,375,381,391,393,394,406,407,421,441,444,452,453,529,536,537,541,560,567,580,583,593,603,613,614,618,638,644,646,647,660,681,685,709,710 +0394_00073 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00074 10,11,12,15,19,20,21,284,285,286,287,333,334,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0394_00075 10,11,12,15,16,17,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,376,381,391,393,394,407,413,419,421,440,441,444,451,452,453,454,488,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,660,681,684,685,692,696 +0394_00076 10,11,12,19,20,34,284,285,287,294,333,345,347,350,353,354,367,369,375,381,406,413,421,441,444,453,508,536,580,583,587,615,638,680,681,685,690,693 +0394_00077 10,11,12,19,20,21,22,284,285,287,309,345,347,353,367,406,407,568,572,615,663,664 +0394_00078 10,11,12,13,15,16,19,20,144,146,147,151,153,154,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711,713,759,822 +0394_00079 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,783,799,804,820,825 +0394_00080 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,783,799,804,820,825 +0394_00081 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,804,820,825 +0394_00082 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,442,447,491,557,564,568,572,574,583,600,611,615,618,638,640,641,662,663,664,668,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,777,778,799,820,825 +0394_00083 10,11,12,13,19,20,21,22,179,180,182,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,820,825 +0394_00084 10,11,12,13,19,20,21,22,144,147,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,435,442,447,491,517,557,564,568,572,574,583,595,611,615,618,638,640,641,642,662,663,664,667,680,681,682,689,690,691,698,699,700,701,702,709,710 +0394_00085 10,11,12,13,19,20,21,22,116,117,144,145,179,182,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,799,804,820,840,841,846,861,862 +0394_00086 10,11,12,13,19,20,21,22,144,145,151,152,179,182,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,783,798,799,819,820,840,841,846,861,862 +0394_00087 10,11,12,15,19,20,21,284,285,286,287,333,334,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686,709 +0394_00088 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,417,421,435,440,442,444,447,452,458,459,460,466,491,517,525,529,536,541,557,565,572,574,580,583,593,600,614,618,620,638,641,644,646,647,657,661,665,668,679,680,681,684,685,689,690 +0394_00089 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,417,421,435,440,442,444,447,452,458,459,460,466,491,517,525,529,536,541,557,565,572,574,580,583,593,600,614,618,620,641,642,644,646,647,657,661,665,668,679,680,684,685 +0394_00090 10,11,12,13,19,20,21,179,180,185,186,187,192,193,200,256,258,284,285,287,309,333,334,336,338,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,741,757,778,798,804,820 +0394_00091 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,568,572,580,583,593,614,618,638,644,646,647,657,664,680,681,682,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,825,840,861 +0394_00092 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00093 10,11,12,13,19,20,21,22,144,147,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,491,525,536,554,557,564,568,572,574,580,583,600,611,615,618,620,638,640,641,661,662,663,664,668,672,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713 +0394_00094 10,11,12,13,19,20,21,22,144,147,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,517,525,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,668,679,680,681,682,689,690,691,701,702,709,710,711,712,713 +0394_00095 10,11,12,13,19,20,21,22,179,182,186,189,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,690,691,701,702,709,710,711 +0394_00096 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,529,536,541,542,543,549,550,553,554,557,565,567,571,572,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,614,618,619,620,624,626,634,635,638,639,641,642,643,644,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,697,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0394_00097 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,600,615,638,640,641,644,661,663,664,679 +0394_00098 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,600,615,618,638,640,641,644,661,663,664,679 +0394_00099 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,165,167,168,256,257,258,259,260,261,262,263,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,375,377,381,385,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,507,517,521,524,525,528,531,536,539,540,546,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0394_00100 10,11,12,13,14,19,20,21,22,179,182,186,189,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,517,525,557,564,568,572,574,583,595,600,611,615,618,638,640,641,661,662,663,664,667,679,680,681,682,689,690,691,698,701,702,709,710 +0394_00101 10,11,12,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,433,444,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,697,699,701,702 +0394_00102 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,583,600,615,638,640,641,644,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00103 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,557,567,568,572,580,583,600,615,618,638,640,641,644,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00104 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,521,525,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,629,631,634,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,713,715,736,756,762,778,799,819,825 +0394_00105 10,11,12,15,19,20,144,146,147,179,180,256,284,285,286,287,309,333,334,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,567,571,574,575,579,583,585,591,593,595,596,600,604,605,607,608,609,613,614,615,616,618,619,620,635,638,641,642,652,656,657,660,661,665,667,668,669,678,679,680,681,684,689,690,691,697,699,701,702,709,710,711,715,778 +0394_00106 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,341,345,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,529,536,541,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,615,619,620,624,625,629,634,635,638,639,641,642,644,656,658,661,665,666,667,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0394_00107 10,11,12,15,19,20,144,146,147,149,150,151,256,257,284,285,286,287,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,375,377,385,388,391,392,397,398,404,407,417,419,421,431,432,433,438,442,443,444,450,454,463,465,471,473,483,491,494,495,496,507,521,522,524,525,531,536,537,538,539,540,541,546,550,553,554,556,557,565,571,572,578,579,580,583,585,586,593,596,598,601,603,604,608,609,614,618,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,678,679,680,681,684,685,689,690,693,696,697,698,699,700,705,708,709,710,711,713 +0394_00108 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,583,600,618,620,638,641,642,661,665,668,679,680,681,685,690,691,693,694,702,706 +0394_00109 10,11,12,13,19,20,21,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,574,580,583,600,618,620,638,641,661,668,672,673,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00110 10,11,12,13,19,20,21,144,148,284,285,287,309,333,334,336,342,345,353,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,554,557,580,583,600,618,638,641,661,672,673,679,680,681,685,689,693,697,698,705,709,710,711,713 +0394_00111 10,11,12,13,19,20,21,144,148,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,583,600,618,620,638,641,661,665,668,679,680,681,685,689,690,709,710,711 +0394_00112 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,568,572,574,580,583,600,618,620,638,641,642,661,664,665,668,679 +0394_00113 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,568,572,574,580,583,600,618,620,638,641,642,661,664,665,668,679 +0394_00114 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,582,583,600,618,638,640,641,643,661,672,679,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00115 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,799,820 +0394_00116 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,799,820 +0394_00117 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778,799,820,825 +0394_00118 10,11,12,13,19,20,21,22,179,180,182,186,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,777,778 +0394_00119 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,342,345,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,583,606,615,618,638,663,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,799,819,820,840,841,861,862 +0394_00120 10,11,12,13,15,19,20,21,22,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,421,426,441,444,453,457,529,536,537,567,568,572,580,582,583,615,618,638,640,643,644,663,664,680,681,685,689,690,693,697,699,705 +0394_00121 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713 +0394_00122 10,11,12,13,19,20,21,284,285,287,333,334,336,342,345,353,367,375,381,406,417,421,433,435,441,442,444,447,453,463,477,491,499,517,525,536,538,554,557,574,580,582,583,589,595,600,606,620,638,641,643,661,667,672,673,679,680,681,682,685,687,689,690,693,697,698,699,705,709,710,711 +0394_00123 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,437,441,442,444,447,449,453,457,491,517,525,536,541,554,557,567,568,572,574,580,583,600,615,618,620,638,640,641,660,661,663,668,672,673,679,680,681,685,689,690,691,693,694,697,699,701,702,705,706 +0394_00124 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,529,536,537,557,567,568,580,582,583,600,615,618,638,640,641,643,644,661,663,679,680,681,685,689,690,693,697,699,705 +0394_00125 10,11,12,13,14,15,16,17,19,20,21,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,336,338,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,433,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,494,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,567,570,571,574,575,577,578,579,580,582,583,585,586,590,593,595,596,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,693,694,696,697,698,705,706,709,710,711,713,715,759,778,822 +0394_00126 10,11,12,13,19,20,21,144,145,147,151,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,582,583,606,615,618,638,641,643,661,672,673,679,680,681,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,840,841,861,862 +0394_00127 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0394_00128 10,11,12,13,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,421,426,441,444,453,457,536,568,572,580,583,615,618,638,640,663,664,680,681,685,689,690,693,697,699,705 +0394_00129 10,11,12,13,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,421,426,441,444,453,457,536,568,572,580,583,615,618,638,640,663,664,680,681,685,689,690,693,697,699,705 +0394_00130 10,11,12,15,16,17,19,20,21,22,31,32,179,181,182,184,185,186,256,257,284,285,286,287,300,302,309,315,333,339,340,341,342,345,346,347,352,353,356,359,366,367,376,377,378,379,380,382,385,388,390,391,393,394,396,397,400,401,404,407,408,412,417,419,421,426,438,439,440,442,443,444,450,451,452,454,457,465,473,483,485,488,489,494,496,500,505,507,515,520,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,614,618,622,625,629,637,638,639,640,644,648,655,657,658,660,664,674,675,681,682,683,684,691,692,703 +0394_00131 10,11,12,19,20,21,144,145,147,151,214,215,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,463,491,536,538,557,568,572,580,582,583,600,615,618,638,640,641,643,663,664,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,713,840,861 +0394_00132 10,11,12,19,20,21,144,147,179,182,228,229,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,564,568,572,574,580,583,595,600,615,618,638,641,642,662,663,667,673,680,681,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,712 +0394_00133 10,11,12,19,20,21,144,147,179,180,228,232,284,285,287,309,310,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,595,600,615,618,620,638,641,642,661,663,664,667,673,679,680,681,685,687,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,778 +0394_00134 10,11,12,19,20,21,144,147,151,154,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,667,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,778,798,799,804,819,820 +0394_00135 10,11,12,19,20,21,116,119,123,126,144,150,249,250,284,285,287,309,333,334,338,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,453,491,525,536,554,557,568,572,574,583,595,615,618,620,638,640,641,642,661,663,664,667,668,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711 +0394_00136 10,11,12,19,20,21,144,147,148,151,214,218,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,453,491,525,536,554,557,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713 +0394_00137 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0394_00138 10,11,12,13,19,20,21,179,182,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,536,557,564,572,574,583,595,600,615,618,620,638,640,641,642,661,662,667,668,679,680,681,689,690,691,702,709,710,711 +0394_00139 10,11,12,13,19,20,21,144,145,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,572,574,580,583,600,618,620,638,640,641,642,661,668,679,680,681,682,685,687,688,689,690,693,694,697,698,699,705,706,709,710,711,713,841,846,861,862 +0394_00140 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,583,600,618,620,638,641,642,661,665,668,679,680,681,685,690,691,693,694,702,706 +0394_00141 10,11,12,13,14,19,20,21,144,145,179,180,183,186,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,582,583,585,589,596,600,604,609,618,619,620,635,638,641,642,643,656,661,665,668,669,672,678,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711,712,713,840,841,861,862 +0394_00142 10,11,12,13,15,19,20,21,34,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,381,394,407,413,417,421,435,441,442,444,447,453,491,508,517,525,529,536,537,557,565,567,572,580,583,587,600,618,638,641,642,644,659,661,665,679,680,681,685,689,690,691,693,694,699,702,705,706 +0394_00143 10,11,12,13,19,20,21,22,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,698,701,702,709,710 +0394_00144 10,11,12,15,179,184,185,284,285,286,333,341,345,346,352,366,375,391,417,419,432,435,442,443,447,454,491,517,525,539,540,556,557,565,583,593,600,641,661,665,679,680,684 +0394_00145 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0394_00146 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0394_00147 10,11,12,13,15,19,20,21,284,285,286,287,333,345,346,347,352,353,366,367,375,381,391,392,406,417,421,435,441,442,444,447,453,491,517,525,536,541,557,580,583,593,600,613,614,615,638,641,661,679,680,681,682,683,685,686,687,689,690,693,697,699,705 +0394_00148 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0394_00149 10,11,12,13,19,20,21,22,179,182,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,421,433,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0394_00150 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00151 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00152 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,417,421,431,435,440,441,442,444,447,452,453,463,471,491,517,521,525,529,536,537,538,541,553,557,565,567,570,571,579,580,582,583,585,593,596,600,603,604,606,608,609,612,614,615,616,619,635,638,639,641,643,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,696,697,698,699,705,709,710,711 +0394_00153 10,11,12,13,14,15,19,20,21,22,144,145,147,151,179,180,181,182,183,186,187,189,193,196,200,207,284,285,286,287,300,309,333,334,335,336,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,431,435,442,447,491,525,529,541,557,560,564,568,572,583,593,600,611,613,614,615,618,638,640,641,642,644,657,661,662,663,664,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0394_00154 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0394_00155 10,11,12,13,14,19,20,21,22,116,119,144,145,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,574,583,600,611,615,618,620,638,640,641,642,661,662,663,664,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00156 10,11,12,13,14,19,20,21,22,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,421,433,444,536,564,568,572,580,583,611,615,618,638,640,662,663,664,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,798,819,840,841,861,862 +0394_00157 10,11,12,13,14,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,536,564,568,572,580,583,611,615,618,638,640,662,663,664,680,681,682,685,689,690,691,693,697,699,701,702,705 +0394_00158 10,11,12,13,14,19,20,116,119,179,183,284,285,287,309,333,334,335,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,557,564,565,568,574,580,582,583,595,600,606,615,618,620,638,641,642,643,661,662,664,665,667,668,679,680,685,689,697,698,709,710,711,712 +0394_00159 10,11,12,13,19,20,21,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,582,583,615,618,638,640,643,664,680,681,682,685,687,688,689,690,691,694,695,697,699,701,709,711 +0394_00160 10,11,12,13,19,20,21,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,688,689,690,691,694,695,697,699,709,711 +0394_00161 10,11,12,13,19,20,21,144,147,148,151,155,158,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,589,600,615,618,620,638,641,642,661,663,664,668,672,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,712,713,798,819 +0394_00162 10,11,12,13,19,20,21,130,131,144,145,179,180,183,186,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,736,741,756,757,778,799,804,819,820,840,861 +0394_00163 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0394_00164 10,11,12,13,14,15,19,20,21,179,180,183,186,187,190,193,194,200,201,207,208,256,258,284,285,286,287,300,333,334,335,336,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,704,705,708,709,710,711,712,713,717,777,778,780,798,799,819,820 +0394_00165 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825 +0394_00166 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825 +0394_00167 10,11,12,13,14,19,20,21,144,145,179,180,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820,825,840,861 +0394_00168 10,11,12,13,14,19,20,21,22,144,148,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,453,463,491,499,525,536,538,554,557,564,568,572,580,582,583,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819 +0394_00169 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,618,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00170 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,618,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0394_00171 10,11,12,13,14,19,20,21,179,180,183,186,187,190,193,200,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0394_00172 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0394_00173 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +0394_00174 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0394_00175 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,334,336,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,565,568,572,580,583,600,615,618,638,640,641,661,663,664,665,679,680,681,685,689,690,693,697,698,699,705,709,710 +0394_00176 10,11,12,13,15,16,17,19,20,21,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,366,367,375,376,391,393,394,419,421,437,440,444,449,451,452,454,488,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696,709,710 +0394_00177 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00178 10,11,12,13,14,19,20,21,179,180,183,186,187,193,194,200,201,207,208,256,284,285,287,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,777,778,798,799,819,820 +0394_00179 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00180 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00181 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00182 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0394_00183 10,11,12,13,14,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,375,381,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0394/0394_gradient.tsv b/processed_data/0394/0394_gradient.tsv new file mode 100644 index 000000000..5c68f25c3 --- /dev/null +++ b/processed_data/0394/0394_gradient.tsv @@ -0,0 +1,7 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 95 5 +1.5 0.4 95 5 +12 0.4 5 95 +14 0.4 5 95 +14.01 0.4 0 100 +17 0.4 0 100 diff --git a/processed_data/0394/0394_info.tsv b/processed_data/0394/0394_info.tsv new file mode 100644 index 000000000..dbd5f6b50 --- /dev/null +++ b/processed_data/0394/0394_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0394 PredRet Submitted by Fangyuan Sun ACQUITY_UPLC_HSSC18_QTOF_20min temperature, column id, column length, column particle size diff --git a/processed_data/0394/0394_metadata.tsv b/processed_data/0394/0394_metadata.tsv new file mode 100644 index 000000000..7edd41a3c --- /dev/null +++ b/processed_data/0394/0394_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0394 Waters ACQUITY UPLC HSS T3 L1 0.4 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/processed_data/0394/0394_report_canonical.pdf b/processed_data/0394/0394_report_canonical.pdf new file mode 100644 index 000000000..638a2d461 Binary files /dev/null and b/processed_data/0394/0394_report_canonical.pdf differ diff --git a/processed_data/0394/0394_report_isomeric.pdf b/processed_data/0394/0394_report_isomeric.pdf new file mode 100644 index 000000000..ac0ce484a Binary files /dev/null and b/processed_data/0394/0394_report_isomeric.pdf differ diff --git a/processed_data/0394/0394_rtdata_canonical_success.tsv b/processed_data/0394/0394_rtdata_canonical_success.tsv new file mode 100644 index 000000000..45d61d5ff --- /dev/null +++ b/processed_data/0394/0394_rtdata_canonical_success.tsv @@ -0,0 +1,184 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0394_00001 C3H9N 0.705625 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) +0394_00002 C3H9N 0.705625 CC(C)N InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 JJWLVOIRVHMVIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0394_00003 C46H109N15 0.705625 CCCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN InChI=1S/C46H109N15/c1-2-3-26-55(35-12-41-60(43-14-37-56(27-4-18-47)28-5-19-48)44-15-38-57(29-6-20-49)30-7-21-50)36-13-42-61(45-16-39-58(31-8-22-51)32-9-23-52)46-17-40-59(33-10-24-53)34-11-25-54/h2-54H2,1H3 ONDXBPYTFHIBEQ-UHFFFAOYSA-N +0394_00004 C5H14NO 0.705966667 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0394_00005 C8H14N3O7P 0.711033333 C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16) PDACUKOKVHBVHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0394_00006 C7H15NO3 0.74995 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0394_00007 C8H18OS 0.750033333 CCCCC(CCOC)S InChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3 HRYCNFLXCKVTER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Dialkyl ethers (CHEMONTID:0001167) NA (NA) +0394_00008 C18H28O9 0.7551 C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22) JFDNMLUPLXZXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00009 C18H28O9 0.7551 CC(C=CCC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22) LAYQBSCEPAXXNJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00010 C18H28O9 0.7551 COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(CO2)O)O)O InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3 OWQQMQRFNZHYAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00011 C5H14NO4P 0.7611 C[N+](C)(C)CCOP(=O)(O)[O-] InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9) YHHSONZFOIEMCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Phosphocholines (CHEMONTID:0001250) +0394_00012 C8H20NO6P 0.7611 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0394_00013 C8H18S 0.766275 CCCCC(CC)CS InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 UCJMHYXRQZYNNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiols (CHEMONTID:0002485) Alkylthiols (CHEMONTID:0001212) NA (NA) NA (NA) +0394_00014 C12H22O4S2 0.766275 C(CCSCCCC(=O)O)CSCCCC(=O)O InChI=1S/C12H22O4S2/c13-11(14)5-3-9-17-7-1-2-8-18-10-4-6-12(15)16/h1-10H2,(H,13,14)(H,15,16) FTOUHVWCDCWZTP-UHFFFAOYSA-N +0394_00015 C7H15NO2 0.771741667 CCCCCC(C(=O)O)N InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10) RDFMDVXONNIGBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00016 C7H15NO2 0.771741667 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0394_00017 C7H16NO2 0.771741667 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0394_00018 C2H7NO3S 0.7773 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0394_00019 C5H9NO4 0.786116667 C(CNCC(=O)O)C(=O)O InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10) GAUBNQMYYJLWNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00020 C5H9NO4 0.786116667 CC(=O)NC(CO)C(=O)O InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) JJIHLJJYMXLCOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00021 C5H9NO4 0.786116667 CNC(CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10) HOKKHZGPKSLGJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00022 C5H9NO4 0.786116667 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00023 C5H9NO4 0.786116667 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00024 C4H7N3O 0.793716667 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00025 C3H7NO2 0.805616667 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0394_00026 C3H7NO2 0.805616667 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00027 C3H7NO2 0.805616667 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00028 C7H13NO2 0.818425 C1C2CC(C(N2)CC1O)O InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2 MVUIPZFMWQBRCM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0394_00029 C7H13NO2 0.818425 CCCC(=C)C(C(=O)O)N InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10) ZJMPUKNPMYTOOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00030 C8H15NO2 0.828066667 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0394_00031 C12H24N4O4 0.828616667 CC(NC(=O)C(CC(=O)O)N)NC(=O)N(C)C(C)(C)C InChI=1S/C12H24N4O4/c1-7(14-10(19)8(13)6-9(17)18)15-11(20)16(5)12(2,3)4/h7-8H,6,13H2,1-5H3,(H,14,19)(H,15,20)(H,17,18) ACQJWVPNGVNRCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00032 C10H20O2S 0.838475 CCCC(CCOC(=O)CCC)S InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3 TZNJKOLXWHXDAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00033 C10H20O2S 0.838475 CCCCCCOC(=O)CC(C)S InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3 HDYQKQAKXIPCAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00034 C9H17NO4 0.838766667 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0394_00035 C14H20O10S 0.842183333 COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)O InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20) LILHPDXFNPJEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00036 C5H9NO2 0.8505 COC1CCC(=O)N1 InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7) VULIHENHKGDFAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0394_00037 C6H11NO4 0.912483333 CC(=O)OCCC(C(=O)O)N InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10) FCXZBWSIAGGPCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00038 C6H11NO4 0.912483333 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00039 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) LNQVTSROQXJCDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0394_00040 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) QDFHPFSBQFLLSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0394_00041 C10H14N5O7P 0.933583333 C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) GEQDRKVFKBSPSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0394_00042 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0394_00043 C10H14N5O7P 0.933583333 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0394_00044 C5H11NO2 1.01655 CCCCCON=O InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 CSDTZUBPSYWZDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic O-nitroso compounds (CHEMONTID:0004778) NA (NA) +0394_00045 C5H11NO2 1.01655 CC(C)(C(=O)O)NC InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) DLAMVQGYEVKIRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00046 C5H11NO2 1.01655 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0394_00047 C5H11NO2 1.01655 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00048 C5H11NO2 1.01655 CCCC(C(=O)O)N InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) SNDPXSYFESPGGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00049 C6H14S 1.0179 CC(C)SC(C)C InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3 XYWDPYKBIRQXQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Dialkylthioethers (CHEMONTID:0003862) NA (NA) NA (NA) +0394_00050 C27H54O12P2S4 1.0179 CC(CP(CCCCCCS(=O)(=O)[O-])CCCCCCS(=O)(=O)[O-])P(CCCCCCS(=O)(=O)[O-])CCCCCCS(=O)(=O)[O-] InChI=1S/C27H58O12P2S4/c1-27(41(20-12-4-8-16-24-44(34,35)36)21-13-5-9-17-25-45(37,38)39)26-40(18-10-2-6-14-22-42(28,29)30)19-11-3-7-15-23-43(31,32)33/h27H,2-26H2,1H3,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-4 YPMUOTUBHMAYIG-UHFFFAOYSA-J +0394_00051 C14H34O4SSi2 1.0179 CCO[SiH](CCCSCCC[SiH](OCC)OCC)OCC InChI=1S/C14H34O4SSi2/c1-5-15-20(16-6-2)13-9-11-19-12-10-14-21(17-7-3)18-8-4/h20-21H,5-14H2,1-4H3 TXCDUUVXZQIMPW-UHFFFAOYSA-N +0394_00052 C4H5N3O 1.0181 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0394_00053 C10H15N5O3 1.0307 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0394_00054 C5H11NO2S 1.038375 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00055 C11H20N2O5 1.051191667 CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)O)N InChI=1S/C11H20N2O5/c1-6(2)5-7(12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18) NFNVDJGXRFEYTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0394_00056 C11H20N2O5 1.051191667 CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)N InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18) KTGFOCFYOZQVRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0394_00057 C8H15NO4 1.0518 CN1C2CCC1(C(C(C2O)O)O)O InChI=1S/C8H15NO4/c1-9-4-2-3-8(9,13)7(12)6(11)5(4)10/h4-7,10-13H,2-3H2,1H3 GZDWTPRPLBRISA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0394_00058 C15H14O7 1.053016667 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 XMOCLSLCDHWDHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0394_00059 C32H26O14 1.05375 CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C(=CC3=O)C4=CC(=C5C(=C4O)C(=C6C(OC(CC6=C5O)CC(=O)O)C)O)O InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33,39,41,43H,3-6H2,1-2H3,(H,35,36)(H,37,38) MGFJRQUGYNFFDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0394_00060 C6H6N2O 1.061883333 CC(=O)C1=NC=CN=C1 InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 DBZAKQWXICEWNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0394_00061 C6H6N2O 1.061883333 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0394_00062 C5H4N4O 1.104916667 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0394_00063 C5H4N4O 1.104916667 C1=NNC2=C1C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrazolopyrimidines (CHEMONTID:0000305) Pyrazolo[3,4-d]pyrimidines (CHEMONTID:0004387) NA (NA) NA (NA) +0394_00064 C30H22O12 1.111491667 CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=O)C4C(C3C5C46C(=C(C7=C(C=C(C(=C7C6=O)O)C)O)O)C(=O)CC5O)O)O InChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,31-33,35-36,39-40H,5H2,1-2H3 NYZUFCNQVDNNGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones 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(CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) N-acyl amines (CHEMONTID:0001096) NA (NA) +0394_00090 C27H32O5 4.367375 CC(=CCC1=C(C=C2C(=C1OC)CC(CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)OC)C InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3 RVKDAOFCDAPVGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Pyranoisoflavonoids (CHEMONTID:0003530) NA (NA) NA (NA) +0394_00091 C26H45NO7S 4.428233333 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34) XSOLDPYUICCHJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0394_00092 C26H45NO7S 4.428233333 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34) WBWWGRHZICKQGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0394_00093 C24H40O12 4.4369 CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3 VXZUZURNJDKPBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00094 C24H40O12 4.4369 CC1=CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C)O InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3 FCEJNLVNFSUDTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00095 C22H40O11 4.52035 CC(CCC=C(C)C)CCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3 UPVBTYUCCOHEPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00096 C19H24N2O3 4.52035 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0394_00097 C27H44NO7P 4.653633333 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)(O)OCCN)O InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32) XEVRBOQZSXWGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 1-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001677) +0394_00098 C27H44NO7P 4.653633333 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COP(=O)(O)OCCN InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32) TWBVHOYVCUOMJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 2-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001680) +0394_00099 C34H40N4O4 4.775116667 CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42) UHSGPDMIQQYNAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0394_00100 C32H56O13 4.812275 CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CCC=C(C)CCC(C(C)(C)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C32H56O13/c1-7-32(6,45-30-28(40)26(38)24(36)21(17-34)43-30)15-9-12-18(2)10-8-11-19(3)13-14-22(31(4,5)41)44-29-27(39)25(37)23(35)20(16-33)42-29/h7,11-12,20-30,33-41H,1,8-10,13-17H2,2-6H3 OZHKUJVWCFTHRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0394_00101 C14H26O7 4.885483333 CCCCCC(=O)CCOC1C(C(C(C(O1)CO)O)O)O InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3 LXYZKMJJLXYZTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00102 C21H42NO7P 4.906708333 CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26) DSOWUEHXZJUNID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 1-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001677) +0394_00103 C21H42NO7P 4.906708333 CCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26) MAFRHGZTIOAXEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 2-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001680) +0394_00104 C12H17NO2 4.980708333 CN1CCC2=CC(=C(C=C2C1)OC)OC InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 TXPPKWZEHFNZOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrahydroisoquinolines (CHEMONTID:0002955) NA (NA) NA (NA) NA (NA) +0394_00105 C12H17NO2 4.980708333 CC1(N(CC(O1)C2=CC=C(C=C2)O)C)C InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3 JJIWDWMLQCSXFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0394_00106 C12H17NO2 4.980708333 CC(C)COC(=O)C1=CC=CC=C1NC InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3 WKYZGTHZBSYUFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0394_00107 C12H17NO2 4.980708333 CC1=C2CCCN2C(=C1C)C(=O)C(C)O InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3 ZCNNVEPQSPOCJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolizines (CHEMONTID:0000219) NA (NA) NA (NA) NA (NA) +0394_00108 C20H30O4 4.987283333 CCC=CCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24) BISQPGCQOHLHQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosapentaenoic acids (CHEMONTID:0000214) NA (NA) +0394_00109 C20H30O4 4.987283333 CC(C)C1=CC2(CCC3C(C2CC1=O)(CCCC3(C)C(=O)O)C)O InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23) BDGVLOCEQIJJDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) NA (NA) NA (NA) +0394_00110 C20H30O4 4.987283333 CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24) FMKLAIBZMCURLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00111 C20H30O4 4.987283333 CCCCCC(C=CC1=CCC(=O)C1CC=CCCCC(=O)O)O InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24) CMBOTAQMTNMTBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00112 C22H32O5 5.01315 CCC=CCC(C(C=CC=CC=CC=CC(CC=CCCC(=O)O)O)O)O InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27) IKFAUGXNBOBQDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0394_00113 C22H32O5 5.01315 CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27) OIWTWACQMDFHJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0394_00114 C22H32O5 5.01315 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(CC(=O)O)O)C)O InChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27) MSUMOHDXPKCNSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0394_00115 C16H30O8 5.0803 CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3 SNALOKSNSOHGKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00116 C16H30O8 5.0803 CC1CCC(CC1O)C(C)(COC2C(C(C(C(O2)CO)O)O)O)O InChI=1S/C16H30O8/c1-8-3-4-9(5-10(8)18)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3 KRTKKVIKRTZKGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00117 C16H30O8 5.0803 CC1(CCC(CC1O)C(C)(C)OC2C(C(C(C(O2)CO)O)O)O)O InChI=1S/C16H30O8/c1-15(2,8-4-5-16(3,22)10(18)6-8)24-14-13(21)12(20)11(19)9(7-17)23-14/h8-14,17-22H,4-7H2,1-3H3 RPCUMNYZTIHHPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00118 C16H30O8 5.0803 CC(C)(C1CCC(CC1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3 PHDIOUHOXBJRFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00119 C22H34O5 5.167241667 CC(=O)OC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)O)C)C(=O)OC InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3 XLXLWRGGUYSHOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Kaurane diterpenoids (CHEMONTID:0003782) NA (NA) +0394_00120 C25H50NO9P 5.172875 CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O InChI=1S/C25H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)33-19-22(27)20-34-36(31,32)35-21-23(26)25(29)30/h22-23,27H,2-21,26H2,1H3,(H,29,30)(H,31,32) QZTQWDNDCFZUCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoserines (CHEMONTID:0002218) Lysophosphatidylserines (CHEMONTID:0001377) 1-acyl-glycerol-3-phosphoserines (CHEMONTID:0001681) +0394_00121 C24H36O6 5.18035 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)(C)O InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3 FUCXPWLYQFERRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0394_00122 C24H36O6 5.18035 COC(=CC(=O)OC)C(=O)C(CCCCCCCC=CCC=CCC=C)C(=O)OC InChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3 DSALQCDYXNDYHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0394_00123 C32H60NO10P 5.433291667 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(C=CC=O)O InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,29-30,35H,5-18,20,22-24,26-28H2,1-4H3 LQATVQHXAXOSAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0394_00124 C32H60NO10P 5.433291667 CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)OCC(C(=O)O)N InChI=1S/C32H60NO10P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(34)40-25-28(26-41-44(38,39)42-27-29(33)32(36)37)43-31(35)24-22-20-18-15-12-10-8-6-4-2/h9,11,28-29H,3-8,10,12-27,33H2,1-2H3,(H,36,37)(H,38,39) BJLYAMRCULEYQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoserines (CHEMONTID:0002218) Phosphatidylserines (CHEMONTID:0001367) NA (NA) +0394_00125 C37H50N6O6 5.471791667 CCC(C)C(C(=O)NC(C(C)C)C(=O)NC1C(=O)NC(C(=O)NCC(=O)C2=CC=C(C=C2)OC1(C)C)CC3=CNC4=CC=CC=C43)N(C)C InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46) ATQXXRJEZULCTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0394_00126 C29H40O5 5.530508333 CCC(=O)C1CC(C2(O1)CC(=O)C3(C2(CCC4=C3CCC5C4(C=CC(=O)C5(C)CO)C)C)C)C InChI=1S/C29H40O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h11-12,17,21-22,30H,7-10,13-16H2,1-6H3 BQWYLPVWSPZWPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0394_00127 C37H64O13 5.563558333 CC(C)C(CCC(C)C1CC(C2C1(CCC3C2(CC(C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C)O)O)C)O)OC6C(C(C(CO6)O)O)O InChI=1S/C37H64O13/c1-17(2)26(50-34-31(45)29(43)25(41)16-48-34)7-6-18(3)20-13-22(38)32-36(20,5)11-9-27-35(4)10-8-19(12-21(35)23(39)14-37(27,32)46)49-33-30(44)28(42)24(40)15-47-33/h17-34,38-46H,6-16H2,1-5H3 RUJMEHNWWBTFFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) NA (NA) NA (NA) +0394_00128 C24H49O9P 5.642733333 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30) HFJVKBVEKQHVTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Lysophosphatidylglycerols (CHEMONTID:0000297) NA (NA) +0394_00129 C24H49O9P 5.642733333 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(CO)O InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30) ZYKIFISVQNGKFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Lysophosphatidylglycerols (CHEMONTID:0000297) NA (NA) +0394_00130 C9H18N5O15P3 5.675283333 C(C(C(C1C(N(C2=C(N1)C(=O)NC(=N2)N)O)O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O InChI=1S/C9H18N5O15P3/c10-9-12-6-4(7(17)13-9)11-3(8(18)14(6)19)5(16)2(15)1-27-31(23,24)29-32(25,26)28-30(20,21)22/h2-3,5,8,11,15-16,18-19H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,10,12,13,17) LANZWJSPZAYYNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Biopterins and derivatives (CHEMONTID:0001651) NA (NA) +0394_00131 C15H20O5 6.310883333 CC1C2C(CC1=O)C(=C)CCC3C2OC(=O)C3(CO)O InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3 XJUFXNXZZRHROZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Guaianolides and derivatives (CHEMONTID:0001770) +0394_00132 C15H20O5 6.310883333 CC12CCC(OC1C3C(CCC(=O)C2)C(=C)C(=O)O3)O InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3 LBKCMFUBEOROEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxanes (CHEMONTID:0002012) NA (NA) NA (NA) NA (NA) +0394_00133 C15H20O5 6.310883333 CC12CCC(C(=CCC3C(C1O)OC(=O)C3=C)C2)OO InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3 JXXWNBNYEWOORY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0394_00134 C15H20O5 6.310883333 CC1(C2CC=C3COC4C3C2(C(CC1O)O)C(=O)O4)C InChI=1S/C15H20O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-12,16-17H,4-6H2,1-2H3 OWJATCNSNAVKNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furofurans (CHEMONTID:0001816) NA (NA) NA (NA) NA (NA) +0394_00135 C15H20O5 6.310883333 CC1=C2C(CC3(C(O3)CCC4(C(C2O)O4)C)C)OC1=O InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3 BWSYOMVQMMVGIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0394_00136 C15H20O5 6.310883333 CC1C2CCC(C3=C(C2OC1=O)C(CC3=O)(C)O)(C)O InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3 ZSOYDVICJGNUTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0394_00137 C12H25NO2 6.54215 C(CCCCCC(=O)O)CCCCCN InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15) PBLZLIFKVPJDCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0394_00138 C18H30O6 8.50805 CCCCCC(C=CC1C(C(CC(O1)O)O)CC=CCC(=O)O)O InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22) RJHNVFKNIJQTQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Thromboxanes (CHEMONTID:0000519) NA (NA) +0394_00139 C18H30O6 8.50805 CCCCCC(C=CC1C(CC(C1CC(=O)CCC(=O)O)O)O)O InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24) DNKGWNLXBRCUCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00140 C20H34O7 8.548416667 C(CCC(O)(O)O)CC=CCC(CCC=CC=CC(CCCC(=O)O)O)O InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24) LSVHZFZMMXHHBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosatrienoic acids (CHEMONTID:0000030) NA (NA) +0394_00141 C33H42O5 8.607683333 CC(=CCC1(C(=O)C(=C(C(=C(C2=CC=CC=C2)O)C1=O)O)CC3C(CCC3(C)O)C(=C)C)CC=C(C)C)C InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,34-35,38H,5,15-19H2,1-4,6-7H3 XMVYTWVWYJLUHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0394_00142 C23H39NO6S 9.021975 CCCCCC=CCC(CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N)O InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30) FZJOTYMARNGISF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosatrienoic acids (CHEMONTID:0000030) NA (NA) +0394_00143 C21H36O9 9.027066667 CC(=CCCC(=CC(=O)OC1C(C(C(C(O1)CO)O)O)O)C)CCC(C(C)(C)O)O InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3 MSRVZJWXQUEINS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00144 C12H17N 9.093283333 CC=CC=CC=CC1=NCCCC1 InChI=1S/C12H17N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-6,9H,7-8,10-11H2,1H3 DHQABWCNLXWKMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Tetrahydropyridines (CHEMONTID:0001934) NA (NA) +0394_00145 C27H45NO4 9.127416667 CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h18-21,25,29H,2-17,22H2,1H3,(H,28,30)(H,31,32) YKWCFTGLODSOSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00146 C25H47NO4 9.561491667 CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3 IPOLTUVFXFHAHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0394_00147 C25H47NO4 9.561491667 CCCCCCC=CCCCCCCCCCC(=O)OC(CCC(=O)[O-])[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3 HITOYGLMAFIRNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00148 C27H53NO3 9.771425 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O InChI=1S/C27H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25-27(30)31/h2-25H2,1H3,(H,28,29)(H,30,31) VUYRTQJMRATAFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00149 C28H50O10 9.816125 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3 WWWXDCNRNMZGEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0394_00150 C42H72O13 9.821775 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 SWIROVJVGRGSPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00151 C42H72O13 9.821775 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 RWXIFXNRCLMQCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00152 C41H64N4O8 9.850358333 CCCCCC1C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N2CCCC2C(=O)N(C(C(=O)O1)C(C)CC)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)C InChI=1S/C41H64N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h14,16-17,19-20,25-28,30-35H,11-13,15,18,21-24H2,1-10H3,(H,42,46) NIFSOTSGUFBSPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Depsipeptides (CHEMONTID:0001961) Cyclic depsipeptides (CHEMONTID:0001994) NA (NA) +0394_00153 C39H63NO11 9.856358333 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1 InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3 KRQDMAXNTWLTDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00154 C39H63NO11 9.856358333 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3 OCVQAFQRXHOFMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00155 C36H60O10 9.900525 CC(=CC(C1C(O1)(C)C)O)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C InChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3 OUICDHFBMJCDTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00156 C34H56O9 9.928133333 CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(=O)C5)C)C)OC1(CCC(C)COC6C(C(C(C(O6)CO)O)O)O)OC InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3 BDENGJXHUIIQRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00157 C32H60O11 10.36936667 CCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1O)O)OC2C(C(C(OC2OCCCC)CO)O)O)C InChI=1S/C32H60O11/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24(34)42-29-22(3)40-31(28(38)27(29)37)43-30-26(36)25(35)23(21-33)41-32(30)39-20-7-5-2/h22-23,25-33,35-38H,4-21H2,1-3H3 GSHHCUYNHSPHDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00158 C33H44O3 10.4409 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2(C(O2)C(=O)C)O)C)C InChI=1S/C33H44O3/c1-24(16-11-17-26(3)21-22-30-27(4)19-13-23-32(30,7)8)14-9-10-15-25(2)18-12-20-28(5)33(35)31(36-33)29(6)34/h9-12,14-18,20-22,31,35H,13,19,23H2,1-8H3 YDOUJCMZGQTKDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00159 C24H44O7 10.46288333 CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29) REVZBRXEBPWDRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0394_00160 C24H44O7 10.46288333 CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23(29)24(30,19-21(25)26)20-22(27)28/h30H,2-20H2,1H3,(H,25,26)(H,27,28) QILIJDWPBISFBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0394_00161 C23H28O5 10.59711667 CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3 IEPYKUBVROCHOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0394_00162 C23H28O5 10.59711667 CC1=CC(=CC(=C1C(=O)OC2CC3(C2C(=CC4C3CC(C4)(C)C)C=O)C)O)O InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3 NFCOJBIECSQMAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Illudanes and illudins (CHEMONTID:0001777) Melleolides and analogues (CHEMONTID:0001776) +0394_00163 C41H70O12 10.837825 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C)C)O)C)O)C InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3 DGSOBIYFLJXVQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00164 C44H57NO4 10.94954167 CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)COC(=O)C6=CC=CC=C6)C)C)C)C)OC(=O)C7=CC=C(C=C7)N)C InChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3 VKNUHXUEPNYSDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00165 C39H54O6 10.98234167 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1C)C)C(=O)O InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44) FEVUQLLYZLSRLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00166 C39H54O6 10.98234167 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44) KWLOAKAXMOYBRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00167 C39H54O6 10.98234167 CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C(=O)O InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44) AQHKWALTXQHZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00168 C35H54O10 10.98236667 CCC(C(C)C)C(=O)CC(C)C1=C(C(=O)C2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O InChI=1S/C35H54O10/c1-7-20(16(2)3)23(36)14-17(4)24-26(37)27(38)25-21-9-8-18-15-19(10-12-34(18,5)22(21)11-13-35(24,25)6)44-33-30(41)28(39)29(40)31(45-33)32(42)43/h16-22,25,28-31,33,37,39-41H,7-15H2,1-6H3,(H,42,43) NRXAOKUYKSNYAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroid glucuronide conjugates (CHEMONTID:0001447) NA (NA) +0394_00169 C37H50O5 11.01005833 CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41) WTRSURIFLHBSLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00170 C37H50O5 11.01005833 CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O InChI=1S/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41) RGCBYGZECVEZKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00171 C35H46O4 11.03775 CC1=CC(C(CC1)C(C)C)C2=C(C(=C(C(=C2O)C(=O)CCC3=CC=CC=C3)O)C4C=C(CCC4C(C)C)C)O InChI=1S/C35H46O4/c1-20(2)25-15-12-22(5)18-27(25)30-33(37)31(28-19-23(6)13-16-26(28)21(3)4)35(39)32(34(30)38)29(36)17-14-24-10-8-7-9-11-24/h7-11,18-21,25-28,37-39H,12-17H2,1-6H3 FQRJPQZSBBWOMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0394_00172 C21H32O2 11.83286667 CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3 ORNBQBCIOKFOEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00173 C21H32O2 11.83286667 CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3 RWBRUCCWZPSBFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00174 C21H32O2 11.83286667 CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3 XMRPGKVKISIQBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00175 C36H67O10P 12.06476667 CCCCCCC=CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OCC(CO)O InChI=1S/C36H67O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-36(40)46-34(31-45-47(41,42)44-29-33(38)28-37)30-43-35(39)26-23-20-18-17-19-22-25-32(2)3/h9-12,32-34,37-38H,4-8,13-31H2,1-3H3,(H,41,42) JDPXOFGDHXVNAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00176 C20H38N6O4 12.18168333 CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23) GDBQQVLCIARPGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0394_00177 C38H71O10P 13.0368 CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCC InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44) GHQNERCMPIDAAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00178 C41H58O5 13.091575 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)OC)C)C)C2C1)C)C(=O)OC)C InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3 JDJFVYIDKQYTCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00179 C40H73O10P 13.8534 CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(CO)O InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46) SZOXZKIJYLNJHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00180 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC(CO)O InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41-42H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,45,46) HTKSHFXCKKXOLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00181 C40H73O10P 13.8534 CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46) PTJBFPPEYDFAAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00182 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCC=CCC=CCCCCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46) MVHBCRUZHMRQHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00183 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCC=CCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46) MLANVLMRGHBUJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) diff --git a/processed_data/0394/0394_rtdata_isomeric_success.tsv b/processed_data/0394/0394_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..e38ea57fb --- /dev/null +++ b/processed_data/0394/0394_rtdata_isomeric_success.tsv @@ -0,0 +1,184 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0394_00001 C3H9N 0.705625 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) +0394_00002 C3H9N 0.705625 CC(C)N InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 JJWLVOIRVHMVIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0394_00003 C46H109N15 0.705625 CCCN InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 WGYKZJWCGVVSQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0394_00004 C5H14NO 0.705966667 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0394_00005 C8H14N3O7P 0.711033333 C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16) PDACUKOKVHBVHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0394_00006 C7H15NO3 0.74995 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0394_00007 C8H18OS 0.750033333 CCCCC(CCOC)S InChI=1S/C8H18OS/c1-3-4-5-8(10)6-7-9-2/h8,10H,3-7H2,1-2H3 HRYCNFLXCKVTER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Dialkyl ethers (CHEMONTID:0001167) NA (NA) +0394_00008 C18H28O9 0.7551 C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22) JFDNMLUPLXZXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00009 C18H28O9 0.7551 CC(/C=C/CC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+ LAYQBSCEPAXXNJ-NSCUHMNNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00010 C18H28O9 0.7551 COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(CO2)O)O)O InChI=1S/C18H28O9/c1-24-15-7-11(3-2-6-19)4-5-14(15)27-12(8-20)9-25-18-17(23)16(22)13(21)10-26-18/h4-5,7,12-13,16-23H,2-3,6,8-10H2,1H3 OWQQMQRFNZHYAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00011 C5H14NO4P 0.7611 C[N+](C)(C)CCOP(=O)(O)[O-] InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9) YHHSONZFOIEMCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Phosphocholines (CHEMONTID:0001250) +0394_00012 C8H20NO6P 0.7611 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0394_00013 C8H18S 0.766275 CCCCC(CC)CS InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 UCJMHYXRQZYNNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiols (CHEMONTID:0002485) Alkylthiols (CHEMONTID:0001212) NA (NA) NA (NA) +0394_00014 C12H22O4S2 0.766275 CCCCSCCCC InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 HTIRHQRTDBPHNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Dialkylthioethers (CHEMONTID:0003862) NA (NA) NA (NA) +0394_00015 C7H15NO2 0.771741667 CCCCCC(C(=O)O)N InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10) RDFMDVXONNIGBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00016 C7H15NO2 0.771741667 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0394_00017 C7H16NO2 0.771741667 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0394_00018 C2H7NO3S 0.7773 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0394_00019 C5H9NO4 0.786116667 C(CNCC(=O)O)C(=O)O InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10) GAUBNQMYYJLWNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00020 C5H9NO4 0.786116667 CC(=O)NC(CO)C(=O)O InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) JJIHLJJYMXLCOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00021 C5H9NO4 0.786116667 CNC(CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10) HOKKHZGPKSLGJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00022 C5H9NO4 0.786116667 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00023 C5H9NO4 0.786116667 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00024 C4H7N3O 0.793716667 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00025 C3H7NO2 0.805616667 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0394_00026 C3H7NO2 0.805616667 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00027 C3H7NO2 0.805616667 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00028 C7H13NO2 0.818425 C1C2CC(C(N2)CC1O)O InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2 MVUIPZFMWQBRCM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0394_00029 C7H13NO2 0.818425 CCCC(=C)C(C(=O)O)N InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10) ZJMPUKNPMYTOOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00030 C8H15NO2 0.828066667 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0394_00031 C12H24N4O4 0.828616667 CC(NC(=O)C(CC(=O)O)N)NC(=O)N(C)C(C)(C)C InChI=1S/C12H24N4O4/c1-7(14-10(19)8(13)6-9(17)18)15-11(20)16(5)12(2,3)4/h7-8H,6,13H2,1-5H3,(H,14,19)(H,15,20)(H,17,18) ACQJWVPNGVNRCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00032 C10H20O2S 0.838475 CCCC(CCOC(=O)CCC)S InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3 TZNJKOLXWHXDAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00033 C10H20O2S 0.838475 CCCCCCOC(=O)CC(C)S InChI=1S/C10H20O2S/c1-3-4-5-6-7-12-10(11)8-9(2)13/h9,13H,3-8H2,1-2H3 HDYQKQAKXIPCAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00034 C9H17NO4 0.838766667 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0394_00035 C14H20O10S 0.842183333 COC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OS(=O)(=O)O InChI=1S/C14H20O10S/c1-21-9-4-2-8(3-5-9)7-22-14-13(24-25(18,19)20)12(17)11(16)10(6-15)23-14/h2-5,10-17H,6-7H2,1H3,(H,18,19,20) LILHPDXFNPJEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00036 C5H9NO2 0.8505 COC1CCC(=O)N1 InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7) VULIHENHKGDFAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0394_00037 C6H11NO4 0.912483333 CC(=O)OCCC(C(=O)O)N InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10) FCXZBWSIAGGPCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00038 C6H11NO4 0.912483333 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00039 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) LNQVTSROQXJCDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0394_00040 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) QDFHPFSBQFLLSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0394_00041 C10H14N5O7P 0.933583333 C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) GEQDRKVFKBSPSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0394_00042 C10H14N5O7P 0.933583333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0394_00043 C10H14N5O7P 0.933583333 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0394_00044 C5H11NO2 1.01655 CCCCCON=O InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 CSDTZUBPSYWZDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic O-nitroso compounds (CHEMONTID:0004778) NA (NA) +0394_00045 C5H11NO2 1.01655 CC(C)(C(=O)O)NC InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) DLAMVQGYEVKIRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00046 C5H11NO2 1.01655 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0394_00047 C5H11NO2 1.01655 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00048 C5H11NO2 1.01655 CCCC(C(=O)O)N InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) SNDPXSYFESPGGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00049 C6H14S 1.0179 CC(C)SC(C)C InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3 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(CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0394_00079 C16H28O8 3.992041667 CC1(C2CC(C(O1)(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3 ZAYDZFSAMSYTBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00080 C16H28O8 3.992041667 CC1(C2(CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C InChI=1S/C16H28O8/c1-14(2)16(21)5-4-15(3,24-14)9(6-16)23-13-12(20)11(19)10(18)8(7-17)22-13/h8-13,17-21H,4-7H2,1-3H3 KTPRFNBCDRCCJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00081 C16H28O8 3.992041667 CC1(C2CC(C(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)O)C InChI=1S/C16H28O8/c1-15(2)7-4-9(18)16(3,24-15)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3 YOOVLDBPAMVHGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00082 C16H28O8 3.992041667 CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)CO)O InChI=1S/C16H28O8/c1-8(6-17)9-3-4-16(2,22)11(5-9)24-15-14(21)13(20)12(19)10(7-18)23-15/h9-15,17-22H,1,3-7H2,2H3 DDQFHDNWZKJNLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00083 C16H28O8 3.992041667 CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)CO)C InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3 IULDBYINDUBFDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00084 C16H28O8 3.992041667 CC(C)(C1CCC(O1)(CO)C=C)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3 QSBRHMSGMHEVKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00085 C16H28O8 3.992041667 CC1(CC(C2(C1C2)C(C)(C)O)O)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3 XCEFCWBOZHJCAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00086 C16H28O8 3.992041667 CC1(C2C(CC(C2O)(C1OC3C(C(C(C(O3)CO)O)O)O)C)O)C InChI=1S/C16H28O8/c1-15(2)8-6(18)4-16(3,12(8)22)14(15)24-13-11(21)10(20)9(19)7(5-17)23-13/h6-14,17-22H,4-5H2,1-3H3 QSWGTHMJOKIYMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00087 C12H23NO4 4.0399 CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3 IHCPDBBYTYJYIL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0394_00088 C22H37NO5S 4.088883333 CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O)O InChI=1S/C22H37NO5S/c1-2-3-13-16-21(24)17-14-11-9-7-5-4-6-8-10-12-15-18-22(25)23-19-20-29(26,27)28/h4-5,8-11,14,17,21,24H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,25)(H,26,27,28)/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1 HTGCVHGWSMJHHD-BPVVGZHASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) N-acyl amines (CHEMONTID:0001096) NA (NA) +0394_00089 C22H37NO5S 4.088883333 CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O)O InChI=1S/C22H37NO5S/c1-2-3-4-5-10-13-16-21(24)17-14-11-8-6-7-9-12-15-18-22(25)23-19-20-29(26,27)28/h7-11,13-14,17,21,24H,2-6,12,15-16,18-20H2,1H3,(H,23,25)(H,26,27,28)/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1 MXYVCCTWGGKTFE-KUJNIBRASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) N-acyl amines (CHEMONTID:0001096) NA (NA) +0394_00090 C27H32O5 4.367375 CC(=CCC1=C(C=C2C(=C1OC)CC(CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)OC)C InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3 RVKDAOFCDAPVGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Pyranoisoflavonoids (CHEMONTID:0003530) NA (NA) NA (NA) +0394_00091 C26H45NO7S 4.428233333 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34) XSOLDPYUICCHJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0394_00092 C26H45NO7S 4.428233333 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34) WBWWGRHZICKQGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0394_00093 C24H40O12 4.4369 CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h7,13,15-21,25,27-32H,5-6,8-11H2,1-4H3 VXZUZURNJDKPBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00094 C24H40O12 4.4369 CC1=CC(CC(C1(/C=C/C(C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O)(C)C)O InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+ FCEJNLVNFSUDTK-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00095 C22H40O11 4.52035 CC(CCC=C(C)C)CCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3 UPVBTYUCCOHEPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00096 C19H24N2O3 4.52035 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0394_00097 C27H44NO7P 4.653633333 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)O InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m1/s1 XEVRBOQZSXWGQO-PAUXXPOVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 1-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001677) +0394_00098 C27H44NO7P 4.653633333 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(CO)COP(=O)(O)OCCN InChI=1S/C27H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h3-4,6-7,9-10,12-13,15-16,18-19,26,29H,2,5,8,11,14,17,20-25,28H2,1H3,(H,31,32) TWBVHOYVCUOMJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 2-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001680) +0394_00099 C34H40N4O4 4.775116667 CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42) UHSGPDMIQQYNAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0394_00100 C32H56O13 4.812275 C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)/CC/C=C(\C)/CCC(C(C)(C)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C32H56O13/c1-7-32(6,45-30-28(40)26(38)24(36)21(17-34)43-30)15-9-12-18(2)10-8-11-19(3)13-14-22(31(4,5)41)44-29-27(39)25(37)23(35)20(16-33)42-29/h7,11-12,20-30,33-41H,1,8-10,13-17H2,2-6H3/b18-12+,19-11+ OZHKUJVWCFTHRG-IDXRHMDNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0394_00101 C14H26O7 4.885483333 CCCCCC(=O)CCOC1C(C(C(C(O1)CO)O)O)O InChI=1S/C14H26O7/c1-2-3-4-5-9(16)6-7-20-14-13(19)12(18)11(17)10(8-15)21-14/h10-15,17-19H,2-8H2,1H3 LXYZKMJJLXYZTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00102 C21H42NO7P 4.906708333 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1 DSOWUEHXZJUNID-WHXUGTBJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 1-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001677) +0394_00103 C21H42NO7P 4.906708333 CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7-/t20-/m1/s1 MAFRHGZTIOAXEL-WHXUGTBJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoethanolamines (CHEMONTID:0002215) Lysophosphatidylethanolamines (CHEMONTID:0001405) 2-acyl-sn-glycero-3-phosphoethanolamines (CHEMONTID:0001680) +0394_00104 C12H17NO2 4.980708333 CN1CCC2=CC(=C(C=C2C1)OC)OC InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 TXPPKWZEHFNZOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrahydroisoquinolines (CHEMONTID:0002955) NA (NA) NA (NA) NA (NA) +0394_00105 C12H17NO2 4.980708333 CC1(N(CC(O1)C2=CC=C(C=C2)O)C)C InChI=1S/C12H17NO2/c1-12(2)13(3)8-11(15-12)9-4-6-10(14)7-5-9/h4-7,11,14H,8H2,1-3H3 JJIWDWMLQCSXFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0394_00106 C12H17NO2 4.980708333 CC(C)COC(=O)C1=CC=CC=C1NC InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3 WKYZGTHZBSYUFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0394_00107 C12H17NO2 4.980708333 CC1=C2CCCN2C(=C1C)C(=O)C(C)O InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3 ZCNNVEPQSPOCJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolizines (CHEMONTID:0000219) NA (NA) NA (NA) NA (NA) +0394_00108 C20H30O4 4.987283333 CCC=CCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24) BISQPGCQOHLHQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosapentaenoic acids (CHEMONTID:0000214) NA (NA) +0394_00109 C20H30O4 4.987283333 CC(C)C1=CC2(CCC3C(C2CC1=O)(CCCC3(C)C(=O)O)C)O InChI=1S/C20H30O4/c1-12(2)13-11-20(24)9-6-15-18(3,16(20)10-14(13)21)7-5-8-19(15,4)17(22)23/h11-12,15-16,24H,5-10H2,1-4H3,(H,22,23) BDGVLOCEQIJJDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) NA (NA) NA (NA) +0394_00110 C20H30O4 4.987283333 CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24) FMKLAIBZMCURLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00111 C20H30O4 4.987283333 CCCCCC(C=CC1=CCC(=O)C1CC=CCCCC(=O)O)O InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24) CMBOTAQMTNMTBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00112 C22H32O5 5.01315 CCC=CCC(C(C=CC=CC=CC=CC(CC=CCCC(=O)O)O)O)O InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27) IKFAUGXNBOBQDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0394_00113 C22H32O5 5.01315 CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27) OIWTWACQMDFHJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0394_00114 C22H32O5 5.01315 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(CC(=O)O)O)C)O InChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15-,16+,17?,18-,20+,21-,22-/m0/s1 MSUMOHDXPKCNSB-CUOJZFFHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0394_00115 C16H30O8 5.0803 CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3 SNALOKSNSOHGKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00116 C16H30O8 5.0803 CC1CCC(CC1O)C(C)(COC2C(C(C(C(O2)CO)O)O)O)O InChI=1S/C16H30O8/c1-8-3-4-9(5-10(8)18)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3 KRTKKVIKRTZKGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00117 C16H30O8 5.0803 CC1(CCC(CC1O)C(C)(C)OC2C(C(C(C(O2)CO)O)O)O)O InChI=1S/C16H30O8/c1-15(2,8-4-5-16(3,22)10(18)6-8)24-14-13(21)12(20)11(19)9(7-17)23-14/h8-14,17-22H,4-7H2,1-3H3 RPCUMNYZTIHHPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00118 C16H30O8 5.0803 CC(C)(C1CCC(CC1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3 PHDIOUHOXBJRFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0394_00119 C22H34O5 5.167241667 CC(=O)OC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)O)C)C(=O)OC InChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3 XLXLWRGGUYSHOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Kaurane diterpenoids (CHEMONTID:0003782) NA (NA) +0394_00120 C25H50NO9P 5.172875 CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O InChI=1S/C25H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)33-19-22(27)20-34-36(31,32)35-21-23(26)25(29)30/h22-23,27H,2-21,26H2,1H3,(H,29,30)(H,31,32) QZTQWDNDCFZUCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoserines (CHEMONTID:0002218) Lysophosphatidylserines (CHEMONTID:0001377) 1-acyl-glycerol-3-phosphoserines (CHEMONTID:0001681) +0394_00121 C24H36O6 5.18035 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)(C)O InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3 FUCXPWLYQFERRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0394_00122 C24H36O6 5.18035 CO/C(=C/C(=O)OC)/C(=O)C(CCCCCCC/C=C/C/C=C/CC=C)C(=O)OC InChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3/b8-7+,11-10+,21-19+ DSALQCDYXNDYHC-ZMEURTSISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0394_00123 C32H60NO10P 5.433291667 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(/C=C/C=O)O InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,29-30,35H,5-18,20,22-24,26-28H2,1-4H3/b21-19+ LQATVQHXAXOSAU-XUTLUUPISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0394_00124 C32H60NO10P 5.433291667 CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@@H](C(=O)O)N InChI=1S/C32H60NO10P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(34)40-25-28(26-41-44(38,39)42-27-29(33)32(36)37)43-31(35)24-22-20-18-15-12-10-8-6-4-2/h9,11,28-29H,3-8,10,12-27,33H2,1-2H3,(H,36,37)(H,38,39)/b11-9-/t28-,29+/m1/s1 BJLYAMRCULEYQU-OFPCIANHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoserines (CHEMONTID:0002218) Phosphatidylserines (CHEMONTID:0001367) NA (NA) +0394_00125 C37H50N6O6 5.471791667 CCC(C)C(C(=O)NC(C(C)C)C(=O)NC1C(=O)NC(C(=O)NCC(=O)C2=CC=C(C=C2)OC1(C)C)CC3=CNC4=CC=CC=C43)N(C)C InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46) ATQXXRJEZULCTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0394_00126 C29H40O5 5.530508333 CCC(=O)C1CC(C2(O1)CC(=O)C3(C2(CCC4=C3CCC5C4(C=CC(=O)C5(C)CO)C)C)C)C InChI=1S/C29H40O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h11-12,17,21-22,30H,7-10,13-16H2,1-6H3 BQWYLPVWSPZWPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0394_00127 C37H64O13 5.563558333 C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@H](C([C@@H](CO1)O)O)O)[C@H]2C[C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@H](C([C@@H](CO6)O)O)O)C)O)O)C)O InChI=1S/C37H64O13/c1-17(2)26(50-34-31(45)29(43)25(41)16-48-34)7-6-18(3)20-13-22(38)32-36(20,5)11-9-27-35(4)10-8-19(12-21(35)23(39)14-37(27,32)46)49-33-30(44)28(42)24(40)15-47-33/h17-34,38-46H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27-,28?,29?,30+,31+,32-,33+,34+,35+,36-,37+/m1/s1 RUJMEHNWWBTFFU-LHZQERGRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) NA (NA) NA (NA) +0394_00128 C24H49O9P 5.642733333 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30) HFJVKBVEKQHVTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Lysophosphatidylglycerols (CHEMONTID:0000297) NA (NA) +0394_00129 C24H49O9P 5.642733333 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(CO)O InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30) ZYKIFISVQNGKFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Lysophosphatidylglycerols (CHEMONTID:0000297) NA (NA) +0394_00130 C9H18N5O15P3 5.675283333 C(C(C(C1C(N(C2=C(N1)C(=O)NC(=N2)N)O)O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O InChI=1S/C9H18N5O15P3/c10-9-12-6-4(7(17)13-9)11-3(8(18)14(6)19)5(16)2(15)1-27-31(23,24)29-32(25,26)28-30(20,21)22/h2-3,5,8,11,15-16,18-19H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,10,12,13,17) LANZWJSPZAYYNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Biopterins and derivatives (CHEMONTID:0001651) NA (NA) +0394_00131 C15H20O5 6.310883333 CC1C2C(CC1=O)C(=C)CCC3C2OC(=O)C3(CO)O InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3 XJUFXNXZZRHROZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Guaianolides and derivatives (CHEMONTID:0001770) +0394_00132 C15H20O5 6.310883333 CC12CCC(OC1C3C(CCC(=O)C2)C(=C)C(=O)O3)O InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3 LBKCMFUBEOROEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxanes (CHEMONTID:0002012) NA (NA) NA (NA) NA (NA) +0394_00133 C15H20O5 6.310883333 C[C@]12CC[C@H](/C(=C/C[C@@H]3[C@@H]([C@H]1O)OC(=O)C3=C)/C2)OO InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3/b9-3+/t10-,11+,12-,13+,15+/m0/s1 JXXWNBNYEWOORY-KHTYUQOESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0394_00134 C15H20O5 6.310883333 CC1(C2CC=C3COC4C3C2(C(CC1O)O)C(=O)O4)C InChI=1S/C15H20O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8-12,16-17H,4-6H2,1-2H3 OWJATCNSNAVKNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furofurans (CHEMONTID:0001816) NA (NA) NA (NA) NA (NA) +0394_00135 C15H20O5 6.310883333 CC1=C2C(CC3(C(O3)CCC4(C(C2O)O4)C)C)OC1=O InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3 BWSYOMVQMMVGIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0394_00136 C15H20O5 6.310883333 CC1C2CCC(C3=C(C2OC1=O)C(CC3=O)(C)O)(C)O InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3 ZSOYDVICJGNUTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0394_00137 C12H25NO2 6.54215 C(CCCCCC(=O)O)CCCCCN InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15) PBLZLIFKVPJDCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0394_00138 C18H30O6 8.50805 CCCCCC(C=CC1C(C(CC(O1)O)O)CC=CCC(=O)O)O InChI=1S/C18H30O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h5-6,10-11,13-16,18-20,23H,2-4,7-9,12H2,1H3,(H,21,22) RJHNVFKNIJQTQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Thromboxanes (CHEMONTID:0000519) NA (NA) +0394_00139 C18H30O6 8.50805 CCCCCC(C=CC1C(CC(C1CC(=O)CCC(=O)O)O)O)O InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24) DNKGWNLXBRCUCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0394_00140 C20H34O7 8.548416667 C(CCC(O)(O)O)C/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/b4-3+,6-2-,13-8-/t17-,18-/m0/s1 LSVHZFZMMXHHBS-MNBASXMYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosatrienoic acids (CHEMONTID:0000030) NA (NA) +0394_00141 C33H42O5 8.607683333 CC(=CCC1(C(=O)C(=C(C(=C(C2=CC=CC=C2)O)C1=O)O)CC3C(CCC3(C)O)C(=C)C)CC=C(C)C)C InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,34-35,38H,5,15-19H2,1-4,6-7H3 XMVYTWVWYJLUHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0394_00142 C23H39NO6S 9.021975 CCCCC/C=C\C[C@@H](C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@H](C(=O)O)N)O InChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,15,18-21,25-26H,2-5,11-14,16-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6-,9-7+,15-10+/t18-,19+,20-,21+/m0/s1 FZJOTYMARNGISF-YXSOTRFDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Hydroxyeicosatrienoic acids (CHEMONTID:0000030) NA (NA) +0394_00143 C21H36O9 9.027066667 C/C(=C\CC/C(=C/C(=O)OC1C(C(C(C(O1)CO)O)O)O)/C)/CCC(C(C)(C)O)O InChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+ MSRVZJWXQUEINS-WAAHFECUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0394_00144 C12H17N 9.093283333 CC=CC=CC=CC1=NCCCC1 InChI=1S/C12H17N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-6,9H,7-8,10-11H2,1H3 DHQABWCNLXWKMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Tetrahydropyridines (CHEMONTID:0001934) NA (NA) +0394_00145 C27H45NO4 9.127416667 CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h18-21,25,29H,2-17,22H2,1H3,(H,28,30)(H,31,32) YKWCFTGLODSOSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00146 C25H47NO4 9.561491667 CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3 IPOLTUVFXFHAHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0394_00147 C25H47NO4 9.561491667 CCCCCC/C=C/CCCCCCCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1 HITOYGLMAFIRNI-YSESTWPTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0394_00148 C27H53NO3 9.771425 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O InChI=1S/C27H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25-27(30)31/h2-25H2,1H3,(H,28,29)(H,30,31) VUYRTQJMRATAFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0394_00149 C28H50O10 9.816125 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3 WWWXDCNRNMZGEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0394_00150 C42H72O13 9.821775 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 SWIROVJVGRGSPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00151 C42H72O13 9.821775 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 RWXIFXNRCLMQCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00152 C41H64N4O8 9.850358333 CCCCCC1C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O1)C(C)CC)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)C InChI=1S/C41H64N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h14,16-17,19-20,25-28,30-35H,11-13,15,18,21-24H2,1-10H3,(H,42,46)/t27?,28?,30-,31-,32?,33-,34-,35-/m0/s1 NIFSOTSGUFBSPF-CVZHIFNESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Depsipeptides (CHEMONTID:0001961) Cyclic depsipeptides (CHEMONTID:0001994) NA (NA) +0394_00153 C39H63NO11 9.856358333 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1 InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3 KRQDMAXNTWLTDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00154 C39H63NO11 9.856358333 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3 OCVQAFQRXHOFMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00155 C36H60O10 9.900525 CC(=CC(C1C(O1)(C)C)O)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C InChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3 OUICDHFBMJCDTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00156 C34H56O9 9.928133333 CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(=O)C5)C)C)OC1(CCC(C)COC6C(C(C(C(O6)CO)O)O)O)OC InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3 BDENGJXHUIIQRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0394_00157 C32H60O11 10.36936667 CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C([C@@H](OC1C)OC2[C@H]([C@@H](C(O[C@H]2OCCCC)CO)O)O)O)O InChI=1S/C32H60O11/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24(34)42-29-22(3)40-31(28(38)27(29)37)43-30-26(36)25(35)23(21-33)41-32(30)39-20-7-5-2/h22-23,25-33,35-38H,4-21H2,1-3H3/t22?,23?,25-,26+,27-,28?,29+,30?,31+,32-/m1/s1 GSHHCUYNHSPHDT-YYGLJWJKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0394_00158 C33H44O3 10.4409 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C2(C(O2)C(=O)C)O)\C)/C InChI=1S/C33H44O3/c1-24(16-11-17-26(3)21-22-30-27(4)19-13-23-32(30,7)8)14-9-10-15-25(2)18-12-20-28(5)33(35)31(36-33)29(6)34/h9-12,14-18,20-22,31,35H,13,19,23H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,24-14+,25-15-,26-17-,28-20+ YDOUJCMZGQTKDH-WDNAESAISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00159 C24H44O7 10.46288333 CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29) REVZBRXEBPWDRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0394_00160 C24H44O7 10.46288333 CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-23(29)24(30,19-21(25)26)20-22(27)28/h30H,2-20H2,1H3,(H,25,26)(H,27,28) QILIJDWPBISFBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0394_00161 C23H28O5 10.59711667 CC1=CC(=O)C2(C1C3=C(C2=O)C45CCCC(C4C(C3O)OC5=O)(C)C)C(C)C InChI=1S/C23H28O5/c1-10(2)23-12(24)9-11(3)14(23)13-15(19(23)26)22-8-6-7-21(4,5)18(22)17(16(13)25)28-20(22)27/h9-10,14,16-18,25H,6-8H2,1-5H3 IEPYKUBVROCHOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0394_00162 C23H28O5 10.59711667 CC1=CC(=CC(=C1C(=O)OC2CC3(C2C(=CC4C3CC(C4)(C)C)C=O)C)O)O InChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3 NFCOJBIECSQMAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Illudanes and illudins (CHEMONTID:0001777) Melleolides and analogues (CHEMONTID:0001776) +0394_00163 C41H70O12 10.837825 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C)C)O)C)O)C InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3 DGSOBIYFLJXVQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00164 C44H57NO4 10.94954167 CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)COC(=O)C6=CC=CC=C6)C)C)C)C)OC(=O)C7=CC=C(C=C7)N)C InChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3 VKNUHXUEPNYSDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00165 C39H54O6 10.98234167 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1C)C)C(=O)O InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44) FEVUQLLYZLSRLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00166 C39H54O6 10.98234167 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44) KWLOAKAXMOYBRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00167 C39H54O6 10.98234167 CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C)C)C(=O)O InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+ AQHKWALTXQHZKK-XNTDXEJSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00168 C35H54O10 10.98236667 CC[C@H](C(C)C)C(=O)C[C@@H](C)C1=C(C(=O)[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O InChI=1S/C35H54O10/c1-7-20(16(2)3)23(36)14-17(4)24-26(37)27(38)25-21-9-8-18-15-19(10-12-34(18,5)22(21)11-13-35(24,25)6)44-33-30(41)28(39)29(40)31(45-33)32(42)43/h16-22,25,28-31,33,37,39-41H,7-15H2,1-6H3,(H,42,43)/t17-,18+,19+,20-,21-,22+,25+,28+,29+,30-,31+,33-,34+,35-/m1/s1 NRXAOKUYKSNYAW-HDRDTERVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroid glucuronide conjugates (CHEMONTID:0001447) NA (NA) +0394_00169 C37H50O5 11.01005833 CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O InChI=1S/C37H50O5/c1-22-15-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)13-14-27-34(5)17-16-28(42-31(39)24-11-9-8-10-12-24)33(3,4)30(34)26(38)21-36(27,35)7/h8-13,22-23,27-30H,14-21H2,1-7H3,(H,40,41) WTRSURIFLHBSLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00170 C37H50O5 11.01005833 CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O InChI=1S/C37H50O5/c1-22-13-18-37(32(40)41)20-19-35(6)25(29(37)23(22)2)21-26(38)30-34(5)16-15-28(42-31(39)24-11-9-8-10-12-24)33(3,4)27(34)14-17-36(30,35)7/h8-12,21-23,27-30H,13-20H2,1-7H3,(H,40,41) RGCBYGZECVEZKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00171 C35H46O4 11.03775 CC1=C[C@@H]([C@H](CC1)C(C)C)C2=C(C(=C(C(=C2O)C(=O)CCC3=CC=CC=C3)O)[C@H]4C=C(CC[C@@H]4C(C)C)C)O InChI=1S/C35H46O4/c1-20(2)25-15-12-22(5)18-27(25)30-33(37)31(28-19-23(6)13-16-26(28)21(3)4)35(39)32(34(30)38)29(36)17-14-24-10-8-7-9-11-24/h7-11,18-21,25-28,37-39H,12-17H2,1-6H3/t25-,26-,27+,28+/m1/s1 FQRJPQZSBBWOMS-VIJSPRBVSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0394_00172 C21H32O2 11.83286667 CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3 ORNBQBCIOKFOEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00173 C21H32O2 11.83286667 CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3 RWBRUCCWZPSBFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00174 C21H32O2 11.83286667 CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3 XMRPGKVKISIQBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0394_00175 C36H67O10P 12.06476667 CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O InChI=1S/C36H67O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-36(40)46-34(31-45-47(41,42)44-29-33(38)28-37)30-43-35(39)26-23-20-18-17-19-22-25-32(2)3/h9-12,32-34,37-38H,4-8,13-31H2,1-3H3,(H,41,42)/b10-9-,12-11-/t33-,34+/m0/s1 JDPXOFGDHXVNAK-VHUPYEGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00176 C20H38N6O4 12.18168333 CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23) GDBQQVLCIARPGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0394_00177 C38H71O10P 13.0368 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCC InChI=1S/C38H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39-40H,3-12,17-34H2,1-2H3,(H,43,44)/b15-13-,16-14-/t35-,36+/m0/s1 GHQNERCMPIDAAU-NWHZUZAFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00178 C41H58O5 13.091575 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)OC)C)C)C2C1)C)C(=O)OC)C InChI=1S/C41H58O5/c1-36(2)22-24-41(35(43)45-9)25-23-39(6)29(30(41)26-36)15-16-32-38(5)20-19-33(37(3,4)31(38)18-21-40(32,39)7)46-34(42)17-12-27-10-13-28(44-8)14-11-27/h10-15,17,30-33H,16,18-26H2,1-9H3/b17-12+ JDJFVYIDKQYTCC-SFQUDFHCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0394_00179 C40H73O10P 13.8534 CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1 SZOXZKIJYLNJHR-IEVJMAIKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00180 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,37-38,41-42H,3-10,12,14-16,19-20,22,24-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,23-21-/t37-,38+/m0/s1 HTKSHFXCKKXOLW-WJAPAJAMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00181 C40H73O10P 13.8534 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,37-38,41-42H,3-10,12,15,19-36H2,1-2H3,(H,45,46)/b13-11-,16-14-,18-17-/t37-,38+/m0/s1 PTJBFPPEYDFAAQ-IEVJMAIKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00182 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1 MVHBCRUZHMRQHX-UIWSMAGISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) +0394_00183 C40H73O10P 13.8534 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-/t37-,38+/m0/s1 MLANVLMRGHBUJH-FTZNWAQRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphoglycerols (CHEMONTID:0002216) Phosphatidylglycerols (CHEMONTID:0001358) NA (NA) diff --git a/processed_data/0394/0394_validation_qspr_outliers.tsv b/processed_data/0394/0394_validation_qspr_outliers.tsv new file mode 100644 index 000000000..cd6d5ecb3 --- /dev/null +++ b/processed_data/0394/0394_validation_qspr_outliers.tsv @@ -0,0 +1,21 @@ +id error +0394_00008 3.883192219772844 +0394_00009 3.6861137116131775 +0394_00010 3.2338799777486225 +0394_00066 3.3281732524085403 +0394_00078 3.5849689890399246 +0394_00099 3.1343640100372143 +0394_00100 3.5547927988104924 +0394_00122 4.45006089502506 +0394_00124 5.418168460686391 +0394_00125 3.5299891073089285 +0394_00127 4.7472249247931515 +0394_00130 5.082500055319766 +0394_00137 4.185309368206189 +0394_00139 3.7075629295001926 +0394_00140 3.134919554267909 +0394_00142 3.337952651218683 +0394_00144 4.727312614474081 +0394_00161 5.0358766953265075 +0394_00162 4.244497323982877 +0394_00176 4.918012503025391 diff --git a/processed_data/0395/0395_descriptors_canonical_success.tsv b/processed_data/0395/0395_descriptors_canonical_success.tsv new file mode 100644 index 000000000..58eec1cd5 --- /dev/null +++ b/processed_data/0395/0395_descriptors_canonical_success.tsv @@ -0,0 +1,68 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0395_00001 11.996400296777454 15.999991833906838 -0.3512988915150154 0.28126679508528935 3.873047602798776 8.421879787643 0.4 -2.143 176.12763656646533 0 5 1.2399999999999998 4 7 11 0 20 0 0 -1.4337 2.05549569 34.728300000000004 2 0 0 0 0 0 0 0 0 0 0 0 0.7368640795552651 50 211 12 22.16751454570687 1.8472928788089058 17.23363023036339 11.953673360513157 5.279956869850228 4.459431618637298 129.72 1 0.5 0 0 0 0 0 2.5557724169850897 0 2.6207413942088964 0 0 2.316230351238589 0 0 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 3 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 5.612244897959184 6.25 0.4 229.07 0 101 9.723614639131599 5.430428110326541 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index 000000000..58eec1cd5 --- /dev/null +++ b/processed_data/0395/0395_descriptors_isomeric_success.tsv @@ -0,0 +1,68 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH 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b/processed_data/0395/0395_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..ac7b51e64 --- /dev/null +++ b/processed_data/0395/0395_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 20,94,107,134,153,207,341,429,460,480,481,508,511,516,522,602,610,626,673,727,739,926,986 +0395_00002 20,93,94,107,118,141,153,207,231,250,259,261,341,441,481,490,508,626,635,642,657,659,679,698,704,727,756,778,833,915 +0395_00003 20,77,94,107,118,141,153,185,207,225,231,250,424,436,441,458,481,508,626,635,679,727,778,913,916 +0395_00004 15,54,57,79,89,122,134,139,150,153,155,161,167,169,236,245,269,277,300,347,364,434,446,452,461,475,492,506,508,524,555,566,569,582,588,600,612,626,657,662,672,692,763,766,784,787,791,805,806,836,850,900,920,930,936,952,954,964,968,974,1019 +0395_00005 20,52,88,94,107,117,118,134,141,151,153,195,207,270,369,387,395,405,479,481,508,626,635,662,727,787,863,866,968,989 +0395_00006 15,54,57,64,67,79,89,120,122,129,132,134,139,150,153,161,163,168,245,269,300,309,319,337,347,364,386,405,422,446,452,461,475,481,486,492,506,508,524,530,555,566,582,588,600,609,615,626,631,662,669,671,672,692,763,783,784,787,791,792,823,836,850,860,868,887,889,900,920,930,936,954,964,968,974,1019 +0395_00007 16,20,35,57,58,153,158,182,201,266,326,347,358,508,588,626,692,727,763,801,898,954 +0395_00008 20,94,107,113,118,141,153,207,231,250,284,341,440,481,508,530,616,626,635,727,940,976,984 +0395_00009 20,94,134,153,207,213,277,390,480,508,511,626,661,727,802,948 +0395_00010 20,57,94,107,118,141,153,199,207,244,266,292,320,347,481,508,512,588,626,635,692,727,757,763,894,954 +0395_00011 20,23,26,54,57,89,90,124,134,139,152,153,163,256,266,278,302,319,341,346,347,369,374,384,405,412,422,432,447,461,481,505,508,516,524,553,555,578,588,626,638,652,673,680,692,693,719,726,727,743,763,783,785,791,796,811,820,850,919,936,954,968,974,999,1011 +0395_00012 20,83,93,94,107,118,134,141,153,207,480,481,508,511,626,628,635,727 +0395_00013 20,57,153,203,207,259,266,292,325,326,347,390,507,508,538,559,588,626,665,692,704,705,727,757,763,771,775,821,844,898,914,936,954,969 +0395_00014 18,22,36,54,57,89,148,153,266,347,366,369,399,461,495,508,555,562,588,626,647,692,693,719,743,763,785,786,791,796,936,954,959,974 +0395_00015 20,36,54,57,89,148,153,178,192,257,263,266,347,369,451,458,461,474,492,508,516,534,545,555,588,626,647,687,692,693,702,719,727,743,762,763,785,791,796,936,948,954,960,974 +0395_00016 4,20,57,94,100,107,114,134,201,207,226,251,347,350,353,390,486,487,508,515,523,549,550,619,626,627,640,647,666,705,727,778,814,858,866,948,968 +0395_00017 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772 +0395_00018 21,22,77,118,153,346,360,361,424,436,480,481,516,527,700,778,800,869,880,913 +0395_00019 207,278,390,508,626,673,684,802,850,893,948 +0395_00020 49,64,153,188,207,231,278,325,368,508,802,850,910,943,948,992 +0395_00021 20,25,62,94,96,113,134,145,153,270,353,421,481,487,492,508,522,549,550,588,591,626,702,719,727,901,968 +0395_00022 20,58,94,115,151,153,166,294,366,508,626,719,727,948,984,994 +0395_00023 36,82,89,110,153,166,240,311,324,326,327,330,369,461,481,626,647,671,687,698,719,791,830,894,936,974,1008 +0395_00024 14,20,94,107,118,128,141,145,153,157,186,207,226,231,250,257,270,284,285,366,387,403,427,480,481,508,516,530,566,626,627,635,673,690,692,727,739,757,871,917,927,984,997,1006 +0395_00025 20,25,62,64,73,89,98,153,154,170,207,210,227,240,242,249,260,283,292,311,312,322,326,327,330,346,347,360,361,366,369,376,385,390,392,400,411,435,439,461,466,467,481,497,508,516,530,556,558,562,576,599,608,626,651,660,662,698,719,724,727,729,734,739,752,755,757,758,778,781,787,791,804,826,850,858,883,918,936,945,948,952,970,974,977,994,1007 +0395_00026 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0395_00027 15,20,89,94,348,405,477,508,509,626,660,677,727,766,825,930,932,936,964,968,1013 +0395_00028 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0395_00029 20,94,508,626,705,719,727,762,948,982 +0395_00030 14,20,94,107,118,128,141,145,153,159,207,209,231,242,250,257,270,284,285,299,327,340,366,403,440,480,481,508,516,530,541,552,563,626,627,635,673,690,692,727,739,757,871,915,917,927,984 +0395_00031 19,44,54,56,57,65,79,89,121,124,134,139,153,163,165,172,192,256,269,300,302,319,347,364,369,374,405,412,422,436,461,464,481,486,492,508,524,525,555,558,566,580,588,600,625,626,629,638,678,680,690,692,719,728,755,763,783,785,791,887,919,936,954,959,960,968,974,975 +0395_00032 20,77,88,94,153,480,481,508,626,649,727 +0395_00033 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0395_00034 20,36,89,153,178,192,257,263,311,326,327,330,369,376,451,461,474,492,508,516,534,545,626,647,671,687,719,727,762,791,936,948,960,974 +0395_00035 20,94,107,205,207,390,508,626,727,802,909,948 +0395_00036 153,207,288,326,390,474,576,626,779 +0395_00037 19,20,24,31,34,46,54,56,57,65,80,86,89,94,100,124,134,139,144,153,159,163,167,171,172,192,204,207,258,262,269,270,298,300,313,317,319,335,347,349,353,360,363,364,366,373,374,384,390,405,422,428,434,436,458,461,464,467,475,480,481,486,492,493,504,508,516,524,525,529,530,532,533,535,548,554,555,556,558,566,580,588,595,599,600,603,623,625,626,629,642,678,690,692,705,714,719,720,727,728,751,755,763,766,767,770,783,789,791,814,831,837,870,887,889,900,913,914,915,917,919,929,936,948,954,959,960,963,968,974,975,977,997 +0395_00038 26,73,89,139,153,170,291,311,313,326,327,330,346,347,369,435,448,461,499,530,562,565,570,610,626,660,679,719,720,732,770,784,787,791,796,829,861,862,883,936,937,974,978 +0395_00039 15,42,89,122,134,139,153,199,228,245,311,326,330,405,452,460,461,465,481,508,523,524,560,596,615,626,632,657,716,765,776,782,791,833,836,850,887,920,928,930,936,952,964,968,974,1019 +0395_00040 20,39,94,107,134,153,196,207,312,390,480,508,511,531,626,727,807 +0395_00041 15,42,54,57,79,89,122,134,139,150,153,161,228,245,269,300,347,364,405,446,452,460,461,465,475,481,492,508,523,524,555,560,566,588,596,600,615,626,632,657,672,692,716,763,765,776,784,787,791,833,836,850,887,900,920,928,930,936,952,954,964,968,974,1019 +0395_00042 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0395_00043 15,64,67,89,120,122,129,132,134,139,153,163,168,199,245,309,311,319,326,330,337,386,405,422,461,481,486,506,508,524,530,582,609,615,626,631,632,662,669,671,782,783,791,792,823,836,850,860,868,887,889,920,930,936,964,968,974,1019 +0395_00044 20,24,32,54,57,89,130,134,139,153,163,165,167,169,193,236,245,256,263,269,277,300,302,311,326,327,330,346,347,364,369,374,376,391,412,434,435,452,461,466,474,475,492,494,506,508,516,524,536,545,555,558,565,569,600,611,626,638,641,657,662,680,692,719,727,762,763,766,773,785,787,791,806,810,900,905,915,919,936,948,952,954,960,968,974 +0395_00045 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0395_00046 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 +0395_00047 15,16,25,26,57,75,89,104,134,139,148,153,165,214,222,245,255,270,288,292,315,326,345,351,357,399,400,492,499,508,513,566,586,603,626,633,666,676,688,703,757,758,772,780,782,783,815,816,840,911,941,942,948,949,951,968,1022 +0395_00048 20,21,94,153,337,480,508,530,626,727,752 +0395_00049 20,94,177,234,315,469,508,516,551,626,727,829,850,948 +0395_00050 20,27,54,57,89,94,134,153,169,174,212,236,245,256,266,302,331,347,369,374,419,456,461,493,506,508,513,523,524,555,572,588,626,662,680,692,693,718,719,727,743,759,763,766,771,785,791,796,806,826,869,870,919,928,936,954,968,974 +0395_00051 20,34,54,57,89,134,139,153,163,219,256,266,302,319,321,341,342,347,369,374,384,405,412,422,432,461,481,508,524,555,567,578,588,626,638,652,665,680,692,693,711,719,727,743,763,783,785,791,796,842,887,919,936,954,968,974 +0395_00052 5,10,15,19,20,24,54,56,57,65,89,127,134,139,153,165,167,172,176,192,194,200,240,256,269,300,302,319,336,340,341,347,364,369,374,395,405,422,432,436,461,464,465,467,475,479,481,486,492,508,509,524,525,531,539,555,558,566,569,580,588,599,600,603,625,626,629,633,655,657,678,680,687,690,692,707,717,719,723,727,728,733,755,763,766,783,785,791,793,798,810,842,847,887,900,905,918,919,936,954,959,960,968,974,975 +0395_00053 20,50,62,64,74,94,101,111,128,137,141,145,153,154,178,186,207,229,230,231,242,257,270,281,283,295,312,315,343,362,372,390,396,409,447,449,478,479,480,481,508,514,516,530,536,571,585,588,595,626,635,660,692,697,704,727,729,741,752,778,787,826,842,850,864,871,884,914,915,917,927,940,948,953,972,976,980,983,994,1019 +0395_00054 54,57,67,77,89,132,134,137,139,153,163,168,244,245,256,266,302,317,319,347,369,374,405,412,422,436,461,479,486,508,524,544,555,582,588,614,626,631,638,662,680,692,693,699,704,719,720,743,763,783,785,787,791,796,797,831,836,866,919,936,954,963,968,974 +0395_00055 32,54,57,79,89,130,134,139,150,153,163,165,167,169,236,245,256,269,277,300,302,347,364,369,374,391,412,434,452,461,475,492,506,508,524,555,566,569,588,600,626,638,657,662,672,680,692,719,763,766,785,791,806,810,900,919,936,952,954,968,974 +0395_00056 19,20,24,34,46,54,56,57,65,80,86,89,124,134,139,144,153,159,163,167,172,192,204,207,262,269,270,298,300,313,319,332,335,347,349,353,360,363,364,366,374,384,390,405,422,428,434,436,458,461,464,467,475,481,486,492,493,508,516,524,525,529,530,532,533,535,548,554,555,556,558,566,569,580,588,595,599,600,603,623,625,626,629,678,690,692,705,719,720,727,728,751,755,762,763,766,783,789,791,831,839,870,887,889,900,914,915,917,919,929,936,943,947,948,954,959,960,963,968,974,975,977,997 +0395_00057 15,54,57,64,67,79,89,120,121,122,129,132,134,139,153,161,163,168,245,269,300,309,319,337,347,364,386,405,422,446,452,461,481,486,492,506,508,524,525,530,555,566,582,588,600,609,615,626,631,662,669,671,692,763,783,784,787,791,792,823,836,850,860,868,887,889,920,930,936,954,964,968,974,1019 +0395_00058 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0395_00059 20,44,62,94,134,153,175,207,222,231,254,312,390,476,480,508,511,626,711,727,779,948,994 +0395_00060 20,21,62,64,94,118,153,154,177,283,302,312,361,469,481,508,551,556,599,617,626,662,727,755,778,781,826,850,935,948,994 +0395_00061 32,54,57,79,89,121,130,134,139,153,163,165,167,169,236,245,256,269,277,300,302,347,364,369,374,391,412,434,452,461,492,506,508,524,525,555,566,569,588,600,626,638,657,662,680,692,719,763,766,785,791,806,810,919,936,952,954,968,974 +0395_00062 15,20,28,50,51,62,64,89,94,101,134,153,172,174,203,207,225,228,231,234,245,254,283,302,309,312,328,337,351,390,391,417,428,437,441,454,466,480,481,508,515,519,530,540,626,683,690,717,727,729,732,752,770,776,778,811,826,836,850,854,914,932,936,948,974,976,994 +0395_00063 2,20,54,57,63,77,89,153,198,242,266,286,318,339,347,366,369,377,408,461,464,481,492,508,516,555,571,588,594,626,649,692,693,710,719,727,743,763,785,791,796,936,954,974,1006 +0395_00064 15,26,35,44,58,60,77,86,89,103,136,138,146,153,161,165,173,175,185,207,222,231,236,243,244,276,285,292,318,326,327,332,343,347,382,401,425,453,455,480,492,495,499,508,515,576,605,609,618,626,655,686,690,724,726,746,758,762,769,772,778,795,802,806,818,836,866,883,917,922,933,936,941,948,951,957,964,971,983,1009,1012 +0395_00065 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0395_00066 44,62,64,105,141,142,153,154,207,263,283,312,326,361,390,411,481,487,556,576,599,626,662,698,724,729,755,778,781,826,850,883,936,948,977,994 +0395_00067 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 diff --git a/processed_data/0395/0395_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0395/0395_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..2472a1ca5 --- /dev/null +++ b/processed_data/0395/0395_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 20,56,66,94,107,134,153,207,341,350,370,480,481,508,511,516,564,626,655,672,727,739,926,981,986 +0395_00002 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0395_00003 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0395_00004 15,57,79,89,127,128,134,139,150,153,167,169,173,236,245,269,277,283,300,314,347,364,413,434,440,442,452,461,475,492,506,508,524,555,566,569,588,600,620,626,657,662,672,687,692,763,764,766,791,806,814,824,860,900,932,936,952,954,964,968,974,980 +0395_00005 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0395_00006 15,50,57,64,67,70,79,89,120,127,128,129,131,132,134,139,150,153,163,168,173,245,269,283,300,309,314,319,337,347,364,405,413,422,442,461,475,481,486,492,506,508,524,555,566,582,588,600,615,626,631,662,669,672,687,692,763,783,791,792,814,824,853,860,868,887,889,900,932,936,954,964,968,974,980 +0395_00007 16,20,35,57,58,153,158,182,201,266,326,347,358,508,588,626,692,727,763,801,898,954 +0395_00008 20,94,105,107,113,141,153,207,210,217,231,246,341,440,481,508,530,583,626,727,776,789,940 +0395_00009 20,94,134,153,207,390,480,508,511,626,721,727,802,807,948,984 +0395_00010 20,57,77,94,107,141,153,207,266,292,347,396,438,481,508,588,626,692,715,727,757,763,776,789,861,954 +0395_00011 20,23,25,26,57,76,89,90,109,134,139,153,159,173,177,197,212,266,278,319,341,345,346,347,351,384,387,401,405,422,432,442,447,461,481,505,508,516,524,555,578,588,626,652,677,692,714,719,727,743,763,783,811,820,850,857,874,936,954,968,974,980,997,999,1011 +0395_00012 4,20,94,107,116,134,141,153,207,480,481,508,511,626,727,743,776,789 +0395_00013 20,37,57,75,114,153,207,236,266,274,278,291,292,325,326,347,383,390,507,508,538,588,620,626,665,692,701,727,757,758,763,898,954 +0395_00014 22,57,76,89,109,153,173,177,187,235,266,279,347,351,442,461,508,555,562,588,626,647,658,692,719,743,763,864,936,954,974,982,986 +0395_00015 20,35,43,57,76,89,94,109,153,173,177,187,263,266,295,347,349,351,442,461,474,492,508,516,555,588,594,626,647,687,692,719,727,743,762,763,790,822,936,948,954,960,974,982 +0395_00016 4,20,57,94,107,124,134,169,201,207,226,347,350,353,390,444,478,479,508,515,549,550,554,619,626,640,647,666,705,727,743,778,814,858,948,968,978 +0395_00017 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0395_00018 21,22,77,118,153,346,360,361,424,436,480,481,516,527,700,778,800,869,880,913 +0395_00019 43,207,278,390,426,508,626,684,802,850,948 +0395_00020 49,64,153,188,207,231,278,325,368,508,802,850,910,943,948,992 +0395_00021 20,25,62,94,96,113,134,145,153,270,353,421,481,487,492,508,522,549,550,588,591,626,702,719,727,901,968 +0395_00022 20,58,94,115,151,153,166,294,366,508,626,719,727,948,984,994 +0395_00023 72,85,89,153,166,187,311,326,351,442,461,481,553,626,647,687,719,743,746,757,830,839,893,917,936,967,974 +0395_00024 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 +0395_00025 7,20,25,60,62,64,85,87,89,91,140,153,154,200,207,210,229,249,260,282,283,292,293,300,311,312,321,322,326,347,360,361,366,376,390,400,410,411,442,461,462,467,471,481,484,493,497,508,516,530,556,558,562,599,626,662,698,719,724,727,729,734,739,743,755,757,758,760,778,781,789,826,835,850,861,870,884,888,916,918,936,945,948,958,970,974,977,994,1007 +0395_00026 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0395_00027 15,20,89,94,101,268,344,348,385,405,508,626,660,677,686,711,727,765,767,936,964,968 +0395_00028 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0395_00029 20,94,508,626,705,719,727,762,948,982 +0395_00030 14,20,94,107,118,128,141,145,153,159,207,209,231,242,250,257,270,284,285,299,327,340,366,403,440,480,481,508,516,530,541,552,563,626,627,635,673,690,692,727,739,757,871,915,917,927,984 +0395_00031 19,56,57,65,79,89,121,134,139,153,155,159,172,173,177,197,212,257,269,300,319,347,351,364,387,401,405,422,436,442,461,481,486,492,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,755,763,783,860,874,887,935,936,954,960,968,974,975,980,990,997 +0395_00032 20,77,88,94,153,480,481,508,626,649,727 +0395_00033 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0395_00034 20,35,43,85,89,94,153,187,263,311,326,349,351,442,461,474,492,508,516,626,643,647,687,719,727,743,757,762,790,822,936,948,960,974 +0395_00035 20,94,107,124,207,390,508,588,626,727,802,948 +0395_00036 153,207,288,326,390,474,576,626,779 +0395_00037 19,20,24,31,34,56,57,65,80,86,89,94,100,134,139,144,153,155,159,167,171,172,173,204,207,212,258,269,270,275,287,298,300,313,317,319,335,347,349,360,363,364,366,369,373,384,387,390,401,405,415,422,423,436,442,461,467,475,480,481,486,492,499,502,504,508,516,524,525,530,535,548,554,555,558,566,580,588,599,603,625,626,629,642,653,660,678,688,690,692,714,719,727,728,749,751,755,761,763,767,770,783,814,831,837,860,887,888,889,891,900,912,913,914,915,917,925,929,936,948,954,960,963,968,974,975,977,980,990 +0395_00038 1,26,39,60,85,87,89,94,139,153,162,174,183,270,287,311,313,326,347,351,385,402,410,442,461,464,486,496,499,523,551,557,562,626,689,719,743,753,829,868,936,974,1015 +0395_00039 15,31,35,85,89,127,134,139,153,245,283,311,314,326,346,405,413,430,442,452,460,461,465,481,508,523,524,560,596,615,626,657,716,742,765,814,824,833,887,894,924,928,936,952,964,968,974,980 +0395_00040 20,39,94,107,134,153,196,207,312,390,480,508,511,531,626,727,807 +0395_00041 15,35,57,79,89,127,128,134,139,150,153,173,245,269,283,300,314,346,347,364,405,413,442,452,460,461,465,475,481,492,508,523,524,555,560,566,588,596,600,615,626,657,672,687,692,716,763,765,791,814,824,833,860,887,894,900,924,928,932,936,952,954,964,968,974,980 +0395_00042 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0395_00043 15,31,50,64,67,70,85,89,120,127,129,131,132,134,139,153,163,168,245,283,309,311,314,319,326,337,405,413,422,430,442,461,481,486,506,508,524,582,615,626,631,662,669,742,783,791,792,814,824,853,860,868,887,889,936,964,968,974,980 +0395_00044 20,24,57,66,85,87,89,107,112,134,139,153,159,167,169,173,177,197,212,227,236,245,257,263,269,277,285,300,311,312,326,334,347,351,361,364,374,387,401,402,410,434,442,452,461,474,475,492,506,507,508,516,524,555,565,569,626,630,643,657,662,692,703,719,727,743,762,763,766,790,806,860,874,900,915,925,936,948,952,954,960,964,968,974,980,997 +0395_00045 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0395_00046 13,20,62,94,134,153,159,207,225,231,254,282,283,390,399,465,480,505,508,511,556,626,662,727,755,778,779,781,826,847,948,994 +0395_00047 15,25,26,85,89,96,109,134,139,148,153,170,222,235,245,254,255,272,280,284,297,302,315,326,335,343,348,351,357,368,399,400,472,477,499,508,513,566,586,590,595,601,603,626,685,687,703,772,780,787,801,841,929,948,967,968,969,1022 +0395_00048 20,21,94,153,337,480,508,530,626,727,752 +0395_00049 20,94,177,234,315,469,508,516,551,626,727,829,850,948 +0395_00050 20,57,76,89,94,109,134,153,159,169,173,174,177,212,236,245,266,347,351,387,419,442,456,461,506,508,513,524,555,572,585,588,609,626,652,662,692,718,719,727,743,763,766,771,806,840,854,919,928,936,954,968,974,980,988,997,1018 +0395_00051 20,34,57,76,89,109,134,139,153,159,173,177,197,212,266,319,321,341,342,347,351,384,387,401,405,422,432,442,461,481,508,524,555,578,588,626,652,678,692,719,727,740,743,746,763,783,842,874,887,936,954,968,974,975,980,987,997 +0395_00052 15,19,20,24,34,56,57,65,89,104,126,134,139,153,159,167,168,172,173,177,194,212,240,257,269,300,316,319,340,341,347,351,359,364,382,387,405,422,432,436,442,460,461,465,467,475,479,481,486,492,508,509,524,525,555,558,566,569,580,588,599,603,625,626,629,633,653,655,657,678,680,687,690,692,706,707,719,723,727,728,733,755,757,763,764,783,793,808,838,842,847,860,861,887,900,936,954,960,966,968,974,975,980,990,997 +0395_00053 2,20,50,62,64,71,94,101,128,137,141,145,153,154,175,178,186,207,230,231,242,253,257,270,281,283,295,312,372,390,396,435,447,449,478,480,481,508,514,516,521,530,536,557,571,585,588,626,635,660,692,717,727,729,741,746,750,752,775,778,782,787,826,850,864,871,872,884,915,917,927,940,948,953,960,976,980,994,1019,1021 +0395_00054 57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 +0395_00055 57,79,89,134,139,150,153,159,167,169,173,177,197,212,227,236,245,257,269,277,285,300,347,351,361,364,387,401,434,442,452,461,475,492,506,508,524,555,566,569,588,600,626,630,657,662,672,692,719,763,766,791,806,860,874,900,936,952,954,968,974,980,997 +0395_00056 19,20,24,34,56,57,65,80,86,89,134,139,144,153,155,159,167,172,173,204,207,212,269,270,275,287,298,300,313,319,332,335,347,349,360,363,364,366,369,384,387,390,401,405,415,422,423,436,442,461,467,475,481,486,492,499,502,508,516,524,525,530,535,548,554,555,558,566,569,580,588,599,603,625,626,629,653,660,678,688,690,692,719,727,728,749,751,755,761,762,763,783,831,839,860,887,888,889,891,900,912,914,915,917,925,929,936,943,947,948,954,960,963,968,974,975,977,980,990 +0395_00057 15,50,57,64,67,70,79,89,120,121,127,128,129,131,132,134,139,153,163,168,173,245,269,283,300,309,314,319,337,347,364,405,413,422,442,461,475,481,486,492,506,508,524,525,555,566,582,588,615,626,631,662,669,687,692,763,783,791,792,814,824,853,860,868,887,889,932,936,954,964,968,974,980 +0395_00058 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0395_00059 20,62,94,134,153,207,222,231,254,390,465,476,480,505,508,511,626,716,727,779,948,963,994 +0395_00060 20,21,62,64,94,118,153,154,177,283,302,312,361,469,481,508,551,556,599,617,626,662,727,755,778,781,826,850,935,948,994 +0395_00061 57,79,89,121,134,139,153,159,167,169,173,177,197,212,227,236,245,257,269,277,285,300,347,351,361,364,387,401,434,442,452,461,492,506,508,524,525,555,566,569,588,626,630,657,662,692,719,763,766,806,860,874,936,952,954,968,974,980,997 +0395_00062 15,19,20,39,50,51,62,64,89,93,94,101,124,134,153,163,172,184,203,207,222,225,231,245,254,279,283,293,302,309,312,390,391,441,453,466,480,481,504,508,515,530,540,552,583,626,688,706,717,723,727,729,752,759,773,778,826,832,845,850,853,936,938,948,969,976,994,1019 +0395_00063 20,57,63,76,77,89,109,153,173,177,216,266,347,351,366,442,461,463,481,486,492,508,516,555,563,571,588,626,649,654,692,719,727,728,743,763,772,845,868,931,936,954,974,1005 +0395_00064 15,21,26,35,39,60,86,89,103,114,120,130,136,138,146,153,165,175,185,207,222,231,236,239,243,285,290,292,316,318,326,327,328,343,347,391,401,425,437,447,455,492,495,499,508,515,525,542,544,576,594,602,609,618,626,637,668,684,690,724,726,742,745,758,772,778,795,802,806,818,845,866,883,917,924,936,948,951,964,971,1009,1012 +0395_00065 15,31,85,89,127,134,139,153,185,220,245,283,301,303,311,314,326,340,379,413,430,442,461,477,506,508,524,533,569,575,582,626,638,649,662,671,675,742,806,814,824,874,918,936,948,964,968,974,980 +0395_00066 48,62,64,141,151,153,154,207,283,287,312,326,361,390,399,411,481,556,558,576,599,626,650,662,673,674,724,729,755,778,781,826,850,948,955,986,994 +0395_00067 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,662,700,727,733,748,755,778,781,826,827,833,918,919,948,994 diff --git a/processed_data/0395/0395_fingerprints_maccs_canonical_success.tsv b/processed_data/0395/0395_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..bb514c49c --- /dev/null +++ b/processed_data/0395/0395_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 37,43,53,54,77,84,90,91,95,97,104,106,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0395_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0395_00003 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0395_00004 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00005 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0395_00006 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00007 29,43,48,69,72,82,89,90,102,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0395_00008 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0395_00009 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0395_00010 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0395_00011 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0395_00012 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0395_00013 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0395_00014 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0395_00015 29,43,48,53,54,57,69,72,89,90,91,92,95,97,98,102,106,109,110,112,117,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00016 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0395_00017 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0395_00018 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0395_00019 72,139,152,154,157,159,160,164 +0395_00020 74,115,116,132,147,149,154,155,160,164 +0395_00021 72,90,123,132,136,139,146,152,154,155,157,159,162,163,164,165 +0395_00022 34,50,76,90,99,114,123,139,154,155,157,159,160,164 +0395_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0395_00024 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0395_00025 53,54,57,72,82,89,90,91,92,95,98,99,104,108,109,110,111,114,115,116,117,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00026 65,80,84,92,97,98,110,117,121,137,142,151,154,156,158,161,162,163,164,165 +0395_00027 78,83,90,95,96,97,104,111,119,121,123,127,131,132,137,139,143,146,152,154,156,157,158,159,161,164,165 +0395_00028 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0395_00029 72,123,136,139,146,152,154,157,159,160,164 +0395_00030 14,54,67,79,82,84,88,90,91,92,95,100,104,110,111,117,118,123,124,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0395_00031 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0395_00032 54,82,84,95,100,104,123,131,132,139,151,153,154,155,157,158,159,161,164 +0395_00033 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0395_00034 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00035 54,72,123,131,139,146,152,154,157,159,160,164 +0395_00036 53,54,72,82,89,90,104,109,131,132,138,139,146,152,153,155,157,159,164 +0395_00037 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,123,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00038 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0395_00039 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00040 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0395_00041 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00042 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0395_00043 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00044 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00045 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0395_00046 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0395_00047 26,50,66,76,82,90,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,150,152,153,154,155,157,159,160,163,164,165 +0395_00048 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0395_00049 99,123,139,154,157,159,160,164 +0395_00050 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00051 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0395_00052 29,38,43,45,48,50,53,54,57,62,65,69,72,75,76,77,79,80,83,84,85,89,90,91,92,95,96,97,98,99,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00053 54,79,81,82,84,88,90,91,92,95,99,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,152,153,154,155,156,157,158,159,160,161,164 +0395_00054 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00055 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00056 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,108,109,110,111,112,115,116,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00057 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00058 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0395_00059 53,89,90,91,104,108,114,115,123,129,131,132,139,146,147,152,154,155,157,159,160,164 +0395_00060 91,99,108,114,115,116,118,123,128,129,139,147,154,155,157,159,160,164 +0395_00061 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00062 89,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0395_00063 29,43,48,53,54,57,69,72,79,82,83,84,89,90,91,92,95,96,97,100,102,104,106,109,110,111,112,117,124,126,127,130,131,132,133,136,137,138,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,164,165 +0395_00064 39,40,48,55,58,60,61,66,67,69,73,82,88,89,90,91,96,102,104,105,106,108,109,112,115,116,118,124,126,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,152,153,155,157,159,160,163,164,165 +0395_00065 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00066 53,54,82,84,89,90,91,95,99,104,108,109,111,114,115,116,118,128,129,131,139,147,151,152,153,155,156,157,158,159,160,161,164 +0395_00067 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0395/0395_fingerprints_maccs_isomeric_success.tsv b/processed_data/0395/0395_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..bb514c49c --- /dev/null +++ b/processed_data/0395/0395_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 37,43,53,54,77,84,90,91,95,97,104,106,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0395_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0395_00003 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0395_00004 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00005 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0395_00006 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00007 29,43,48,69,72,82,89,90,102,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0395_00008 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0395_00009 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0395_00010 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0395_00011 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0395_00012 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0395_00013 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0395_00014 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0395_00015 29,43,48,53,54,57,69,72,89,90,91,92,95,97,98,102,106,109,110,112,117,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00016 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0395_00017 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0395_00018 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0395_00019 72,139,152,154,157,159,160,164 +0395_00020 74,115,116,132,147,149,154,155,160,164 +0395_00021 72,90,123,132,136,139,146,152,154,155,157,159,162,163,164,165 +0395_00022 34,50,76,90,99,114,123,139,154,155,157,159,160,164 +0395_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0395_00024 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0395_00025 53,54,57,72,82,89,90,91,92,95,98,99,104,108,109,110,111,114,115,116,117,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00026 65,80,84,92,97,98,110,117,121,137,142,151,154,156,158,161,162,163,164,165 +0395_00027 78,83,90,95,96,97,104,111,119,121,123,127,131,132,137,139,143,146,152,154,156,157,158,159,161,164,165 +0395_00028 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0395_00029 72,123,136,139,146,152,154,157,159,160,164 +0395_00030 14,54,67,79,82,84,88,90,91,92,95,100,104,110,111,117,118,123,124,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0395_00031 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0395_00032 54,82,84,95,100,104,123,131,132,139,151,153,154,155,157,158,159,161,164 +0395_00033 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0395_00034 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0395_00035 54,72,123,131,139,146,152,154,157,159,160,164 +0395_00036 53,54,72,82,89,90,104,109,131,132,138,139,146,152,153,155,157,159,164 +0395_00037 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,123,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00038 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0395_00039 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00040 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0395_00041 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00042 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0395_00043 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00044 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00045 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0395_00046 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0395_00047 26,50,66,76,82,90,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,150,152,153,154,155,157,159,160,163,164,165 +0395_00048 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0395_00049 99,123,139,154,157,159,160,164 +0395_00050 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00051 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0395_00052 29,38,43,45,48,50,53,54,57,62,65,69,72,75,76,77,79,80,83,84,85,89,90,91,92,95,96,97,98,99,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00053 54,79,81,82,84,88,90,91,92,95,99,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,152,153,154,155,156,157,158,159,160,161,164 +0395_00054 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00055 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00056 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,108,109,110,111,112,115,116,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00057 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00058 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0395_00059 53,89,90,91,104,108,114,115,123,129,131,132,139,146,147,152,154,155,157,159,160,164 +0395_00060 91,99,108,114,115,116,118,123,128,129,139,147,154,155,157,159,160,164 +0395_00061 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0395_00062 89,90,91,96,99,104,108,114,115,116,118,123,127,128,129,131,132,136,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0395_00063 29,43,48,53,54,57,69,72,79,82,83,84,89,90,91,92,95,96,97,100,102,104,106,109,110,111,112,117,124,126,127,130,131,132,133,136,137,138,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,164,165 +0395_00064 39,40,48,55,58,60,61,66,67,69,73,82,88,89,90,91,96,102,104,105,106,108,109,112,115,116,118,124,126,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,152,153,155,157,159,160,163,164,165 +0395_00065 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0395_00066 53,54,82,84,89,90,91,95,99,104,108,109,111,114,115,116,118,128,129,131,139,147,151,152,153,155,156,157,158,159,160,161,164 +0395_00067 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0395/0395_fingerprints_pubchem_canonical_success.tsv b/processed_data/0395/0395_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..8d6f8a123 --- /dev/null +++ b/processed_data/0395/0395_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,581,603,614,618,638,639,644,646,647,655,660,682,687,688 +0395_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0395_00003 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0395_00004 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0395_00005 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0395_00006 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00007 10,19,20,21,31,284,285,287,309,315,333,342,345,347,353,367,407,408,412,421,426,433,444,457,463,538,572,618,640 +0395_00008 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0395_00009 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0395_00010 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0395_00011 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,393,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,449,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,529,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,646,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00012 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0395_00013 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0395_00014 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0395_00015 10,11,12,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,408,412,421,426,440,444,452,457,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0395_00016 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0395_00017 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0395_00018 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0395_00019 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,572 +0395_00020 10,11,19,284,285,287,333,334,336,345,347,353,367,375,421,437,444,449,536,580,583,685,709,710 +0395_00021 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0395_00022 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,668,673 +0395_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0395_00024 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0395_00025 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,435,440,442,444,447,452,491,517,525,529,536,541,557,564,567,568,572,574,580,583,593,600,611,614,615,616,618,620,638,640,641,644,646,647,657,660,661,662,663,664,668,679,680,681,682,684,685,689,690,691,693,697,701,702,705 +0395_00026 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0395_00027 10,11,15,19,20,144,149,150,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,407,419,421,436,441,443,444,448,453,454,462,536,537,539,540,567,572,580,583,593,618,638,639,681,682,685,687 +0395_00028 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0395_00029 10,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,463,536,538,618 +0395_00030 10,11,12,13,15,16,17,19,20,21,22,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0395_00031 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0395_00032 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,381,394,407,421,441,444,453,529,537,567 +0395_00033 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0395_00034 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0395_00035 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0395_00036 10,19,20,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,640,664 +0395_00037 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,338,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,432,438,439,440,441,442,443,444,448,450,451,452,453,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,582,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,643,644,646,647,655,657,658,659,660,663,664,675,681,682,683,684,685,687,691,692,694,695,703,709,711,712 +0395_00038 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0395_00039 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0395_00040 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0395_00041 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0395_00042 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0395_00043 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00044 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0395_00045 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0395_00046 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 +0395_00047 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,777,798,819,861 +0395_00048 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0395_00049 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0395_00050 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,371,372,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,435,438,440,441,442,443,444,447,450,451,452,453,454,457,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,522,524,525,528,531,536,537,539,540,541,546,547,549,550,554,556,557,561,567,568,571,572,573,574,575,580,581,583,586,593,594,597,598,601,602,603,613,614,615,618,620,622,624,625,629,634,637,638,639,640,642,644,646,647,648,651,655,656,657,658,660,663,664,666,668,672,673,674,675,681,682,683,684,686,687,688,691,692,703 +0395_00051 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00052 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00053 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,381,391,393,394,407,413,417,421,435,440,441,442,444,447,452,453,491,508,517,525,529,536,537,541,557,565,567,570,572,580,583,587,600,603,612,614,618,638,641,642,644,646,647,657,659,660,661,665,679,680,681,685,689,690,691,693,694,699,702,705,706 +0395_00054 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00055 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00056 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,675,681,682,683,684,687,691,692,703,709,712 +0395_00057 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00058 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0395_00059 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,690,693 +0395_00060 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,554,557,574,583,600,620,641,661,668,672,673,679,680,689,697 +0395_00061 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00062 10,11,12,13,19,20,21,144,145,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,572,574,580,582,583,600,618,620,638,641,642,643,661,668,679,680,681,685,687,689,690,693,697,705,709,710,711,713,841,861,862 +0395_00063 10,11,15,16,19,20,21,22,31,144,147,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,391,393,394,406,407,408,412,421,426,440,444,452,457,529,537,541,560,567,568,570,572,583,593,612,613,614,615,618,638,639,640,644,646,647,657,660,663,664,681,682,683,684,691,692,703 +0395_00064 10,11,12,13,19,20,21,22,34,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,409,459,460,572,583,618,638,640,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0395_00065 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0395_00066 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,417,435,442,447,491,517,525,529,557,567,572,574,583,600,618,620,638,640,641,644,661,668,679,680,689,697 +0395_00067 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 diff --git a/processed_data/0395/0395_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0395/0395_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..8d6f8a123 --- /dev/null +++ b/processed_data/0395/0395_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0395_00001 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,581,603,614,618,638,639,644,646,647,655,660,682,687,688 +0395_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0395_00003 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0395_00004 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0395_00005 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0395_00006 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00007 10,19,20,21,31,284,285,287,309,315,333,342,345,347,353,367,407,408,412,421,426,433,444,457,463,538,572,618,640 +0395_00008 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0395_00009 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0395_00010 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0395_00011 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,393,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,449,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,529,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,646,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00012 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0395_00013 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0395_00014 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0395_00015 10,11,12,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,408,412,421,426,440,444,452,457,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0395_00016 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0395_00017 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0395_00018 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0395_00019 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,572 +0395_00020 10,11,19,284,285,287,333,334,336,345,347,353,367,375,421,437,444,449,536,580,583,685,709,710 +0395_00021 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0395_00022 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,668,673 +0395_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0395_00024 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0395_00025 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,435,440,442,444,447,452,491,517,525,529,536,541,557,564,567,568,572,574,580,583,593,600,611,614,615,616,618,620,638,640,641,644,646,647,657,660,661,662,663,664,668,679,680,681,682,684,685,689,690,691,693,697,701,702,705 +0395_00026 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0395_00027 10,11,15,19,20,144,149,150,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,407,419,421,436,441,443,444,448,453,454,462,536,537,539,540,567,572,580,583,593,618,638,639,681,682,685,687 +0395_00028 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0395_00029 10,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,463,536,538,618 +0395_00030 10,11,12,13,15,16,17,19,20,21,22,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0395_00031 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0395_00032 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,381,394,407,421,441,444,453,529,537,567 +0395_00033 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0395_00034 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0395_00035 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0395_00036 10,19,20,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,640,664 +0395_00037 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,338,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,432,438,439,440,441,442,443,444,448,450,451,452,453,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,582,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,643,644,646,647,655,657,658,659,660,663,664,675,681,682,683,684,685,687,691,692,694,695,703,709,711,712 +0395_00038 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0395_00039 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0395_00040 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0395_00041 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0395_00042 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0395_00043 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00044 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0395_00045 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0395_00046 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 +0395_00047 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,777,798,819,861 +0395_00048 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0395_00049 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0395_00050 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,371,372,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,435,438,440,441,442,443,444,447,450,451,452,453,454,457,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,522,524,525,528,531,536,537,539,540,541,546,547,549,550,554,556,557,561,567,568,571,572,573,574,575,580,581,583,586,593,594,597,598,601,602,603,613,614,615,618,620,622,624,625,629,634,637,638,639,640,642,644,646,647,648,651,655,656,657,658,660,663,664,666,668,672,673,674,675,681,682,683,684,686,687,688,691,692,703 +0395_00051 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00052 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00053 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,381,391,393,394,407,413,417,421,435,440,441,442,444,447,452,453,491,508,517,525,529,536,537,541,557,565,567,570,572,580,583,587,600,603,612,614,618,638,641,642,644,646,647,657,659,660,661,665,679,680,681,685,689,690,691,693,694,699,702,705,706 +0395_00054 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0395_00055 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00056 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,675,681,682,683,684,687,691,692,703,709,712 +0395_00057 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0395_00058 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0395_00059 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,690,693 +0395_00060 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,554,557,574,583,600,620,641,661,668,672,673,679,680,689,697 +0395_00061 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0395_00062 10,11,12,13,19,20,21,144,145,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,572,574,580,582,583,600,618,620,638,641,642,643,661,668,679,680,681,685,687,689,690,693,697,705,709,710,711,713,841,861,862 +0395_00063 10,11,15,16,19,20,21,22,31,144,147,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,366,367,391,393,394,406,407,408,412,421,426,440,444,452,457,529,537,541,560,567,568,570,572,583,593,612,613,614,615,618,638,639,640,644,646,647,657,660,663,664,681,682,683,684,691,692,703 +0395_00064 10,11,12,13,19,20,21,22,34,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,409,459,460,572,583,618,638,640,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0395_00065 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0395_00066 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,417,435,442,447,491,517,525,529,557,567,572,574,583,600,618,620,638,640,641,644,661,668,679,680,689,697 +0395_00067 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 diff --git a/processed_data/0395/0395_gradient.tsv b/processed_data/0395/0395_gradient.tsv new file mode 100644 index 000000000..e9541d368 --- /dev/null +++ b/processed_data/0395/0395_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 98 2 +15 0.2 5 95 +16 0.2 5 95 diff --git a/processed_data/0395/0395_info.tsv b/processed_data/0395/0395_info.tsv new file mode 100644 index 000000000..8512ea0cc --- /dev/null +++ b/processed_data/0395/0395_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0395 Dr. Xiaozhuo Chen ST001610 Submitted from Fangyuan Sun. diff --git a/processed_data/0395/0395_metadata.tsv b/processed_data/0395/0395_metadata.tsv new file mode 100644 index 000000000..766599c7d --- /dev/null +++ b/processed_data/0395/0395_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0395 Agilent InfinityLab Poroshell 120 SB-C18 L1 100 2.1 2.7 40 0.2 1.1025 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98 2 0 0 5 95 0 0 diff --git a/processed_data/0395/0395_report_canonical.pdf b/processed_data/0395/0395_report_canonical.pdf new file mode 100644 index 000000000..488e7bd06 Binary files /dev/null and b/processed_data/0395/0395_report_canonical.pdf differ diff --git a/processed_data/0395/0395_report_isomeric.pdf b/processed_data/0395/0395_report_isomeric.pdf new file mode 100644 index 000000000..9aaee402b Binary files /dev/null and b/processed_data/0395/0395_report_isomeric.pdf differ diff --git a/processed_data/0395/0395_rtdata_canonical_success.tsv b/processed_data/0395/0395_rtdata_canonical_success.tsv new file mode 100644 index 000000000..6fdeeb3ed --- /dev/null +++ b/processed_data/0395/0395_rtdata_canonical_success.tsv @@ -0,0 +1,68 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0395_00001 C5H8N2O5 1.092416667 C(C(C(=O)O)NC(=O)N)C(=O)O InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12) HLKXYZVTANABHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00002 C6H14N4O2 1.092416667 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00003 C6H14N2O2 1.135783333 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00004 C9H15N2O14P3 1.171483333 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17) AHCYMLUZIRLXAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0395_00005 C6H9N3O2 1.2409 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00006 C10H16N5O13P3 1.2409 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17) HAAZLUGHYHWQIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0395_00007 C3H7O6P 1.271183333 C(C(=O)COP(=O)(O)O)O InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) GNGACRATGGDKBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0395_00008 C5H10N2O3 1.271183333 C(CC(=O)N)C(C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00009 C4H8O3 1.271183333 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0395_00010 C3H8NO6P 1.305366667 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00011 C10H15N4O9P 1.339 C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21) ABCOOORLYAOBOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0395_00012 C4H7NO4 1.339 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00013 C6H13O9P 1.339 C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14) GSXOAOHZAIYLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00014 C6H13O9P 1.3748 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00015 C8H16NO9P 1.3748 CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16) BRGMHAYQAZFZDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0395_00016 C9H10O5 1.3748 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0395_00017 C5H9NO2 1.407383333 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00018 C7H19N3 1.4458 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0395_00019 C3H6O2 1.4843 CC(C=O)O InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3 BSABBBMNWQWLLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Alpha-hydroxyaldehydes (CHEMONTID:0003675) +0395_00020 C6H12O 1.620333333 CC(C)CCC=O InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 JGEGJYXHCFUMJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Alpha-hydrogen aldehydes (CHEMONTID:0002434) +0395_00021 C9H8O3 1.620333333 C1=CC=C(C=C1)CC(=O)C(=O)O InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) BTNMPGBKDVTSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpyruvic acid derivatives (CHEMONTID:0001276) NA (NA) NA (NA) +0395_00022 C5H8O2 1.620333333 CCC(=C)C(=O)O InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7) WROUWQQRXUBECT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0395_00023 C6H13NO5 1.620333333 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00024 C10H17N3O6S 2.099616667 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0395_00025 C52H99NO13 2.3587 CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57) QYWVASPEUXEHSY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Sphingolipids (CHEMONTID:0000257) Glycosphingolipids (CHEMONTID:0003258) NA (NA) NA (NA) +0395_00026 C6H6N2O 2.4617 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0395_00027 C5H7NO3 2.5066 C1C(C=NC1C(=O)O)O InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9) WFOFKRKDDKGRIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00028 C5H4N4O 2.5066 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0395_00029 C3H4O3 2.5066 CC(=O)C(=O)O InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) LCTONWCANYUPML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0395_00030 C20H32N6O12S2 2.865133333 C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38) YPZRWBKMTBYPTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0395_00031 C10H15N5O10P2 2.865133333 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20) XTWYTFMLZFPYCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0395_00032 C2H5NO2 2.865133333 C(C(=O)O)N InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DHMQDGOQFOQNFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00033 C6H13NO2 2.94045 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00034 C8H15NO6 2.94045 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0395_00035 C3H6O3 3.366883333 CC(C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0395_00036 C3H8O3 3.75675 C(C(CO)O)O InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 PEDCQBHIVMGVHV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen 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InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0395_00039 C9H13N3O4 4.10195 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0395_00040 C4H6O5 4.445383333 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and 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compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0395_00043 C10H13N5O4 5.185816667 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0395_00044 C17H27N3O17P2 5.465783333 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28) LFTYTUAZOPRMMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0395_00045 C6H13NO2 6.012716667 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00046 C12H24O3 6.115133333 CCCCCCCCCC(CC(=O)O)O InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) MUCMKTPAZLSKTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0395_00047 C19H26O3 6.368833333 CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CO InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3 XGUHPTGEXRHMQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0395_00048 C4H6O4 6.530083333 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0395_00049 C4H6O2 8.127366667 CC=CC(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) LDHQCZJRKDOVOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) 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(CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0395_00052 C21H30N7O17P3 8.580266667 C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35) ACFIXJIJDZMPPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0395_00053 C25H40N2O6S 8.907783333 CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32) YEESKJGWJFYOOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Leukotrienes (CHEMONTID:0000515) NA (NA) +0395_00054 C10H13N4O8P 9.392733333 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0395_00055 C9H15N2O15P3 10.06956667 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18) PGAVKCOVUIYSFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0395_00056 C23H38N7O17P3S 11.71331667 CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38) ZSLZBFCDCINBPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0395_00057 C10H15N5O10P2 11.74543333 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17) CIKGWCTVFSRMJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0395_00058 C6H12O6 11.97116667 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00059 C6H12O3 12.4397 CCCC(CC(=O)O)O InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9) HPMGFDVTYHWBAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0395_00060 C12H22O2 12.69 CCCCCCCCCC=CC(=O)O InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14) PAWGRNGPMLVJQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0395_00061 C9H14N2O12P2 12.9665 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18) XCCTYIAWTASOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0395_00062 C20H32O5 13.26108333 CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25) XEYBRNLFEZDVAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0395_00063 C7H15N2O8P 13.46323333 C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)(O)O InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15) OBQMLSFOUZUIOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Glycinamide ribonucleotides (CHEMONTID:0001014) NA (NA) NA (NA) NA (NA) +0395_00064 C27H48O8S 14.67288333 CC(CCCC(CO)COS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34) KAOLEMQCYWHOJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Tetrahydroxy bile acids, alcohols and derivatives (CHEMONTID:0001110) +0395_00065 C10H14N2O5 14.72423333 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0395_00066 C18H37NO2 15.06281667 CCCCCCCCCCCCCC=CC(C(CO)N)O InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3 WWUZIQQURGPMPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0395_00067 C23H45NO4 15.62601667 CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3 XOMRRQXKHMYMOC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) diff --git a/processed_data/0395/0395_rtdata_isomeric_success.tsv b/processed_data/0395/0395_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..845be0236 --- /dev/null +++ b/processed_data/0395/0395_rtdata_isomeric_success.tsv @@ -0,0 +1,68 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0395_00001 C5H8N2O5 1.092416667 C([C@@H](C(=O)O)NC(=O)N)C(=O)O InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 HLKXYZVTANABHZ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00002 C6H14N4O2 1.092416667 C(C[C@@H](C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00003 C6H14N2O2 1.135783333 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00004 C9H15N2O14P3 1.171483333 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 AHCYMLUZIRLXAA-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0395_00005 C6H9N3O2 1.2409 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00006 C10H16N5O13P3 1.2409 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 HAAZLUGHYHWQIW-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0395_00007 C3H7O6P 1.271183333 C(C(=O)COP(=O)(O)O)O InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8) GNGACRATGGDKBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0395_00008 C5H10N2O3 1.271183333 C(CC(=O)N)[C@@H](C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00009 C4H8O3 1.271183333 C[C@H](CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 WHBMMWSBFZVSSR-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0395_00010 C3H8NO6P 1.305366667 C([C@@H](C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 BZQFBWGGLXLEPQ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00011 C10H15N4O9P 1.339 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 ABCOOORLYAOBOZ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0395_00012 C4H7NO4 1.339 C([C@@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CKLJMWTZIZZHCS-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00013 C6H13O9P 1.339 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 GSXOAOHZAIYLCY-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00014 C6H13O9P 1.3748 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1 NBSCHQHZLSJFNQ-GASJEMHNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00015 C8H16NO9P 1.3748 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 BRGMHAYQAZFZDJ-RTRLPJTCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0395_00016 C9H10O5 1.3748 COC1=C(C=CC(=C1)[C@@H](C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1 CGQCWMIAEPEHNQ-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0395_00017 C5H9NO2 1.407383333 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0395_00018 C7H19N3 1.4458 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary 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compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0395_00049 C4H6O2 8.127366667 C/C=C/C(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ LDHQCZJRKDOVOX-NSCUHMNNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0395_00050 C10H13N2O11P 8.31735 C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 KYOBSHFOBAOFBF-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0395_00051 C9H15N4O8P 8.31735 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 NOTGFIUVDGNKRI-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0395_00052 C21H30N7O17P3 8.580266667 C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 ACFIXJIJDZMPPO-NNYOXOHSSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0395_00053 C25H40N2O6S 8.907783333 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1 YEESKJGWJFYOOK-LDDGIIIKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) 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nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0395_00056 C23H38N7O17P3S 11.71331667 CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 ZSLZBFCDCINBPY-ZSJPKINUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0395_00057 C10H15N5O10P2 11.74543333 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 CIKGWCTVFSRMJU-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0395_00058 C6H12O6 11.97116667 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-GASJEMHNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0395_00059 C6H12O3 12.4397 CCC[C@H](CC(=O)O)O InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 HPMGFDVTYHWBAG-RXMQYKEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0395_00060 C12H22O2 12.69 CCCCCCCCC/C=C/C(=O)O InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+ PAWGRNGPMLVJQH-ZHACJKMWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0395_00061 C9H14N2O12P2 12.9665 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 XCCTYIAWTASOJW-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0395_00062 C20H32O5 13.26108333 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 XEYBRNLFEZDVAW-ARSRFYASSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Eicosanoids (CHEMONTID:0000513) Prostaglandins and related compounds (CHEMONTID:0000514) NA (NA) +0395_00063 C7H15N2O8P 13.46323333 C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)(O)O InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1 OBQMLSFOUZUIOB-SHUUEZRQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Glycinamide ribonucleotides (CHEMONTID:0001014) NA (NA) NA (NA) NA (NA) +0395_00064 C27H48O8S 14.67288333 CC(CCCC(CO)COS(=O)(=O)O)C1CCC2[C@@]1([C@@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23-,24-,25?,26+,27-/m1/s1 KAOLEMQCYWHOJQ-UQACNIHJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Tetrahydroxy bile acids, alcohols and derivatives (CHEMONTID:0001110) +0395_00065 C10H14N2O5 14.72423333 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0395_00066 C18H37NO2 15.06281667 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 WWUZIQQURGPMPG-KRWOKUGFSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0395_00067 C23H45NO4 15.62601667 CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1 XOMRRQXKHMYMOC-OAQYLSRUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) diff --git a/processed_data/0396/0396_descriptors_canonical_success.tsv b/processed_data/0396/0396_descriptors_canonical_success.tsv new file mode 100644 index 000000000..6d52543c2 --- /dev/null +++ b/processed_data/0396/0396_descriptors_canonical_success.tsv @@ -0,0 +1,125 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0396_00001 11.993450831163265 15.998936120211534 -0.39327360072990925 0.2719422272488231 4.31500703831584 9.633169705257796 0.5555555555555556 -1.8030000000000006 258.23163109064404 0 3 1.4600000000000002 9 10 19 0 32 0 0 -3.6494999999999997 13.318850249999999 58.39800000000001 0 2 1 2 1 0 0 2 0 0 0 0 0.5991171834297424 94 582 29 35.60610185770699 1.9781167698726105 24.491024579685075 13.026116396206996 11.464908183478059 5.247927513443585 154.63000000000002 0.8 0.4444444444444444 0 0 0 0 0.19999999999999996 4.698051033117634 0 8.25020561791714 0 0 1.0749484040327275 1.121195220338286 0 0.25 0.6666666666666667 0.7071067811865476 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 1 0 0 1 4 0 0 1 2 0 0 0 2 0 0 0 0 0 0 0 1 0 0 1 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.409972299168976 5.551020408163265 2.52465483234714 0.5555555555555556 783.09 0.5555555555555556 256 13.447229278263197 8.468432912787327 7.794311512043488 6.9378270363031636 5.473889221581761 3.4682078766976656 2.4637671480455188 1.575786807833287 9.301123223941445 5.215563035929054 3.978794396525465 2.8567338074086313 1.8730171556544883 1.0148146376161395 0.5614088623295829 0.28373682488667296 4.111523843334231 6.408329447869492 7.8296499142485185 1.2294498860879484 1.535367425710266 1.5255191217499315 1.4855985596534889 0 0.6346767354150744 0 0.5831282861978871 0 0.1294756030144509 0 0 0 0.17479246499677625 0.46538747295793303 0.7519510612758129 0 0 0.07422843462213273 0.1407001669630716 0.16339093721606357 0 0 2 1 0 2 3 0 0 965.0478031675799 1151.4761866342928 1670.6302202818636 1524.1251922264403 1263.3505458769532 23.312266382810648 22.1558253950585 33.81280318996193 37.578859244221476 32.25110919607672 0.7951768282888629 -0.29750157305118374 -0.22029480761729334 0.08850955568355579 0.07062438369873085 5 9 20.158898 33.58510199999999 +0396_00002 11.993426984725472 15.995920702416853 -0.38630229964791485 0.09470671560653914 4.773278878286293 9.167763186067532 0.4 0.05600000000000001 181.23198333744162 0 3 2.23 7 9 13 1 28 0 0 0.20499999999999857 0.04202499999999942 55.4308 0 1 1 1 1 0 0 0 1 0 0 0 0.28982341773308046 60 256 17 25.21057097716702 1.9392746905513092 7.711117797962908 5.027939165748252 2.6831786322146556 4.700439718141093 52.49 1 0.5 0.33333333333333337 1.6164124037412986 2.693943693184637 0 3.3019272488946267 7.883079777506848 0 2.701599969404812 0 0 0.16666666666666669 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 4 2 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.076923076923077 5.024221453287197 3 0.4 628.03 0.46153846153846156 153 9.844934982691242 6.147065707741408 5.264600840340752 4.345602562357017 2.648047142101515 1.8887792574020361 1.1068643907232876 0.5541495274826757 7.858528806137672 4.291206764255644 3.1137198023103534 2.163558021597598 1.1180433198275546 0.6697689341829626 0.29681952702182784 0.14602100111749278 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6.995233623009355 13.50690228687811 24.49073049114418 3.8334072828651635 6.8275551389214275 10.912972184116345 2.374392605806585 0.16098763771484473 1.2456763770475152 0.30246242587607225 1.3979001145489807 0.09667458276674673 0.5946864622254417 0.13570259067236623 0 0 0.06804138174397717 0.3728939232630928 1.2435332054426496 0 0 0.029462782549439483 0.19446700296228384 0.5577596147734986 0 0 0 5 2 1 6 1 1 1942.2068540402538 2542.4390168942273 4314.718803492431 4993.511108326967 4096.607342063479 25.457856443440264 28.159005685204153 48.15155754799953 62.250233147545735 57.084760379516304 0.5138532876592276 -0.15502131120007648 -0.18664888202152605 0.19834205253730827 -0.15446510495572677 2 5 25.624933 46.89706699999999 +0396_00008 11.993427016118318 15.994917662116407 -0.36047834545332436 0.07203778693354958 4.758576603091043 8.93250928236233 0.4 0.8200000000000001 165.23257840987225 0 3 2.34 7 9 12 1 27 0 0 1.0368999999999986 1.075161609999997 54.22290000000001 0 1 1 1 1 0 0 0 1 0 0 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WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS 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0 0 0 0 0 0 0 0 0 0 0 0 17.122473246135552 5.510416666666667 2.1797710639894916 0.7272727272727273 2649.03 0.84 505 17.44938298937633 11.879394175971491 12.159600460226617 11.317847935472239 9.840610506631736 8.362802074740435 6.255636819672044 4.747862548233053 15.345700736021728 10.031022511722494 9.596090655026295 8.847540479771206 7.293387268160364 5.663117683085202 4.2141052408751225 3.0616934810784335 7.873084685983218 13.75019902175658 21.59617862121279 6.005221059159404 10.034749305860984 14.495334329033426 2.965316123437368 0.30830155046204216 1.3587233213367877 0.45141329125429763 2.198406204069426 0.2551551815399144 1.0433864673861155 0.31369113331930826 0 0 0.174230856264669 0.647341061775787 1.4092026546181406 0 0 0.12319981995668611 0.4397682408270498 0.9385285316414144 0 0 1 4 1 2 8 4 2 2327.910919704801 2966.4038482546152 4853.234947529649 5193.5390493650175 4218.2184380693125 27.323407106622838 30.328367908530254 51.09911287546889 56.65673581706051 47.99255186279538 0.3849442756218063 -0.17783574801325966 0.02210444329907653 -0.01627199069847406 -0.02133072355689762 0 3 34.44179599999999 59.79620399999997 +0396_00121 11.850000000000003 15.994921697554135 -0.34422434140747726 0.11336766089313183 5.548135559082032 12.865293114854735 0.23076923076923078 6.3420000000000005 371.5155233120412 1 8 4.1000000000000005 21 15 30 1 57 0 0 4.438300000000001 19.698506890000008 131.85119999999998 0 3 3 3 3 0 0 0 3 0 0 0 0.03359149535367293 138 2141 41 56.94073341886892 2.0335976221024614 6.028716000061071 3.04940571064717 2.9793102894139003 5.906890595608519 12.47 1 0.5 0.454280148208035 6.997162590483156 2.8165895667686396 0 28.786204719346763 29.4478059469952 0 6.534047077809358 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 3 0 0 14 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22.68 12 6.76 0.23076923076923078 2725.02 0.7142857142857143 644 19.769373945685235 13.685871848001627 11.551189470334768 9.244871454899767 7.7618065690492015 6.393195226352906 4.037737479292645 3.0290922465693138 17.059685998178228 9.90684881871516 7.115272621558706 4.790265908287308 3.3484201122665618 2.305562616436725 1.2351033667688824 0.7673293825463193 2.9704257962466842 5.041369077874394 7.26057334839947 1.4048412823754794 1.9660741983465215 2.391800042850512 1.3595663102948599 0 0.22451341401773972 0 0.7851574954091337 0 0.09322653612818575 0 0 0 0 0.2874574785652649 0.22488921772910572 0 0 0 0.09192780768773619 0.057304134134530955 0 0 0 15 5 3 1 0 0 2078.653573126782 2396.7225513728827 3232.0030171794083 3515.618530965037 3506.7974133688494 29.134449336817426 31.162729753806467 40.16245786457814 42.21764555133174 44.16245786457814 0.24604082634450267 -0.14000252591956092 -0.051799041120556145 0.13430026644751705 -0.07980242373683076 0 2 35.59900299999999 66.99899699999997 +0396_00122 11.996146238693724 15.998265036922797 -0.41353332049288505 0.156158250688373 4.765383668495904 13.007962171497601 0.6666666666666666 3.369 312.4466047948089 0 2 3.55 8 12 26 0 51 0 0 3.8119999999999985 14.531343999999988 95.49220000000001 0 4 0 1 0 0 0 1 3 0 0 0 0.11947127827826816 134 1053 49 47.59741319963329 2.0694527478101428 5.090556880978522 5.090556880978522 0 5.700439718141093 37.3 0.8333333333333334 0.45454545454545453 0.19999999999999996 4.858192061470276 2.060298845186337 1.6329931618554518 14.881247710037634 22.67323969010991 7.980896286874797 6.631975707865092 3.3275360194072574 1 0.09999999999999998 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 8 0 3 0 2 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16.467455621301774 5.771564544913741 2.2171831695641218 0.6666666666666666 2410.02 0.7391304347826086 418 16.242276208189782 11.043772185574868 10.354967544050524 10.044842014239695 8.660306886639859 6.971378428572161 5.260912485640918 4.21362009011297 14.399067481404334 9.428478904077918 7.972511880510047 7.429755895076714 6.169638469814345 4.572858351252751 3.142276268668282 2.333619874429809 6.3749952379339545 11.433723488681816 16.534000020079933 4.157233394903708 7.31535069374931 9.836137758399126 2.183456325045712 0.19716878364870322 0.9995378162271851 0.33217131960572266 1.3930452379728981 0.11482726453637371 0.5905672237092564 0.15506428966193248 0 0 0.07216878364870323 0.43863801897132015 1.0423266779230604 0 0 0.07216878364870323 0.3176168285941753 0.6703255454086124 0 0 0 4 3 2 8 3 1 2148.142729524497 2686.9086680596633 4248.959804415402 4660.160247347408 3735.9568582924107 24.548938071081892 26.664183954265127 42.66045988566282 51.324643839927944 43.66045988566282 0.19998489046034734 -0.045361959176021725 -0.051386639786687095 -0.005366315849432605 -0.00526711043308914 1 2 31.567795999999994 57.23420399999997 +0396_00123 11.850000000000001 14.00409126473899 -0.29471308019641496 0.13940904032050386 4.665796610719272 9.947225430838857 0.23529411764705882 2.406 250.33885022833212 0 5 3.11 6 12 20 1 37 0 0 2.689799999999999 7.235024039999995 86.2529 0 2 2 2 2 0 0 0 2 0 0 0 0.14319580160182063 90 778 24 38.25115426915495 2.0132186457449976 5.508742857793161 0 5.508742857793161 5.321928094887363 35.82 0.8333333333333334 0.45454545454545453 0 2.544648289829225 1.6329931618554518 0 15.698175481223792 14.323590128549503 0 2.406851949670727 0 0 0 0 0 0 0.33333333333333337 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 10 2 0 1 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.39 8.3232 5.12 0.25 1102.02 0.8421052631578947 341 13.501789232183626 9.292024997884273 7.647030123272457 6.006439464921966 4.902949573285195 3.7424199851055824 1.8130857165748884 1.255873432656855 11.082523606962019 6.538826491421911 4.730232691131454 3.0979028734707548 2.164607539488872 1.3748624967346816 0.6160414593957613 0.35499018687589373 1.7098580908440557 2.788209835667862 3.4871594695263735 0.788648365240099 1.072995149857919 1.1271969425550548 0.8261326131600777 0 0.08333333333333333 0 0.49036910394333033 0 0.024056261216234408 0 0 0 0 0.20412414523193154 0.1310943487475822 0 0 0 0.06415002990995841 0.04119897909984424 1 0 0 10 2 1 3 0 0 1164.638385650807 1295.169509861635 1623.8317676825698 1541.1531770307347 1333.5658113938523 19.719960602552963 20.49854579954134 25.83090966590223 25.024708033998266 23.163273532263123 0.1770046153759927 -0.05860036896712955 -0.08020046799523418 0.07774693672380602 -0.012348524385002153 1 2 20.997725999999997 44.12227399999998 +0396_00124 11.993638606573619 16.00073217863522 -0.37658769089637745 0.1714341305440309 5.391623257357966 12.86212872161514 0.6818181818181818 4.277 337.45610314480706 0 0 3.55 7 12 29 0 52 0 0 4.2478 18.04380484 99.67540000000001 0 5 1 1 1 0 0 2 3 0 0 0 0.12401981518833333 154 1299 55 52.20775390049971 2.0883101560199884 8.672241769183977 5.61402465292972 3.0582171162542493 5.857980995127573 41.82000000000001 0.8333333333333334 0.45454545454545453 0.520020955762976 7.109497566468201 4.07975752936949 3.1524323982955447 11.7449342426451 19.8797153778974 10.302225540393293 5.688218364190332 6.019187370118453 1.1052094495921163 0 0.09999999999999998 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 7 1 1 1 3 0 1 1 2 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17.122473246135552 5.510416666666667 2.121256391526662 0.75 2536.03 0.8 476 17.449382989376325 11.91158036151885 11.956853207029685 11.726867868713223 9.805408287753133 7.804956110854139 6.347235865108988 5.039405382185819 15.21652456490737 9.75973331715763 9.39404930505795 8.665479099986475 7.136475038546748 5.518076609857951 4.229115567948308 3.105664105725289 8.424729955062897 14.032537011231476 20.90304809820462 5.896964781048999 9.671460597474464 13.978678414767396 2.898075882877712 0.34491320281372373 1.6173420319894496 0.5556615254084084 2.191839625192394 0.24365261598403629 1.0389540921400489 0.28309107982945547 0 0 0.19001991384646116 0.5990705405441119 1.2641466174945613 0 0 0.09852109748343972 0.38236886221797933 0.8289893014399746 1 1 1 2 2 2 7 4 2 2308.613380571972 2937.7605752120458 4793.246200646709 5164.513219777463 4142.553528395026 26.90891837235837 30.38382748451219 50.32491572915626 57.65700770628882 46.66073177489113 0.1795686507102089 -0.03893863511343616 -0.04318170177596676 0.004998939750791671 -0.004823507619130035 1 1 31.432588999999993 59.42741099999998 diff --git a/processed_data/0396/0396_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0396/0396_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..8fababdec --- /dev/null +++ b/processed_data/0396/0396_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 20,34,89,134,139,153,163,199,207,219,311,319,321,326,327,330,341,342,369,374,384,405,422,432,461,481,508,524,567,578,626,638,652,665,680,711,719,727,783,791,842,887,919,936,968,974 +0396_00002 34,91,134,207,240,270,350,390,424,479,516,550,575,585,620,626,640,647,676,733,802,855,912,947,948,968,994,998 +0396_00003 15,62,96,134,145,148,153,175,190,233,270,333,356,421,450,451,487,524,550,586,588,612,662,838,861,888,889,968,972,994,1009,1012 +0396_00004 22,29,58,122,127,134,151,153,167,192,207,227,390,393,474,487,514,515,516,527,550,554,562,586,626,640,647,676,696,781,787,792,895,899,948,968,994 +0396_00005 1,2,11,15,26,42,89,97,118,134,175,183,222,223,226,231,291,318,330,353,374,394,407,411,425,449,461,496,512,524,534,536,540,550,561,592,596,597,626,628,640,648,658,663,666,686,734,760,774,783,815,838,848,854,856,883,936,945,948,956,968,1014 +0396_00006 87,96,134,141,142,153,207,270,281,481,550,558,620,626,640,676,733,802,819,917,947,948,968,970,989 +0396_00007 1,11,15,23,26,37,42,89,134,169,175,186,222,224,226,231,245,249,260,283,291,302,318,353,365,374,391,392,398,432,435,461,473,496,508,512,524,534,540,550,586,590,592,626,640,656,666,686,729,746,774,823,855,866,896,919,930,948,953,954,968,994,1020,1021,1022 +0396_00008 5,134,153,189,207,270,279,281,363,516,550,558,594,620,626,640,669,676,733,802,806,819,947,948,968,970,989,994,998 +0396_00009 87,106,141,144,153,207,231,339,373,431,481,589,626,762,778,802,808,863,886,948,977,999,1023 +0396_00010 4,15,23,25,52,53,84,89,134,138,143,144,175,180,190,191,198,207,245,274,285,392,463,464,487,506,508,511,512,516,524,536,550,554,602,604,626,662,688,734,772,781,786,797,802,806,841,846,857,867,908,936,948,968,971,988,1005 +0396_00011 17,26,35,110,115,122,134,144,153,170,207,226,227,251,310,390,459,515,516,527,532,626,640,647,676,714,787,822,946,948,968,977,995 +0396_00012 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0396_00013 1,2,11,15,26,42,89,104,118,134,135,151,169,175,222,226,228,231,245,291,292,302,330,353,374,445,461,485,492,496,508,512,522,524,534,540,550,553,561,568,586,592,596,626,630,640,656,666,686,722,772,774,793,804,838,854,883,945,948,966,968,969,1013,1014,1022 +0396_00014 53,62,122,134,136,146,153,159,197,206,207,227,235,236,237,305,334,350,390,409,440,495,508,516,522,527,530,550,626,647,787,790,802,809,948,968,1003,1019 +0396_00015 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0396_00016 34,96,134,141,145,151,167,194,207,217,363,390,421,481,487,550,601,626,647,753,802,857,948,968 +0396_00017 20,69,134,146,201,233,236,249,278,280,343,405,407,425,481,493,508,516,555,595,631,670,686,727,762,773,777,780,874,948,960,965,1011 +0396_00018 51,96,104,109,134,145,191,249,335,388,405,408,421,425,481,487,488,507,533,550,554,615,680,773,872,887,896,968,987 +0396_00019 34,91,96,134,145,167,195,207,240,390,421,424,479,487,516,550,575,601,626,647,802,855,857,948,968,994,998 +0396_00020 34,91,96,134,145,167,195,207,240,390,421,424,479,487,516,550,575,601,626,647,802,855,857,948,968,994,998 +0396_00021 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0396_00022 1,2,4,11,15,26,42,89,97,118,134,175,182,183,201,222,223,244,286,318,330,347,353,407,425,444,449,461,496,512,524,534,536,540,549,550,561,596,597,626,628,658,663,666,686,705,709,734,760,778,783,815,838,848,854,856,883,936,945,948,956,968,989,1014,1016 +0396_00023 8,12,15,20,26,55,134,153,164,201,222,245,264,273,365,388,481,506,508,540,550,559,584,610,617,644,662,716,766,797,819,858,862,887,948,968,984,988,994,1005,1022 +0396_00024 34,66,96,134,144,145,167,207,277,390,421,467,487,519,550,601,626,643,647,654,670,802,857,902,911,948,968 +0396_00025 17,26,115,122,134,149,153,207,226,227,239,246,253,270,279,281,310,363,390,471,515,516,522,527,550,558,620,626,640,647,669,676,715,733,787,802,819,946,947,948,968,970,989,995,1019 +0396_00026 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0396_00027 15,106,110,134,175,181,237,285,345,386,389,405,493,524,593,612,652,697,783,788,816,860,920,954,983,986,1022 +0396_00028 1,4,11,15,23,26,37,42,89,134,169,175,182,186,201,222,224,245,249,260,283,286,302,318,347,353,365,391,392,398,414,435,461,496,508,512,524,534,540,549,550,586,590,626,656,666,686,705,709,729,746,778,823,825,855,866,896,919,930,941,948,953,954,968,989,1016,1020,1021,1022 +0396_00029 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0396_00030 15,18,32,57,73,89,94,96,134,145,233,260,298,308,380,383,421,461,484,487,550,556,559,581,592,655,662,682,707,782,783,873,912,914,948,968 +0396_00031 15,37,73,89,94,96,134,145,175,260,274,284,296,298,303,308,380,383,413,421,461,487,497,524,550,592,625,638,652,666,686,782,783,878,915,948,968,1023 +0396_00032 96,111,134,136,145,153,167,207,227,322,367,421,487,516,550,601,620,647,797,802,940,948,968,998 +0396_00033 5,62,96,134,145,153,189,207,230,270,279,363,421,487,516,550,558,588,594,802,806,892,948,968,989,994,998 +0396_00034 4,15,35,40,110,134,144,153,169,170,194,201,206,207,224,227,245,251,277,292,335,346,347,390,408,412,417,442,487,506,508,516,550,584,624,626,636,639,649,662,705,708,709,714,766,779,781,786,797,800,813,818,832,948,968,977,998,1004,1022 +0396_00035 63,73,89,96,134,145,168,245,264,341,380,421,458,461,487,506,508,514,521,534,550,592,662,671,675,683,707,815,836,900,935,936,968 +0396_00036 9,20,28,56,82,93,96,134,145,148,153,207,297,298,410,421,466,483,487,508,550,607,648,670,727,802,852,897,898,931,948,968,994 +0396_00037 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0396_00038 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0396_00039 62,96,134,144,145,153,207,230,238,270,399,421,487,550,558,588,670,765,802,806,839,891,911,948,968,989 +0396_00040 11,28,62,96,134,145,149,153,192,207,230,246,262,270,279,323,360,363,400,420,421,487,516,550,558,588,610,650,685,802,835,892,909,948,953,968,989,1019 +0396_00041 1,15,35,40,89,134,144,153,159,169,170,187,194,206,207,224,227,245,251,292,326,331,346,347,370,390,408,412,423,427,442,446,467,487,498,516,540,550,559,564,624,626,649,705,708,714,779,781,800,813,836,859,936,948,968,977 +0396_00042 39,87,141,153,207,226,254,270,481,541,656,658,773,802,948,994 +0396_00043 45,62,96,126,134,144,145,153,221,270,333,421,436,481,487,550,588,590,870,893,898,948,968,977 +0396_00044 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0396_00045 15,26,32,79,83,86,89,96,103,110,134,174,175,179,191,201,222,223,245,252,254,260,270,274,306,308,332,333,353,360,398,403,425,430,434,439,440,461,473,487,508,524,526,540,544,546,550,561,581,582,607,611,612,617,620,639,650,677,689,701,716,739,758,773,782,810,838,867,873,893,921,939,964,968,972,1006,1017 +0396_00046 62,96,130,134,144,145,153,221,270,367,393,421,487,516,550,563,588,771,785,819,893,898,920,948,968,977,998 +0396_00047 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0396_00048 87,96,134,141,150,153,182,207,220,367,414,421,481,487,514,531,550,696,719,748,802,888,917,945,948,968,985,989 +0396_00049 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0396_00050 4,36,96,128,134,153,181,189,207,238,347,363,408,426,487,499,516,549,550,696,703,705,719,778,798,800,802,806,863,945,948,968,989,994,998 +0396_00051 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0396_00052 62,73,96,134,144,145,153,207,230,240,270,288,334,359,399,402,421,479,487,550,558,588,670,692,694,749,802,806,839,865,909,918,948,968,989,1009 +0396_00053 19,87,96,109,134,141,142,153,207,220,270,281,343,481,522,542,550,558,676,686,802,917,948,968,989 +0396_00054 20,51,64,82,134,153,189,207,231,311,361,363,392,396,516,663,698,757,762,802,850,948,994,998,1008 +0396_00055 5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0396_00056 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0396_00057 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0396_00058 15,20,45,60,73,89,96,111,134,145,153,169,172,207,221,245,257,264,280,290,332,341,347,379,380,421,440,481,487,508,524,540,550,578,592,701,702,727,740,816,905,953,968 +0396_00059 15,20,23,32,60,89,96,122,129,134,138,145,167,172,207,226,233,237,276,300,347,404,421,427,473,487,508,523,549,550,601,647,662,697,727,764,772,785,804,863,888,918,948,968,1001 +0396_00060 14,23,26,28,47,81,117,122,127,134,149,153,207,216,226,227,246,253,260,270,278,279,281,302,305,347,350,353,363,390,467,471,505,508,515,516,522,527,549,550,558,582,586,626,636,640,647,666,669,715,778,787,802,811,812,850,925,948,968,973,980,989,1008,1019 +0396_00061 15,35,40,44,58,134,144,153,169,170,190,194,199,204,206,207,216,224,227,237,245,251,272,292,346,347,390,408,412,442,487,508,516,550,582,584,585,624,626,649,654,683,697,705,708,714,779,781,800,813,890,937,948,968,977,1012,1022 +0396_00062 62,67,78,96,104,134,145,149,153,207,230,245,246,262,266,268,270,279,311,316,317,319,360,363,377,398,404,405,412,421,422,426,451,457,461,487,488,496,508,516,524,545,550,554,558,585,588,603,629,650,686,738,802,803,892,944,948,968,969,984,989,1019 +0396_00063 12,20,43,45,51,53,134,141,153,178,181,206,207,227,235,251,260,263,265,270,278,281,292,300,347,390,392,418,508,516,530,549,550,626,640,649,667,727,728,779,786,790,800,802,806,812,820,943,948,968,985,1019 +0396_00064 15,21,89,153,160,189,207,210,237,256,344,363,465,473,516,538,572,655,716,772,788,802,816,832,948,994,998 +0396_00065 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0396_00066 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0396_00067 62,96,114,119,134,138,144,145,153,155,158,207,230,270,289,296,334,335,399,421,461,479,485,487,512,550,552,558,588,654,670,717,802,806,839,915,918,929,948,968,989 +0396_00068 7,20,36,112,144,145,153,183,194,196,207,226,254,315,330,440,441,508,516,551,594,599,602,670,688,727,738,829,850,851,852,948,994,1010 +0396_00069 20,35,63,70,110,115,122,134,144,153,170,207,227,251,260,347,390,452,459,508,515,516,520,532,543,560,581,594,599,626,640,647,670,714,727,787,822,825,901,905,948,950,968,977 +0396_00070 31,51,53,58,96,130,134,153,174,181,206,207,227,235,257,265,292,346,347,390,392,408,433,487,507,516,550,586,626,649,705,739,763,779,790,800,802,803,813,850,854,946,948,963,968,1019 +0396_00071 15,30,32,89,96,108,134,135,144,145,149,214,233,237,276,280,294,324,369,373,404,421,427,473,487,515,550,626,635,651,662,678,772,784,953,968,996 +0396_00072 15,20,25,49,63,67,80,96,117,134,137,153,155,206,207,229,240,259,292,341,347,390,408,481,487,511,532,550,577,580,616,619,626,657,682,705,725,739,752,764,771,779,780,781,800,813,897,910,928,935,947,968 +0396_00073 4,20,134,153,163,201,226,274,347,353,389,401,451,486,508,515,545,549,550,571,626,635,640,644,666,670,705,707,727,745,773,778,800,852,858,897,948,968,983,994 +0396_00074 15,73,87,89,96,110,134,145,168,179,245,259,359,380,415,421,461,473,487,506,508,514,521,534,550,569,592,662,671,717,733,747,772,788,796,836,854,900,918,935,968 +0396_00075 15,20,23,58,73,89,96,134,145,153,182,229,241,244,272,308,311,312,321,380,421,445,475,487,496,510,516,550,592,733,738,772,814,948,961,964,968,969,994,997 +0396_00076 45,51,53,134,153,181,185,206,207,227,233,235,259,260,265,270,278,281,292,347,349,352,385,390,392,427,430,432,502,516,550,573,583,626,649,691,725,728,761,776,779,790,800,802,812,820,867,915,943,948,957,968,1019 +0396_00077 1,4,11,15,20,26,29,43,44,89,96,132,134,153,175,214,222,260,267,271,294,321,345,390,419,430,471,473,499,515,524,539,540,548,550,573,596,626,640,663,666,676,698,757,762,783,792,818,850,855,883,902,914,947,948,968,1006,1010 +0396_00078 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0396_00079 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0396_00080 62,96,114,134,144,145,153,207,230,243,247,270,334,335,399,421,479,487,512,550,555,558,588,620,670,674,760,802,806,839,918,948,968,989 +0396_00081 20,44,51,53,65,73,134,153,164,181,192,206,207,220,227,235,265,292,330,346,347,360,367,390,392,415,440,476,508,515,516,520,605,626,649,658,703,705,727,744,762,775,779,790,800,802,813,886,916,948,959,968,1019 +0396_00082 14,20,22,35,38,73,96,125,134,145,153,158,167,172,207,265,310,322,366,421,451,487,488,495,508,516,550,551,573,601,626,647,665,727,756,799,968 +0396_00083 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0396_00084 7,20,36,62,94,111,142,144,145,153,183,196,207,238,254,315,330,441,508,516,551,558,594,599,602,670,727,738,829,844,850,851,916,948,971,994,1010 +0396_00085 51,53,58,78,96,126,130,134,153,181,206,207,225,227,235,265,292,346,347,390,392,408,487,516,532,550,626,641,649,696,705,719,774,779,783,790,800,802,803,813,850,904,924,945,946,948,968,1019 +0396_00086 14,20,35,38,61,73,96,110,134,145,153,167,172,207,310,322,341,421,440,451,481,487,488,508,550,551,601,647,665,727,756,799,968 +0396_00087 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0396_00088 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0396_00089 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0396_00090 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0396_00091 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0396_00092 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0396_00093 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0396_00094 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0396_00095 1,11,15,23,26,29,42,44,48,71,89,134,141,144,152,153,160,175,185,207,222,224,226,231,234,245,269,283,291,296,322,335,340,347,353,367,373,374,375,391,398,405,423,430,451,461,512,521,524,526,534,540,545,549,550,580,590,592,626,640,642,654,668,672,673,729,730,757,765,772,774,808,819,870,911,948,968,976,977,992 +0396_00096 3,15,25,26,62,89,98,104,129,134,147,150,191,218,222,245,255,285,288,290,315,353,376,442,443,450,452,461,463,477,492,499,508,513,514,523,566,574,585,600,604,624,672,761,772,782,789,816,835,877,934,948,949,963,964,968,1005,1022 +0396_00097 9,15,20,29,34,51,67,88,110,111,134,153,175,203,237,242,245,260,295,296,322,335,346,347,369,371,386,387,394,411,418,425,430,443,454,467,488,495,499,508,515,524,549,550,555,561,583,619,620,626,635,640,643,654,676,683,686,727,733,735,756,763,773,788,800,812,832,846,897,902,936,947,954,968,987,994,1011 +0396_00098 14,20,38,73,94,96,134,145,153,167,172,207,226,239,310,421,436,451,480,487,488,508,550,551,601,626,647,665,677,727,756,799,968 +0396_00099 14,15,26,89,118,134,193,210,222,230,232,241,245,282,285,288,295,304,310,320,322,343,347,358,375,414,416,436,442,453,474,485,492,499,508,540,566,582,589,605,609,626,656,662,664,686,698,718,723,772,787,802,804,851,855,948,949,973,1014,1022 +0396_00100 14,15,17,26,47,89,131,134,137,139,219,222,241,258,271,281,285,288,290,295,312,320,343,375,393,405,425,453,492,499,512,566,604,605,618,622,626,628,656,662,664,698,718,722,772,802,803,821,832,835,855,903,936,948,949,968,973,992,1014,1022 +0396_00101 3,6,10,15,20,25,26,45,51,58,89,99,101,134,135,139,146,148,197,211,219,222,225,245,246,259,283,288,289,300,310,337,347,349,351,357,369,387,399,401,405,418,436,461,492,496,499,508,513,517,532,534,540,549,578,603,713,727,737,772,819,822,829,870,930,946,948,949,963,968,969,1014,1015,1018,1022 +0396_00102 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0396_00103 4,22,64,76,80,96,109,124,134,148,153,181,206,207,221,227,243,247,257,272,292,328,340,346,347,360,376,390,407,408,424,430,467,487,503,506,516,519,542,547,549,550,597,626,641,649,654,662,683,692,702,705,708,714,728,738,741,762,763,778,779,781,786,796,797,800,813,832,912,943,948,968 +0396_00104 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0396_00105 20,23,35,47,85,95,96,125,134,144,145,150,151,153,170,171,207,220,221,227,251,257,271,292,298,347,351,367,390,394,408,421,487,496,497,506,507,508,513,516,530,531,550,577,590,597,637,662,705,714,726,727,735,781,786,797,800,813,817,832,838,890,897,898,935,948,958,968,973,977,1016 +0396_00106 15,20,35,96,131,134,144,145,153,175,182,207,214,227,237,242,298,310,351,381,421,423,461,478,487,508,524,534,550,565,606,658,678,727,784,802,809,829,837,873,894,899,914,948,954,958,968,971,973,980,994,998,1004,1006 +0396_00107 15,20,21,25,26,61,89,102,125,127,134,150,153,184,197,216,245,255,269,285,290,291,296,303,315,326,343,352,384,404,408,413,443,444,450,452,461,477,492,495,499,508,513,517,523,529,533,566,574,626,629,727,741,748,768,772,782,793,799,813,819,829,836,840,854,880,898,924,926,934,936,948,964,968,970,995,1005,1014,1022 +0396_00108 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0396_00109 15,26,83,87,89,95,128,134,148,193,195,207,222,239,240,245,247,252,281,288,357,368,375,419,442,452,486,492,499,508,513,574,626,635,667,690,716,718,721,756,766,772,793,804,826,851,855,885,902,906,936,948,968,1009,1022 +0396_00110 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0396_00111 15,20,54,67,73,89,94,96,134,145,153,167,175,196,207,222,239,254,260,291,298,303,308,347,380,383,419,421,428,430,461,487,488,497,508,512,524,544,545,550,592,601,602,615,638,643,647,672,702,713,727,782,783,790,818,863,878,887,948,958,968,990,994,1000,1023 +0396_00112 15,16,20,21,25,26,37,89,102,122,134,148,150,153,182,189,197,205,209,220,245,255,269,272,285,290,303,315,326,343,347,364,372,384,405,408,409,421,443,444,448,450,452,461,477,492,499,500,508,513,516,517,519,523,534,544,566,574,626,662,727,746,762,768,772,782,813,819,836,840,880,886,916,924,934,936,948,964,965,968,989,995,1005,1014,1022 +0396_00113 1,20,38,56,61,62,78,96,103,134,138,139,145,153,163,172,174,207,230,241,259,270,277,278,315,354,381,387,405,421,461,487,516,522,530,550,558,564,588,600,606,626,636,651,659,699,719,768,775,777,802,812,843,878,918,930,948,968,983,989 +0396_00114 15,20,21,25,26,31,62,89,102,125,127,134,150,153,197,245,255,269,284,285,290,292,303,315,326,343,384,407,408,413,443,444,450,452,461,477,492,499,508,513,517,523,529,533,547,566,574,626,629,711,712,727,731,768,772,782,790,805,813,819,829,836,839,840,852,880,898,924,926,934,936,948,964,968,974,994,995,1000,1005,1008,1014,1022,1023 +0396_00115 15,26,83,89,95,109,128,130,134,148,151,153,159,161,195,209,222,239,240,245,247,252,267,281,288,293,344,357,368,442,452,486,492,508,513,540,559,574,577,597,626,635,639,690,716,719,721,733,756,766,772,793,804,812,827,851,855,906,909,936,948,968,994,1009,1022 +0396_00116 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0396_00117 14,15,26,35,68,78,89,90,134,149,158,161,189,192,193,209,210,216,219,222,229,236,240,245,260,267,288,293,307,368,427,438,448,471,488,492,499,508,522,533,540,577,601,626,679,716,725,742,750,758,772,821,828,855,873,902,909,922,948,984,1009,1014,1022 +0396_00118 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0396_00119 10,19,20,30,94,134,144,153,211,220,234,260,270,278,281,296,305,316,347,366,392,397,431,489,500,508,515,516,522,530,550,582,589,626,658,672,683,686,702,727,731,771,780,807,812,814,874,878,889,948,968,977,993 +0396_00120 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +0396_00121 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0396_00122 15,26,32,83,89,95,128,134,148,151,153,195,222,238,239,245,247,252,281,288,344,357,368,423,442,452,475,484,486,492,495,508,513,559,563,574,597,626,635,642,690,716,718,721,730,733,756,766,772,793,804,812,851,855,906,916,936,948,968,994,1009,1022 +0396_00123 35,62,96,112,134,145,153,164,167,207,230,252,270,279,303,363,370,420,421,487,498,516,520,540,550,558,560,588,601,647,683,686,802,827,835,892,909,948,949,968,989 +0396_00124 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 diff --git a/processed_data/0396/0396_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0396/0396_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..c743c790d --- /dev/null +++ b/processed_data/0396/0396_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 20,34,85,89,134,139,153,159,197,212,311,319,321,326,341,342,351,384,387,390,401,405,422,432,442,461,481,508,524,578,626,652,678,710,719,727,740,743,746,783,842,887,936,968,974,975,987 +0396_00002 34,91,134,207,240,270,350,390,424,479,516,550,575,585,620,626,640,647,676,733,802,855,912,947,948,968,994,998 +0396_00003 15,62,96,134,145,148,153,175,190,233,270,333,356,421,450,451,487,524,550,586,588,612,662,838,861,888,889,968,972,994,1009,1012 +0396_00004 22,29,58,122,127,134,151,153,167,192,207,227,390,393,474,487,514,515,516,527,550,554,562,586,626,640,647,676,696,781,787,792,895,899,948,968,994 +0396_00005 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0396_00006 134,141,153,163,207,222,270,281,481,531,550,558,620,626,640,676,687,733,802,819,863,947,948,968,970,989 +0396_00007 1,11,15,26,42,89,134,140,175,182,191,222,226,231,245,260,267,269,283,291,302,353,373,374,394,398,423,461,485,496,502,508,512,524,534,540,550,555,565,592,595,626,640,666,681,686,718,724,727,774,778,806,830,838,843,853,855,906,940,943,948,951,954,968,1022 +0396_00008 5,134,153,189,207,270,279,281,363,516,550,558,594,620,626,640,669,676,733,802,806,819,947,948,968,970,989,994,998 +0396_00009 87,106,141,144,153,207,231,339,373,431,481,589,626,762,778,802,808,863,886,948,977,999,1023 +0396_00010 4,15,25,43,52,53,84,89,133,134,143,175,180,193,207,242,245,336,379,392,397,463,487,491,498,506,508,511,512,516,524,550,552,554,602,618,626,662,772,781,786,797,802,806,812,841,857,867,908,923,936,948,968,971,988,1005,1024 +0396_00011 17,26,35,110,115,122,134,144,153,170,207,226,227,251,310,390,459,515,516,527,532,626,640,647,676,714,787,822,946,948,968,977,995 +0396_00012 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0396_00013 1,6,11,15,26,42,85,89,113,134,135,175,222,226,231,245,276,285,291,302,318,353,374,409,461,478,480,496,505,508,512,524,534,540,550,561,580,592,601,603,621,626,630,640,666,686,706,713,738,744,772,774,778,783,806,838,840,853,936,948,968,994,1014,1022 +0396_00014 53,62,122,134,136,146,153,159,197,206,207,227,235,236,237,305,334,350,390,409,440,495,508,516,522,527,530,550,626,647,787,790,802,809,948,968,1003,1019 +0396_00015 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0396_00016 44,53,96,134,141,145,167,207,224,390,403,421,481,483,487,550,568,601,626,647,789,802,948,956,968 +0396_00017 20,69,134,146,201,233,236,249,278,280,343,405,407,425,481,493,508,516,555,595,631,670,686,727,762,773,777,780,874,948,960,965,1011 +0396_00018 51,96,104,109,134,145,191,249,335,388,405,408,421,425,481,487,488,507,533,550,554,615,680,773,872,887,896,968,987 +0396_00019 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0396_00020 53,96,134,145,167,207,208,224,390,421,442,487,516,550,601,626,628,647,694,725,802,891,920,948,956,968,994,998 +0396_00021 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0396_00022 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0396_00023 8,12,15,20,26,55,134,153,164,201,222,245,264,273,365,388,481,506,508,540,550,559,584,610,617,644,662,716,766,797,819,858,862,887,948,968,984,988,994,1005,1022 +0396_00024 48,96,134,144,145,167,207,257,390,421,487,514,535,548,550,601,602,614,626,631,647,670,750,802,827,911,948,968 +0396_00025 17,26,115,122,134,149,153,207,226,227,239,246,253,270,279,281,310,363,390,471,515,516,522,527,550,558,620,626,640,647,669,676,715,733,787,802,819,946,947,948,968,970,989,995,1019 +0396_00026 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0396_00027 15,106,110,134,175,181,237,285,345,386,389,405,493,524,593,612,652,697,783,788,816,860,920,954,983,986,1022 +0396_00028 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0396_00029 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0396_00030 15,18,32,57,73,89,94,96,134,145,233,260,298,308,380,383,421,461,484,487,550,556,559,581,592,655,662,682,707,782,783,873,912,914,948,968 +0396_00031 15,27,37,73,89,96,134,145,164,175,198,253,260,295,298,370,380,382,421,461,487,524,531,550,592,613,666,669,686,688,707,718,762,782,948,968,974,1023 +0396_00032 96,111,134,136,145,153,167,207,227,322,367,421,487,516,550,601,620,647,797,802,940,948,968,998 +0396_00033 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0396_00034 4,15,35,40,110,134,144,153,169,170,194,201,206,207,224,227,245,251,277,292,335,346,347,390,408,412,417,442,487,506,508,516,550,584,624,626,636,639,649,662,705,708,709,714,766,779,781,786,797,800,813,818,832,948,968,977,998,1004,1022 +0396_00035 63,73,89,96,134,145,168,245,264,341,380,421,458,461,487,506,508,514,521,534,550,592,662,671,675,683,707,815,836,900,935,936,968 +0396_00036 9,20,28,56,82,93,96,134,145,148,153,207,297,298,410,421,466,483,487,508,550,607,648,670,727,802,852,897,898,931,948,968,994 +0396_00037 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0396_00038 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0396_00039 62,96,134,144,145,153,207,230,238,270,399,421,487,550,558,588,670,765,802,806,839,891,911,948,968,989 +0396_00040 11,28,62,96,134,145,149,153,192,207,230,246,262,270,279,323,360,363,400,420,421,487,516,550,558,588,610,650,685,802,835,892,909,948,953,968,989,1019 +0396_00041 1,15,35,39,40,69,89,134,144,153,163,169,170,180,186,187,194,206,207,224,227,251,292,326,331,346,347,370,390,394,408,412,413,432,442,487,498,516,540,550,564,573,624,626,649,705,708,714,779,781,800,813,898,908,936,948,968,977 +0396_00042 39,87,141,153,207,226,254,270,481,541,656,658,773,802,948,994 +0396_00043 45,62,96,126,134,144,145,153,221,270,333,421,436,481,487,550,588,590,870,893,898,948,968,977 +0396_00044 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0396_00045 3,15,22,26,41,52,89,96,99,110,134,146,159,174,175,222,223,245,254,260,274,302,332,357,359,360,377,382,421,425,430,433,439,450,461,469,473,477,487,491,508,524,530,540,544,550,557,561,581,587,601,612,638,650,662,677,679,701,727,733,739,758,782,810,838,849,861,893,932,964,968,983,984,990,1006 +0396_00046 62,96,130,134,144,145,153,221,270,367,393,421,487,516,550,563,588,771,785,819,893,898,920,948,968,977,998 +0396_00047 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0396_00048 87,96,134,141,150,153,182,207,220,367,414,421,481,487,514,531,550,696,719,748,802,888,917,945,948,968,985,989 +0396_00049 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0396_00050 4,36,96,128,134,153,181,189,207,238,347,363,408,426,487,499,516,549,550,696,703,705,719,778,798,800,802,806,863,945,948,968,989,994,998 +0396_00051 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0396_00052 62,71,73,96,104,134,144,145,153,207,230,240,270,421,487,549,550,558,584,588,626,670,692,749,760,802,821,865,883,896,909,918,948,968,989,1009 +0396_00053 19,87,96,109,134,141,142,153,207,220,270,281,343,481,522,542,550,558,676,686,802,917,948,968,989 +0396_00054 20,51,64,82,134,153,189,207,231,311,361,363,392,396,516,663,698,757,762,802,850,948,994,998,1008 +0396_00055 5,15,27,35,54,79,122,134,144,153,170,175,190,194,206,207,227,251,292,298,310,344,347,381,390,405,461,516,524,530,555,582,592,626,686,708,709,714,753,773,779,789,800,810,811,812,814,837,931,933,934,948,973,977 +0396_00056 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0396_00057 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0396_00058 15,20,45,60,73,89,96,111,134,145,153,169,172,207,221,245,257,264,280,290,332,341,347,379,380,421,440,481,487,508,524,540,550,578,592,701,702,727,740,816,905,953,968 +0396_00059 15,20,23,32,60,89,96,122,129,134,138,145,167,172,207,226,233,237,276,300,347,404,421,427,473,487,508,523,549,550,601,647,662,697,727,764,772,785,804,863,888,918,948,968,1001 +0396_00060 14,23,26,28,47,81,117,122,127,134,149,153,207,216,226,227,246,253,260,270,278,279,281,302,305,347,350,353,363,390,467,471,505,508,515,516,522,527,549,550,558,582,586,626,636,640,647,666,669,715,778,787,802,811,812,850,925,948,968,973,980,989,1008,1019 +0396_00061 15,35,40,44,58,134,144,153,169,170,190,194,199,204,206,207,216,224,227,237,245,251,272,292,346,347,390,408,412,442,487,508,516,550,582,584,585,624,626,649,654,683,697,705,708,714,779,781,800,813,890,937,948,968,977,1012,1022 +0396_00062 62,67,78,96,104,134,145,149,153,207,230,245,246,262,266,268,270,279,311,316,317,319,360,363,377,398,404,405,412,421,422,426,451,457,461,487,488,496,508,516,524,545,550,554,558,585,588,603,629,650,686,738,802,803,892,944,948,968,969,984,989,1019 +0396_00063 12,20,43,45,51,53,134,141,153,178,181,206,207,227,235,251,260,263,265,270,278,281,292,300,347,390,392,418,508,516,530,549,550,626,640,649,667,727,728,779,786,790,800,802,806,812,820,943,948,968,985,1019 +0396_00064 15,21,89,153,160,189,207,210,237,256,344,363,465,473,516,538,572,655,716,772,788,802,816,832,948,994,998 +0396_00065 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0396_00066 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0396_00067 62,96,114,119,134,138,144,145,153,155,158,207,230,270,289,296,334,335,399,421,461,479,485,487,512,550,552,558,588,654,670,717,802,806,839,915,918,929,948,968,989 +0396_00068 7,20,36,112,144,145,153,183,194,196,207,226,254,315,330,440,441,508,516,551,594,599,602,670,688,727,738,829,850,851,852,948,994,1010 +0396_00069 20,35,63,70,110,115,122,134,144,153,170,207,227,251,260,347,390,452,459,508,515,516,520,532,543,560,581,594,599,626,640,647,670,714,727,787,822,825,901,905,948,950,968,977 +0396_00070 31,51,53,58,96,130,134,153,174,181,206,207,227,235,257,265,292,346,347,390,392,408,433,487,507,516,550,586,626,649,705,739,763,779,790,800,802,803,813,850,854,946,948,963,968,1019 +0396_00071 15,30,32,89,96,108,134,135,144,145,149,214,233,237,276,280,294,324,369,373,404,421,427,473,487,515,550,626,635,651,662,678,772,784,953,968,996 +0396_00072 15,20,25,49,63,67,80,96,117,134,137,153,155,206,207,229,240,259,292,341,347,390,408,481,487,511,532,550,577,580,616,619,626,657,682,705,725,739,752,764,771,779,780,781,800,813,897,910,928,935,947,968 +0396_00073 4,20,134,153,163,201,226,274,347,353,389,401,451,486,508,515,545,549,550,571,626,635,640,644,666,670,705,707,727,745,773,778,800,852,858,897,948,968,983,994 +0396_00074 15,73,87,89,96,110,134,145,168,179,245,259,359,380,415,421,461,473,487,506,508,514,521,534,550,569,592,662,671,717,733,747,772,788,796,836,854,900,918,935,968 +0396_00075 15,20,23,58,73,89,96,134,145,153,182,229,241,244,272,308,311,312,321,380,421,445,475,487,496,510,516,550,592,733,738,772,814,948,961,964,968,969,994,997 +0396_00076 45,51,53,134,153,181,185,206,207,227,233,235,259,260,265,270,278,281,292,347,349,352,385,390,392,427,430,432,502,516,550,573,583,626,649,691,725,728,761,776,779,790,800,802,812,820,867,915,943,948,957,968,1019 +0396_00077 1,11,15,20,26,29,44,89,96,132,134,153,175,199,222,260,263,268,271,285,294,330,364,387,419,430,473,478,499,515,524,540,550,569,626,640,663,666,676,698,743,755,757,762,770,783,787,792,805,818,850,886,897,914,947,948,964,968,992,1010,1013 +0396_00078 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0396_00079 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0396_00080 62,96,114,134,144,145,153,176,207,230,243,247,270,410,421,478,487,493,550,558,588,598,661,670,674,760,802,816,867,918,948,968,989,1020 +0396_00081 20,44,51,53,65,73,134,153,164,181,192,206,207,220,227,235,265,292,330,346,347,360,367,390,392,415,440,476,508,515,516,520,605,626,649,658,703,705,727,744,762,775,779,790,800,802,813,886,916,948,959,968,1019 +0396_00082 14,20,22,35,38,73,96,125,134,145,153,158,167,172,207,265,310,322,366,421,451,487,488,495,508,516,550,551,573,601,626,647,665,727,756,799,968 +0396_00083 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0396_00084 7,20,36,62,94,111,142,144,145,153,183,196,207,238,254,315,330,441,508,516,551,558,594,599,602,670,727,738,829,844,850,851,916,948,971,994,1010 +0396_00085 51,53,58,78,96,126,130,134,153,181,206,207,225,227,235,265,292,346,347,390,392,408,487,516,532,550,626,641,649,696,705,719,774,779,783,790,800,802,803,813,850,904,924,945,946,948,968,1019 +0396_00086 14,20,35,38,61,73,96,110,134,145,153,167,172,207,310,322,341,421,440,451,481,487,488,508,550,551,601,647,665,727,756,799,968 +0396_00087 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0396_00088 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0396_00089 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0396_00090 15,20,21,25,26,36,61,85,89,117,129,134,139,148,153,164,208,216,222,245,255,290,302,305,315,326,332,358,371,401,408,409,440,452,458,477,499,508,513,566,574,584,592,614,626,648,653,681,684,713,727,751,772,782,801,804,843,852,855,862,898,926,934,943,948,968,973,1005,1022 +0396_00091 15,20,25,26,36,61,85,89,129,134,139,148,153,164,222,245,255,290,294,305,315,325,326,350,358,408,413,452,476,477,499,508,513,517,523,527,566,574,592,614,626,640,681,684,727,730,766,772,784,790,801,819,822,835,843,852,855,862,898,925,926,927,934,936,948,968,1005,1009,1022 +0396_00092 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0396_00093 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0396_00094 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0396_00095 1,11,15,26,42,44,58,82,89,113,116,132,134,139,141,144,152,153,160,175,176,185,186,196,209,218,222,226,231,269,291,334,340,347,352,353,366,373,374,394,398,405,430,436,439,461,476,488,511,512,524,526,530,534,540,545,546,549,550,555,560,592,595,626,640,642,644,650,668,672,673,685,765,772,774,789,798,819,847,948,951,968,977 +0396_00096 3,15,25,26,85,89,109,134,148,162,164,191,204,222,233,245,255,290,315,331,358,396,452,461,477,499,508,513,537,550,566,574,585,592,595,601,610,613,614,622,659,684,747,754,772,801,843,855,917,928,934,948,963,968,969,970,1005,1011,1022 +0396_00097 9,15,20,29,34,51,67,88,110,111,134,153,175,203,237,242,245,260,295,296,322,335,346,347,369,371,386,387,394,411,418,425,430,443,454,467,488,495,499,508,515,524,549,550,555,561,583,619,620,626,635,640,643,654,676,683,686,727,733,735,756,763,773,788,800,812,832,846,897,902,936,947,954,968,987,994,1011 +0396_00098 14,20,38,73,94,96,134,145,153,167,172,207,226,239,310,421,436,451,480,487,488,508,550,551,601,626,647,665,677,727,756,799,968 +0396_00099 15,26,49,85,89,102,105,118,120,134,147,193,206,222,230,232,245,265,282,285,304,305,316,322,347,352,358,436,442,474,482,499,508,540,541,566,571,582,609,626,662,686,694,723,764,772,787,801,851,855,879,908,948,962,968,969,971,973,1000,1022 +0396_00100 15,18,26,39,47,49,71,85,87,89,102,120,134,206,219,222,258,265,271,281,285,289,305,316,332,352,358,390,397,405,410,425,429,432,436,482,499,508,541,566,571,622,626,628,662,706,722,764,772,801,803,843,855,903,925,936,948,968,969,971,973,1022 +0396_00101 3,9,15,20,25,26,63,85,89,134,147,148,150,156,186,211,222,238,245,292,300,310,328,347,351,357,358,390,399,401,459,461,462,464,466,473,491,499,502,508,513,517,532,534,540,549,553,562,587,603,621,635,654,689,724,727,769,772,787,801,819,820,829,858,867,888,906,909,946,948,949,963,968,969,987,1015,1022 +0396_00102 15,20,26,36,45,60,61,76,85,89,92,129,134,139,153,200,222,245,260,290,302,305,326,358,372,384,408,413,452,461,476,477,499,508,513,516,517,523,527,566,574,583,592,594,614,626,640,681,727,730,732,772,790,801,819,830,843,852,855,862,878,898,916,925,926,934,936,948,964,968,991,1009 +0396_00103 4,22,64,76,80,96,109,124,134,148,153,181,206,207,221,227,243,247,257,272,292,328,340,346,347,360,376,390,407,408,424,430,467,487,503,506,516,519,542,547,549,550,597,626,641,649,654,662,683,692,702,705,708,714,728,738,741,762,763,778,779,781,786,796,797,800,813,832,912,943,948,968 +0396_00104 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0396_00105 20,23,35,47,85,95,96,125,134,144,145,150,151,153,170,171,207,220,221,227,251,257,271,292,298,347,351,367,390,394,408,421,487,496,497,506,507,508,513,516,530,531,550,577,590,597,637,662,705,714,726,727,735,781,786,797,800,813,817,832,838,890,897,898,935,948,958,968,973,977,1016 +0396_00106 14,15,20,35,96,124,131,134,140,144,145,153,175,207,209,214,227,237,298,310,351,380,381,421,445,461,478,487,508,524,534,550,565,606,636,638,678,727,784,802,829,837,848,873,885,899,914,948,954,958,968,980,994,998 +0396_00107 15,20,25,26,61,85,89,98,134,148,153,164,184,189,222,226,229,245,255,276,284,289,290,315,325,326,358,387,404,408,413,445,452,461,476,477,499,508,513,517,527,536,537,558,566,574,592,614,626,627,650,684,715,727,761,766,772,784,790,801,819,822,829,835,843,859,898,909,925,926,927,934,936,948,964,968,1005,1009,1022 +0396_00108 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0396_00109 3,15,26,38,46,75,85,89,134,148,195,222,226,239,243,245,247,252,254,277,307,344,352,357,368,398,442,452,454,499,502,508,513,571,574,626,634,635,659,690,721,741,756,766,772,794,801,804,822,851,855,906,948,968,971,985,1022 +0396_00110 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0396_00111 15,20,54,67,73,89,94,96,134,145,153,167,175,196,207,222,239,254,260,291,298,303,308,347,380,383,419,421,428,430,461,487,488,497,508,512,524,544,545,550,592,601,602,615,638,643,647,672,702,713,727,782,783,790,818,863,878,887,948,958,968,990,994,1000,1023 +0396_00112 15,20,23,25,26,85,89,98,134,143,148,153,164,170,182,220,226,245,255,278,290,303,315,325,347,358,372,381,405,408,409,413,421,452,461,476,477,499,508,513,517,527,534,544,552,555,566,569,574,592,614,626,649,661,662,684,690,715,718,727,746,762,766,772,779,781,784,801,819,822,835,839,843,886,909,925,927,934,936,948,964,968,989,1005,1009,1020,1022 +0396_00113 1,20,38,56,61,62,78,96,103,134,138,139,145,153,163,172,174,207,230,241,259,270,277,278,315,354,381,387,405,421,461,487,516,522,530,550,558,564,588,600,606,626,636,651,659,699,719,768,775,777,802,812,843,878,918,930,948,968,983,989 +0396_00114 15,20,25,26,62,85,89,98,109,134,148,153,164,189,226,229,245,255,290,292,303,315,325,326,358,408,413,422,452,461,476,477,499,508,513,517,527,537,548,558,566,574,581,592,614,621,626,650,684,715,727,766,768,772,784,801,803,819,822,829,835,839,843,857,898,909,925,926,927,934,936,948,964,968,974,982,994,1000,1003,1005,1008,1009,1016,1022,1023 +0396_00115 15,26,34,38,85,89,134,148,153,160,195,196,197,204,222,239,240,245,247,252,254,267,303,340,344,357,368,380,388,403,430,442,452,454,508,513,559,574,596,626,634,635,690,721,756,766,772,794,801,804,822,851,855,876,906,909,913,945,948,954,968,985,994,999,1009,1022 +0396_00116 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0396_00117 10,15,26,38,55,68,78,85,89,105,134,149,192,222,223,229,234,240,245,260,267,289,316,322,358,362,415,430,458,499,508,519,540,574,596,617,626,634,636,655,671,672,679,725,726,730,742,758,772,801,821,828,855,866,870,873,902,903,909,913,948,1009,1022 +0396_00118 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0396_00119 10,19,20,30,94,134,144,153,211,220,234,260,270,278,281,296,305,316,347,366,392,397,431,489,500,508,515,516,522,530,550,582,589,626,658,672,683,686,702,727,731,771,780,807,812,814,874,878,889,948,968,977,993 +0396_00120 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +0396_00121 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0396_00122 15,26,34,38,55,64,65,85,89,134,140,148,153,195,204,222,239,245,247,252,254,303,340,344,357,368,388,442,451,452,454,508,513,552,555,559,574,626,634,635,690,721,756,766,772,794,801,804,822,851,855,869,906,948,964,968,983,985,994,999,1022 +0396_00123 35,62,96,112,134,145,153,164,167,207,230,252,270,279,303,363,370,420,421,487,498,516,520,540,550,558,560,588,601,647,683,686,802,827,835,892,909,948,949,968,989 +0396_00124 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 diff --git a/processed_data/0396/0396_fingerprints_maccs_canonical_success.tsv b/processed_data/0396/0396_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..34b002e9c --- /dev/null +++ b/processed_data/0396/0396_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0396_00002 54,93,95,113,127,131,139,143,149,151,152,156,157,158,159,160,161,162,163,164,165 +0396_00003 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0396_00004 54,82,86,91,95,100,104,113,114,116,127,131,132,138,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0396_00005 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0396_00006 84,104,111,113,115,127,131,139,143,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00007 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,127,128,129,131,132,137,139,140,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00008 93,104,111,113,115,116,127,131,139,143,149,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00009 66,74,84,90,91,104,108,111,112,115,116,118,131,132,139,141,147,149,151,152,155,156,157,158,160,161,164 +0396_00010 19,37,54,65,74,77,79,80,83,85,90,91,95,96,97,100,104,105,106,108,110,111,113,117,120,121,122,127,131,133,137,139,142,143,144,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00011 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00012 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00013 57,66,72,75,83,85,86,93,96,98,100,101,105,108,111,112,113,115,116,118,120,121,122,127,128,129,132,137,139,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00014 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00015 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00016 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0396_00017 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0396_00018 36,38,47,53,62,65,77,80,81,83,84,88,96,106,120,121,131,133,135,137,142,144,150,151,156,158,161,162,163,165 +0396_00019 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0396_00020 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0396_00021 65,80,85,86,92,97,98,100,110,114,116,117,121,122,137,138,142,148,149,153,154,155,156,158,160,161,162,163,164,165 +0396_00022 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0396_00023 62,66,84,89,90,91,92,98,104,108,110,111,112,114,116,117,121,127,129,131,132,133,135,136,137,142,143,145,147,150,151,154,155,156,158,159,160,161,162,163,164,165 +0396_00024 74,85,86,93,95,122,139,141,148,149,152,156,157,158,160,161,162,163,164,165 +0396_00025 53,54,82,89,95,100,104,111,113,115,116,125,127,129,131,132,139,140,143,145,146,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00026 84,104,111,115,151,155,156,158,160,161,162,163,165 +0396_00027 19,38,52,65,70,77,79,80,83,94,96,100,105,111,118,120,121,122,124,128,129,130,137,142,144,147,148,153,156,158,161,162,165 +0396_00028 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00029 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00030 57,62,82,91,95,98,100,104,108,109,111,116,120,121,132,137,138,145,147,150,151,152,153,156,157,158,160,161,162,163,164,165 +0396_00031 57,62,75,85,86,93,95,98,100,108,109,111,115,116,120,121,122,132,137,138,145,147,148,149,150,152,153,156,157,158,160,161,162,163,164,165 +0396_00032 82,86,93,100,115,149,151,153,155,158,160,161,162,163,165 +0396_00033 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0396_00034 54,66,72,74,82,90,91,92,95,97,98,100,104,105,109,110,111,112,113,116,117,121,126,127,128,131,132,135,137,138,139,141,142,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00035 37,43,57,62,72,77,78,83,89,92,95,96,97,106,110,117,119,120,121,127,131,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0396_00036 85,86,95,100,114,116,122,138,141,148,149,152,153,154,155,156,158,160,161,162,163,164,165 +0396_00037 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00038 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00039 74,85,86,93,111,115,116,122,141,148,149,155,156,158,160,161,162,163,165 +0396_00040 41,80,82,100,104,108,111,115,116,128,129,142,147,151,153,155,156,158,160,161,162,163,165 +0396_00041 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00042 84,91,104,108,111,114,115,116,141,149,151,155,156,158,160,161 +0396_00043 66,74,84,104,111,112,115,149,151,155,156,158,160,161,162,163,165 +0396_00044 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0396_00045 19,26,50,57,66,76,80,83,85,86,89,92,96,97,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0396_00046 66,74,93,104,111,112,115,116,141,149,151,155,156,158,160,161,162,163,165 +0396_00047 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0396_00048 84,104,111,115,116,144,149,150,151,155,156,158,160,161,162,163,165 +0396_00049 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0396_00050 93,104,108,111,113,115,116,126,127,141,143,144,149,150,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00051 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0396_00052 17,85,86,93,100,111,115,116,122,129,148,149,153,155,156,158,160,161,162,163,165 +0396_00053 84,104,111,115,149,151,155,156,158,160,161,162,163,165 +0396_00054 50,74,76,90,93,99,104,108,111,115,116,141,147,149,151,155,156,158,160,161 +0396_00055 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00056 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00057 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00058 62,75,79,83,84,85,86,91,92,95,96,100,104,110,111,117,121,122,127,128,129,132,136,137,138,142,143,148,150,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00059 82,90,91,93,97,98,100,104,111,118,121,123,126,129,137,145,147,151,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00060 54,82,93,95,100,104,110,111,113,115,116,117,125,126,127,129,131,132,133,135,139,140,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00061 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,118,126,127,128,131,132,138,139,141,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00062 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,120,121,122,125,127,128,129,136,137,138,141,142,143,144,145,147,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0396_00063 54,72,74,82,90,93,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00064 91,93,104,108,111,115,116,118,128,129,147,149,151,155,156,158,160,161,163,165 +0396_00065 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0396_00066 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00067 57,83,85,86,93,95,96,100,111,115,116,122,129,132,137,148,149,152,153,155,156,158,160,161,162,163,164,165 +0396_00068 74,79,85,86,92,93,95,99,100,108,110,111,114,117,122,129,136,141,142,148,149,153,154,155,156,158,159,160,161,164 +0396_00069 23,54,66,74,82,85,86,89,93,95,100,104,106,110,112,113,116,117,122,123,126,127,131,132,136,139,140,141,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00070 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,131,132,138,139,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00071 54,66,82,90,91,95,98,100,104,111,112,118,121,125,129,131,137,139,145,147,151,152,153,156,157,158,161,162,163,164,165 +0396_00072 24,38,53,54,69,71,72,77,78,84,90,91,94,95,97,102,104,105,109,111,113,119,124,125,126,127,131,132,139,142,143,145,146,151,152,153,155,156,157,158,159,161,162,163,164,165 +0396_00073 72,85,86,92,93,100,110,113,114,116,117,122,126,127,138,139,141,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00074 22,37,57,62,72,77,78,83,89,91,92,95,96,97,106,110,111,117,119,120,121,127,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0396_00075 62,82,90,91,96,100,105,114,128,133,145,147,150,151,153,155,156,158,160,161,162,163,165 +0396_00076 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00077 50,66,74,75,76,85,86,98,99,100,101,105,108,111,112,113,115,116,121,122,127,128,129,137,138,139,141,143,144,145,147,148,149,150,152,153,155,156,157,158,160,161,162,163,164,165 +0396_00078 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0396_00079 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00080 85,86,93,100,111,115,116,122,125,129,145,148,149,153,155,156,158,160,161,162,163,165 +0396_00081 54,72,74,82,90,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00082 24,51,60,61,67,68,69,71,72,73,81,88,89,90,92,94,97,102,104,110,111,117,124,125,130,131,132,136,139,145,146,148,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00083 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00084 74,79,85,86,92,93,95,99,100,108,110,111,114,115,117,122,128,129,136,141,142,147,148,149,153,154,155,156,158,159,160,161,164 +0396_00085 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,128,131,132,138,139,143,144,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00086 51,60,61,67,73,81,84,88,89,92,97,102,104,110,111,117,124,125,132,136,145,148,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00087 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0396_00088 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0396_00089 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00090 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00091 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00092 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00093 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00094 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0396_00095 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00096 26,50,57,66,76,98,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00097 36,62,75,81,83,85,86,88,95,96,98,100,105,109,111,113,118,120,121,122,125,126,127,128,129,131,132,137,138,139,140,143,144,145,146,147,148,150,152,153,154,155,157,158,159,161,162,163,164,165 +0396_00098 51,60,61,67,73,81,88,89,102,104,123,124,125,132,136,139,145,146,148,153,154,155,157,159,162,163,164,165 +0396_00099 52,53,65,66,68,69,80,83,90,91,92,94,95,96,97,104,105,108,110,111,112,113,115,116,117,118,120,121,124,127,128,129,131,132,137,139,141,142,143,144,145,147,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0396_00100 52,54,65,66,69,80,83,90,91,94,95,96,97,104,105,108,112,115,116,118,120,121,124,127,128,129,131,132,137,139,141,142,143,144,145,147,149,150,151,152,156,157,159,160,161,162,163,164,165 +0396_00101 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00102 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00103 54,65,72,82,83,86,90,91,93,95,96,97,100,104,105,109,111,113,121,125,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00104 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0396_00105 65,66,72,74,82,83,90,95,96,97,100,105,109,112,113,116,121,123,125,126,127,131,132,137,138,141,142,143,145,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00106 57,66,75,83,85,86,92,95,96,98,100,108,109,110,111,112,115,117,118,120,121,122,125,129,132,137,138,142,145,147,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00107 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00108 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0396_00109 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0396_00110 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0396_00111 57,62,75,85,86,95,98,100,108,109,111,114,116,118,120,121,122,123,125,126,128,129,132,137,138,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00112 26,50,57,66,72,76,78,83,89,91,92,95,96,97,99,101,104,105,108,109,110,112,115,116,117,119,120,121,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0396_00113 37,49,52,57,65,70,71,75,77,78,79,80,83,89,92,94,95,96,97,102,106,110,111,115,117,119,120,121,122,124,125,130,133,135,137,142,145,148,151,155,156,157,158,159,160,161,162,163,164,165 +0396_00114 26,50,57,66,72,76,82,83,89,91,96,99,101,104,105,108,109,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00115 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0396_00116 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00117 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0396_00118 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00119 66,72,74,92,104,110,111,112,113,117,123,125,126,127,131,132,133,135,136,139,140,141,143,145,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00120 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00121 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0396_00122 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0396_00123 41,79,104,111,115,125,142,145,151,155,156,158,160,161,162,163,165 +0396_00124 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 diff --git a/processed_data/0396/0396_fingerprints_maccs_isomeric_success.tsv b/processed_data/0396/0396_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..34b002e9c --- /dev/null +++ b/processed_data/0396/0396_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0396_00002 54,93,95,113,127,131,139,143,149,151,152,156,157,158,159,160,161,162,163,164,165 +0396_00003 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0396_00004 54,82,86,91,95,100,104,113,114,116,127,131,132,138,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0396_00005 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0396_00006 84,104,111,113,115,127,131,139,143,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00007 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,127,128,129,131,132,137,139,140,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00008 93,104,111,113,115,116,127,131,139,143,149,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00009 66,74,84,90,91,104,108,111,112,115,116,118,131,132,139,141,147,149,151,152,155,156,157,158,160,161,164 +0396_00010 19,37,54,65,74,77,79,80,83,85,90,91,95,96,97,100,104,105,106,108,110,111,113,117,120,121,122,127,131,133,137,139,142,143,144,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00011 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00012 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00013 57,66,72,75,83,85,86,93,96,98,100,101,105,108,111,112,113,115,116,118,120,121,122,127,128,129,132,137,139,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00014 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00015 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00016 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0396_00017 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0396_00018 36,38,47,53,62,65,77,80,81,83,84,88,96,106,120,121,131,133,135,137,142,144,150,151,156,158,161,162,163,165 +0396_00019 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54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00042 84,91,104,108,111,114,115,116,141,149,151,155,156,158,160,161 +0396_00043 66,74,84,104,111,112,115,149,151,155,156,158,160,161,162,163,165 +0396_00044 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0396_00045 19,26,50,57,66,76,80,83,85,86,89,92,96,97,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0396_00046 66,74,93,104,111,112,115,116,141,149,151,155,156,158,160,161,162,163,165 +0396_00047 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0396_00048 84,104,111,115,116,144,149,150,151,155,156,158,160,161,162,163,165 +0396_00049 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0396_00050 93,104,108,111,113,115,116,126,127,141,143,144,149,150,151,152,155,156,157,158,160,161,162,163,164,165 +0396_00051 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0396_00052 17,85,86,93,100,111,115,116,122,129,148,149,153,155,156,158,160,161,162,163,165 +0396_00053 84,104,111,115,149,151,155,156,158,160,161,162,163,165 +0396_00054 50,74,76,90,93,99,104,108,111,115,116,141,147,149,151,155,156,158,160,161 +0396_00055 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00056 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00057 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00058 62,75,79,83,84,85,86,91,92,95,96,100,104,110,111,117,121,122,127,128,129,132,136,137,138,142,143,148,150,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00059 82,90,91,93,97,98,100,104,111,118,121,123,126,129,137,145,147,151,153,154,156,157,158,159,160,161,162,163,164,165 +0396_00060 54,82,93,95,100,104,110,111,113,115,116,117,125,126,127,129,131,132,133,135,139,140,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00061 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,118,126,127,128,131,132,138,139,141,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00062 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,120,121,122,125,127,128,129,136,137,138,141,142,143,144,145,147,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0396_00063 54,72,74,82,90,93,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00064 91,93,104,108,111,115,116,118,128,129,147,149,151,155,156,158,160,161,163,165 +0396_00065 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0396_00066 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00067 57,83,85,86,93,95,96,100,111,115,116,122,129,132,137,148,149,152,153,155,156,158,160,161,162,163,164,165 +0396_00068 74,79,85,86,92,93,95,99,100,108,110,111,114,117,122,129,136,141,142,148,149,153,154,155,156,158,159,160,161,164 +0396_00069 23,54,66,74,82,85,86,89,93,95,100,104,106,110,112,113,116,117,122,123,126,127,131,132,136,139,140,141,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00070 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,131,132,138,139,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00071 54,66,82,90,91,95,98,100,104,111,112,118,121,125,129,131,137,139,145,147,151,152,153,156,157,158,161,162,163,164,165 +0396_00072 24,38,53,54,69,71,72,77,78,84,90,91,94,95,97,102,104,105,109,111,113,119,124,125,126,127,131,132,139,142,143,145,146,151,152,153,155,156,157,158,159,161,162,163,164,165 +0396_00073 72,85,86,92,93,100,110,113,114,116,117,122,126,127,138,139,141,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00074 22,37,57,62,72,77,78,83,89,91,92,95,96,97,106,110,111,117,119,120,121,127,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0396_00075 62,82,90,91,96,100,105,114,128,133,145,147,150,151,153,155,156,158,160,161,162,163,165 +0396_00076 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00077 50,66,74,75,76,85,86,98,99,100,101,105,108,111,112,113,115,116,121,122,127,128,129,137,138,139,141,143,144,145,147,148,149,150,152,153,155,156,157,158,160,161,162,163,164,165 +0396_00078 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0396_00079 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00080 85,86,93,100,111,115,116,122,125,129,145,148,149,153,155,156,158,160,161,162,163,165 +0396_00081 54,72,74,82,90,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00082 24,51,60,61,67,68,69,71,72,73,81,88,89,90,92,94,97,102,104,110,111,117,124,125,130,131,132,136,139,145,146,148,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00083 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00084 74,79,85,86,92,93,95,99,100,108,110,111,114,115,117,122,128,129,136,141,142,147,148,149,153,154,155,156,158,159,160,161,164 +0396_00085 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,128,131,132,138,139,143,144,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00086 51,60,61,67,73,81,84,88,89,92,97,102,104,110,111,117,124,125,132,136,145,148,151,153,154,155,156,158,159,161,162,163,164,165 +0396_00087 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0396_00088 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0396_00089 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00090 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00091 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00092 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00093 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00094 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0396_00095 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00096 26,50,57,66,76,98,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00097 36,62,75,81,83,85,86,88,95,96,98,100,105,109,111,113,118,120,121,122,125,126,127,128,129,131,132,137,138,139,140,143,144,145,146,147,148,150,152,153,154,155,157,158,159,161,162,163,164,165 +0396_00098 51,60,61,67,73,81,88,89,102,104,123,124,125,132,136,139,145,146,148,153,154,155,157,159,162,163,164,165 +0396_00099 52,53,65,66,68,69,80,83,90,91,92,94,95,96,97,104,105,108,110,111,112,113,115,116,117,118,120,121,124,127,128,129,131,132,137,139,141,142,143,144,145,147,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0396_00100 52,54,65,66,69,80,83,90,91,94,95,96,97,104,105,108,112,115,116,118,120,121,124,127,128,129,131,132,137,139,141,142,143,144,145,147,149,150,151,152,156,157,159,160,161,162,163,164,165 +0396_00101 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00102 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00103 54,65,72,82,83,86,90,91,93,95,96,97,100,104,105,109,111,113,121,125,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0396_00104 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0396_00105 65,66,72,74,82,83,90,95,96,97,100,105,109,112,113,116,121,123,125,126,127,131,132,137,138,141,142,143,145,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00106 57,66,75,83,85,86,92,95,96,98,100,108,109,110,111,112,115,117,118,120,121,122,125,129,132,137,138,142,145,147,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00107 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00108 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0396_00109 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0396_00110 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0396_00111 57,62,75,85,86,95,98,100,108,109,111,114,116,118,120,121,122,123,125,126,128,129,132,137,138,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00112 26,50,57,66,72,76,78,83,89,91,92,95,96,97,99,101,104,105,108,109,110,112,115,116,117,119,120,121,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0396_00113 37,49,52,57,65,70,71,75,77,78,79,80,83,89,92,94,95,96,97,102,106,110,111,115,117,119,120,121,122,124,125,130,133,135,137,142,145,148,151,155,156,157,158,159,160,161,162,163,164,165 +0396_00114 26,50,57,66,72,76,82,83,89,91,96,99,101,104,105,108,109,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0396_00115 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0396_00116 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00117 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0396_00118 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00119 66,72,74,92,104,110,111,112,113,117,123,125,126,127,131,132,133,135,136,139,140,141,143,145,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0396_00120 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0396_00121 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0396_00122 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0396_00123 41,79,104,111,115,125,142,145,151,155,156,158,160,161,162,163,165 +0396_00124 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 diff --git a/processed_data/0396/0396_fingerprints_pubchem_canonical_success.tsv b/processed_data/0396/0396_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..b3f36c0be --- /dev/null +++ b/processed_data/0396/0396_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0396_00002 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0396_00003 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0396_00004 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0396_00005 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00006 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711,715,778 +0396_00007 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0396_00008 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711,715,778 +0396_00009 10,11,12,15,19,284,285,286,287,300,309,333,334,338,339,341,342,345,346,352,353,366,375,394,407,529,583,593,618,638,644,680,681,684,689,690,692,698,704,709,710 +0396_00010 10,11,12,15,16,19,20,144,146,147,179,180,214,219,220,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,376,377,378,380,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,442,443,447,450,451,452,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,522,524,525,528,529,531,539,540,541,546,547,548,549,550,553,556,557,561,565,567,570,571,572,573,574,575,577,579,583,585,586,593,594,596,597,600,601,604,608,609,612,614,618,619,620,629,634,635,637,638,639,641,642,644,646,647,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,699,709,710,711,738,759,771,801,822,834 +0396_00011 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,736,741,799,804 +0396_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0396_00013 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00014 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,385,391,393,394,407,415,417,431,435,438,442,447,450,458,460,465,471,491,503,517,521,525,529,541,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,593,596,600,601,604,608,609,614,618,619,620,634,635,638,641,642,644,656,657,660,661,665,666,668,669,678,679,680,681,684,689,690,692,697,699,704,709,710,711,717,780 +0396_00015 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0396_00016 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00017 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,375,376,380,391,393,394,413,415,419,421,422,423,440,444,451,452,458,460,468,469,480,487,490,509,512,518,520,561,597,636,644,648,655 +0396_00018 10,11,12,15,16,34,144,146,147,179,180,256,257,258,284,285,286,294,300,333,334,345,352,354,356,357,359,371,372,376,377,379,380,384,385,388,391,394,397,404,413,417,419,422,431,435,439,442,443,447,450,451,454,471,473,474,475,476,481,483,485,488,490,491,496,501,507,508,509,512,517,521,524,525,534,539,546,553,557,561,565,571,579,583,585,586,587,593,596,600,604,608,609,614,619,635,641,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0396_00019 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00020 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00021 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0396_00022 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00023 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,593,596,598,600,601,604,608,609,614,619,634,635,641,644,646,651,657,661,665,666,669,678,679,680,684,685,689,693,695,696,697,698,705,709,710,711,712,713,717,780 +0396_00024 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00025 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0396_00026 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00027 10,11,15,16,17,144,146,147,214,219,220,256,257,284,285,286,301,333,345,346,352,359,360,366,376,380,390,391,397,419,423,439,443,451,454,487,488,497,505,516,518,520,522,539,540,541,561,583,593,597,614,655,657,680,684 +0396_00028 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0396_00029 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0396_00030 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,644,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00031 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00032 10,11,12,15,179,180,256,284,285,286,300,333,334,336,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711,713 +0396_00033 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00034 10,11,12,13,15,16,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,557,565,566,567,568,571,572,574,575,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,692,693,694,696,697,699,703,704,705,706,708,709,710,711,743,757,759,806,820,822 +0396_00035 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0396_00036 10,11,12,15,19,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,657,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0396_00037 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0396_00038 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0396_00039 10,11,12,15,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00040 10,11,12,15,16,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,471,491,517,521,525,529,541,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00041 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0396_00042 10,11,15,284,285,286,300,333,334,336,339,341,345,346,352,366,375,394,529,583,593,644,680,684,709,710,711 +0396_00043 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0396_00044 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0396_00045 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,188,189,193,200,214,220,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,574,579,580,582,583,585,586,593,594,595,596,600,601,604,608,609,614,615,619,620,629,634,635,638,639,641,643,646,647,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0396_00046 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0396_00047 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0396_00048 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711,713,756,819 +0396_00049 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0396_00050 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,709,710,711,757,820 +0396_00051 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0396_00052 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10,11,12,15,19,20,34,179,180,186,187,256,258,284,285,286,287,294,300,302,309,333,334,345,350,352,353,354,356,357,369,371,372,385,394,396,413,415,417,421,431,435,440,442,444,447,452,458,466,471,491,508,515,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,644,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00083 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0396_00084 10,11,12,15,16,19,20,284,285,286,287,333,339,341,345,346,352,353,366,375,391,392,417,421,435,440,442,444,447,452,465,517,525,536,537,541,554,570,580,593,600,603,612,614,646,647,657,672,673 +0396_00085 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,757,820 +0396_00086 10,11,12,15,19,20,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,345,350,352,353,354,356,357,369,371,372,385,394,413,415,417,421,431,435,440,442,444,447,452,458,466,471,491,508,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,644,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00087 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0396_00088 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0396_00089 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0396_00090 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00091 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00092 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00093 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00094 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0396_00095 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00096 10,11,12,13,19,20,179,180,182,183,186,187,193,200,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,580,583,600,615,638,641,661,672,673,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820 +0396_00097 10,11,12,13,15,19,20,21,34,144,147,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,287,294,309,333,334,342,345,346,347,352,353,354,356,357,366,367,371,372,382,383,384,385,386,391,392,406,407,413,417,421,422,431,433,435,442,444,447,471,472,477,481,491,494,499,501,508,514,517,521,525,532,533,536,541,542,543,549,553,554,557,565,566,567,571,574,575,579,580,583,585,587,590,591,593,595,596,598,600,604,605,607,609,614,615,616,618,619,620,621,624,627,633,635,638,641,642,652,656,657,659,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,742,758,778,805,821 +0396_00098 10,11,12,19,20,34,179,180,186,187,256,258,284,285,287,294,309,333,334,345,350,353,354,356,357,369,371,372,381,385,407,413,415,417,421,431,435,441,442,444,447,453,458,466,471,491,508,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00099 10,11,12,13,15,16,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,300,301,309,333,334,335,336,338,341,342,345,352,353,356,357,358,359,375,377,382,385,388,394,395,399,400,407,417,419,421,423,431,432,438,440,442,443,444,450,452,465,468,478,491,494,511,516,519,523,524,525,528,531,536,539,540,546,550,554,556,557,571,580,581,583,593,594,596,601,602,609,617,618,622,624,625,634,635,638,641,644,645,661,666,669,672,674,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,780,798,801,819,822,840,841,861,862 +0396_00100 10,11,12,13,15,16,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,300,301,309,333,334,335,336,338,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,385,388,394,395,399,400,407,417,419,423,431,432,436,438,442,443,446,447,448,450,462,465,468,478,491,497,516,523,524,525,528,531,539,540,546,549,550,556,557,567,571,572,574,575,577,583,593,594,596,600,601,602,609,617,618,620,622,634,635,638,641,642,644,645,656,661,666,668,669,679,680,681,683,684,689,690,697,698,699,700,709,710,711,712,713,777,780,798,799,801,819,820,822,827,840,841,861,862 +0396_00101 10,11,12,13,19,20,21,116,119,144,145,147,151,179,180,183,186,187,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,580,583,600,615,638,641,642,661,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00102 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00103 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,257,258,260,262,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,616,619,620,621,627,629,631,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,762,806,820,822,825 +0396_00104 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0396_00105 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,337,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,567,568,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,665,666,667,669,672,673,678,679,680,681,683,684,685,689,690,692,693,697,699,703,704,705,709,710,711,743,757,759,806,820,822 +0396_00106 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,335,336,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,593,596,598,600,604,608,609,614,615,616,619,635,641,646,647,657,660,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0396_00107 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0396_00108 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0396_00109 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00110 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0396_00111 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,567,571,574,575,579,580,583,585,593,595,596,598,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0396_00112 10,11,12,13,15,19,20,21,144,145,149,150,151,179,180,183,186,187,193,284,285,286,287,309,333,334,335,336,337,340,341,342,345,347,352,353,367,375,381,391,406,407,417,419,421,431,433,435,441,442,443,444,447,453,454,463,491,517,525,536,537,538,540,554,557,567,572,580,582,583,593,600,606,615,616,618,638,639,641,643,661,672,673,679,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,704,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,843,861,862,864,869 +0396_00113 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,302,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,378,382,385,388,391,393,394,397,417,419,421,423,424,431,435,436,438,440,442,443,444,446,447,448,450,451,452,454,462,465,471,478,488,491,492,495,496,497,498,500,503,516,517,520,521,522,525,537,541,543,544,546,547,548,550,553,557,560,565,567,570,571,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,641,644,657,658,660,661,665,666,669,678,679,680,684,689,697,709,710,711 +0396_00114 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0396_00115 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00116 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0396_00117 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00118 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0396_00119 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,565,566,568,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,606,607,608,609,614,615,618,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,705,709,710,711,715,735,738,778,798,801 +0396_00120 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00121 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0396_00122 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00123 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,644,657,661,665,669,677,678,679,680,684,689,697,709,710,711 +0396_00124 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 diff --git a/processed_data/0396/0396_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0396/0396_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..b3f36c0be --- /dev/null +++ b/processed_data/0396/0396_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,125 @@ +id bits.on +0396_00001 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0396_00002 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0396_00003 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0396_00004 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0396_00005 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00006 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711,715,778 +0396_00007 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0396_00008 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711,715,778 +0396_00009 10,11,12,15,19,284,285,286,287,300,309,333,334,338,339,341,342,345,346,352,353,366,375,394,407,529,583,593,618,638,644,680,681,684,689,690,692,698,704,709,710 +0396_00010 10,11,12,15,16,19,20,144,146,147,179,180,214,219,220,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,376,377,378,380,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,442,443,447,450,451,452,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,522,524,525,528,529,531,539,540,541,546,547,548,549,550,553,556,557,561,565,567,570,571,572,573,574,575,577,579,583,585,586,593,594,596,597,600,601,604,608,609,612,614,618,619,620,629,634,635,637,638,639,641,642,644,646,647,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,699,709,710,711,738,759,771,801,822,834 +0396_00011 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,736,741,799,804 +0396_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0396_00013 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00014 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,385,391,393,394,407,415,417,431,435,438,442,447,450,458,460,465,471,491,503,517,521,525,529,541,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,593,596,600,601,604,608,609,614,618,619,620,634,635,638,641,642,644,656,657,660,661,665,666,668,669,678,679,680,681,684,689,690,692,697,699,704,709,710,711,717,780 +0396_00015 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0396_00016 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00017 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,375,376,380,391,393,394,413,415,419,421,422,423,440,444,451,452,458,460,468,469,480,487,490,509,512,518,520,561,597,636,644,648,655 +0396_00018 10,11,12,15,16,34,144,146,147,179,180,256,257,258,284,285,286,294,300,333,334,345,352,354,356,357,359,371,372,376,377,379,380,384,385,388,391,394,397,404,413,417,419,422,431,435,439,442,443,447,450,451,454,471,473,474,475,476,481,483,485,488,490,491,496,501,507,508,509,512,517,521,524,525,534,539,546,553,557,561,565,571,579,583,585,586,587,593,596,600,604,608,609,614,619,635,641,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0396_00019 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00020 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00021 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0396_00022 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00023 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,593,596,598,600,601,604,608,609,614,619,634,635,641,644,646,651,657,661,665,666,669,678,679,680,684,685,689,693,695,696,697,698,705,709,710,711,712,713,717,780 +0396_00024 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00025 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0396_00026 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00027 10,11,15,16,17,144,146,147,214,219,220,256,257,284,285,286,301,333,345,346,352,359,360,366,376,380,390,391,397,419,423,439,443,451,454,487,488,497,505,516,518,520,522,539,540,541,561,583,593,597,614,655,657,680,684 +0396_00028 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0396_00029 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0396_00030 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,644,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00031 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0396_00032 10,11,12,15,179,180,256,284,285,286,300,333,334,336,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711,713 +0396_00033 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00034 10,11,12,13,15,16,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,557,565,566,567,568,571,572,574,575,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,692,693,694,696,697,699,703,704,705,706,708,709,710,711,743,757,759,806,820,822 +0396_00035 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0396_00036 10,11,12,15,19,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,657,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0396_00037 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0396_00038 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0396_00039 10,11,12,15,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00040 10,11,12,15,16,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,471,491,517,521,525,529,541,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0396_00041 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0396_00042 10,11,15,284,285,286,300,333,334,336,339,341,345,346,352,366,375,394,529,583,593,644,680,684,709,710,711 +0396_00043 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0396_00044 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0396_00045 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,188,189,193,200,214,220,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,574,579,580,582,583,585,586,593,594,595,596,600,601,604,608,609,614,615,619,620,629,634,635,638,639,641,643,646,647,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0396_00046 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0396_00047 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0396_00048 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711,713,756,819 +0396_00049 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0396_00050 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,709,710,711,757,820 +0396_00051 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0396_00052 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10,11,12,15,19,20,34,179,180,186,187,256,258,284,285,286,287,294,300,302,309,333,334,345,350,352,353,354,356,357,369,371,372,385,394,396,413,415,417,421,431,435,440,442,444,447,452,458,466,471,491,508,515,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,644,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00083 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0396_00084 10,11,12,15,16,19,20,284,285,286,287,333,339,341,345,346,352,353,366,375,391,392,417,421,435,440,442,444,447,452,465,517,525,536,537,541,554,570,580,593,600,603,612,614,646,647,657,672,673 +0396_00085 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,757,820 +0396_00086 10,11,12,15,19,20,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,345,350,352,353,354,356,357,369,371,372,385,394,413,415,417,421,431,435,440,442,444,447,452,458,466,471,491,508,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,644,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00087 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0396_00088 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0396_00089 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0396_00090 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00091 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00092 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00093 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00094 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0396_00095 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0396_00096 10,11,12,13,19,20,179,180,182,183,186,187,193,200,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,580,583,600,615,638,641,661,672,673,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820 +0396_00097 10,11,12,13,15,19,20,21,34,144,147,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,287,294,309,333,334,342,345,346,347,352,353,354,356,357,366,367,371,372,382,383,384,385,386,391,392,406,407,413,417,421,422,431,433,435,442,444,447,471,472,477,481,491,494,499,501,508,514,517,521,525,532,533,536,541,542,543,549,553,554,557,565,566,567,571,574,575,579,580,583,585,587,590,591,593,595,596,598,600,604,605,607,609,614,615,616,618,619,620,621,624,627,633,635,638,641,642,652,656,657,659,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,742,758,778,805,821 +0396_00098 10,11,12,19,20,34,179,180,186,187,256,258,284,285,287,294,309,333,334,345,350,353,354,356,357,369,371,372,381,385,407,413,415,417,421,431,435,441,442,444,447,453,458,466,471,491,508,517,521,525,553,557,565,571,579,583,585,587,596,600,604,609,619,635,641,659,661,665,669,678,679,680,689,697,698,709,710,711 +0396_00099 10,11,12,13,15,16,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,300,301,309,333,334,335,336,338,341,342,345,352,353,356,357,358,359,375,377,382,385,388,394,395,399,400,407,417,419,421,423,431,432,438,440,442,443,444,450,452,465,468,478,491,494,511,516,519,523,524,525,528,531,536,539,540,546,550,554,556,557,571,580,581,583,593,594,596,601,602,609,617,618,622,624,625,634,635,638,641,644,645,661,666,669,672,674,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,780,798,801,819,822,840,841,861,862 +0396_00100 10,11,12,13,15,16,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,300,301,309,333,334,335,336,338,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,385,388,394,395,399,400,407,417,419,423,431,432,436,438,442,443,446,447,448,450,462,465,468,478,491,497,516,523,524,525,528,531,539,540,546,549,550,556,557,567,571,572,574,575,577,583,593,594,596,600,601,602,609,617,618,620,622,634,635,638,641,642,644,645,656,661,666,668,669,679,680,681,683,684,689,690,697,698,699,700,709,710,711,712,713,777,780,798,799,801,819,820,822,827,840,841,861,862 +0396_00101 10,11,12,13,19,20,21,116,119,144,145,147,151,179,180,183,186,187,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,580,583,600,615,638,641,642,661,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00102 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0396_00103 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,257,258,260,262,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,616,619,620,621,627,629,631,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,762,806,820,822,825 +0396_00104 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0396_00105 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,337,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,567,568,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,665,666,667,669,672,673,678,679,680,681,683,684,685,689,690,692,693,697,699,703,704,705,709,710,711,743,757,759,806,820,822 +0396_00106 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,335,336,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,593,596,598,600,604,608,609,614,615,616,619,635,641,646,647,657,660,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0396_00107 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0396_00108 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0396_00109 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00110 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0396_00111 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,567,571,574,575,579,580,583,585,593,595,596,598,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0396_00112 10,11,12,13,15,19,20,21,144,145,149,150,151,179,180,183,186,187,193,284,285,286,287,309,333,334,335,336,337,340,341,342,345,347,352,353,367,375,381,391,406,407,417,419,421,431,433,435,441,442,443,444,447,453,454,463,491,517,525,536,537,538,540,554,557,567,572,580,582,583,593,600,606,615,616,618,638,639,641,643,661,672,673,679,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,704,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,843,861,862,864,869 +0396_00113 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,302,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,378,382,385,388,391,393,394,397,417,419,421,423,424,431,435,436,438,440,442,443,444,446,447,448,450,451,452,454,462,465,471,478,488,491,492,495,496,497,498,500,503,516,517,520,521,522,525,537,541,543,544,546,547,548,550,553,557,560,565,567,570,571,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,641,644,657,658,660,661,665,666,669,678,679,680,684,689,697,709,710,711 +0396_00114 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0396_00115 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00116 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0396_00117 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00118 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0396_00119 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,565,566,568,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,606,607,608,609,614,615,618,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,705,709,710,711,715,735,738,778,798,801 +0396_00120 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0396_00121 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0396_00122 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0396_00123 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,644,657,661,665,669,677,678,679,680,684,689,697,709,710,711 +0396_00124 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 diff --git a/processed_data/0396/0396_gradient.tsv b/processed_data/0396/0396_gradient.tsv new file mode 100644 index 000000000..e40ecef1a --- /dev/null +++ b/processed_data/0396/0396_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0.5 0.3 95 5 +3.5 0.3 80 20 +5.5 0.3 75 25 +7 0.3 43 57 +8 0.3 10 90 diff --git a/processed_data/0396/0396_info.tsv b/processed_data/0396/0396_info.tsv new file mode 100644 index 000000000..cea59cbcc --- /dev/null +++ b/processed_data/0396/0396_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0396 10.1016/j.chroma.2013.03.006 Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan ROASMI_55 diff --git a/processed_data/0396/0396_metadata.tsv b/processed_data/0396/0396_metadata.tsv new file mode 100644 index 000000000..fb501f853 --- /dev/null +++ b/processed_data/0396/0396_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0396 Waters ACQUITY UPLC BEH C18 L1 50 2.1 1.7 30 0.3 0.3675 100 0 0 0 0 0 0 0 0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 10 90 0 0 diff --git a/processed_data/0396/0396_report_canonical.pdf b/processed_data/0396/0396_report_canonical.pdf new file mode 100644 index 000000000..bd4df6510 Binary files /dev/null and b/processed_data/0396/0396_report_canonical.pdf differ diff --git a/processed_data/0396/0396_report_isomeric.pdf b/processed_data/0396/0396_report_isomeric.pdf new file mode 100644 index 000000000..6c3785189 Binary files /dev/null and b/processed_data/0396/0396_report_isomeric.pdf differ diff --git a/processed_data/0396/0396_rtdata_canonical_success.tsv b/processed_data/0396/0396_rtdata_canonical_success.tsv new file mode 100644 index 000000000..9f1fd7796 --- /dev/null +++ b/processed_data/0396/0396_rtdata_canonical_success.tsv @@ -0,0 +1,125 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0396_00001 C9H14N4O5 0.58 C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17) RTRQQBHATOEIAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0396_00002 C10H15NO2 0.65 CC(C(C1=CC=C(C=C1)O)O)NC InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3 OXFGTKPPFSCSMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00003 C11H16N2 0.67 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0396_00004 C10H15NO2 0.92 CCNCC(C1=CC(=CC=C1)O)O InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3 SQVIAVUSQAWMKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0396_00005 C17H19NO3 1.1 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00006 C9H13NO 1.17 CC(CC1=CC=C(C=C1)O)N InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3 GIKNHHRFLCDOEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00007 C17H19NO4 1.21 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3 UQCNKQCJZOAFTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00008 C10H15NO 1.24 CC(CC1=CC=C(C=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3 SBUQZKJEOOQSBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00009 C8H19NO 1.29 CC(CCCC(C)(C)O)N InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 LREQLEBVOXIEOM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Tertiary alcohols (CHEMONTID:0001670) NA (NA) +0396_00010 C14H19N3O2 1.43 CC(C)NC1CCN2C3=C(C1O)C=CC=C3NC2=O InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19) ZSTCZWJCLIRCOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) NA (NA) NA (NA) NA (NA) +0396_00011 C12H19NO3 1.44 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0396_00012 C13H21NO3 1.45 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0396_00013 C17H19NO3 1.48 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4 InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3 WVLOADHCBXTIJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00014 C12H20N2O3S 1.58 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0396_00015 C14H22N2O3 1.62 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0396_00016 C9H13NO 1.7 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00017 C4H6N4O3S2 1.78 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0396_00018 C9H9N3S 1.84 C1=CC=C(C=C1)C2=C(N=C(S2)N)N InChI=1S/C9H9N3S/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,12) UPOYFZYFGWBUKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4,5-trisubstituted thiazoles (CHEMONTID:0002637) NA (NA) +0396_00019 C10H15NO 2 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00020 C10H15NO 2 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00021 C10H14N2O 2.02 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0396_00022 C18H21NO3 2.15 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00023 C13H16N2O2 2.2 CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) ROBVIMPUHSLWNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0396_00024 C11H17NO 2.2 CC(C(C1=CC=CC=C1)O)N(C)C InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3 FMCGSUUBYTWNDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00025 C17H21NO4 2.23 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00026 C9H13N 2.37 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00027 C6H10N4 2.4 C1CCC2=NN=NN2CC1 InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 CWRVKFFCRWGWCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepines (CHEMONTID:0000069) NA (NA) NA (NA) NA (NA) +0396_00028 C18H21NO4 2.47 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00029 C10H13NO2 2.5 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0396_00030 C11H15NO 2.51 CC1C(OCCN1)C2=CC=CC=C2 InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3 OOBHFESNSZDWIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00031 C12H17NO 2.55 CC1C(OCCN1C)C2=CC=CC=C2 InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 MFOCDFTXLCYLKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00032 C10H15N 2.57 CC(CNC)C1=CC=CC=C1 InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 AUFSOOYCQYDGES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropylamines (CHEMONTID:0000187) NA (NA) NA (NA) +0396_00033 C10H15N 2.59 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00034 C16H24N2O3 2.65 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20) LWAFSWPYPHEXKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Hydroquinolines (CHEMONTID:0001715) NA (NA) NA (NA) +0396_00035 C9H8N2O2 2.7 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0396_00036 C13H19NO 2.73 CCN(CC)C(C)C(=O)C1=CC=CC=C1 InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3 XXEPPPIWZFICOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00037 C11H15NO2 2.73 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0396_00038 C14H20N2O2 2.74 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0396_00039 C11H17N 2.76 CC(CC1=CC=CC=C1)N(C)C InChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 OBDSVYOSYSKVMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00040 C12H16N2 2.77 CC(CC1=CC=CC=C1)NCCC#N InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3 IQUFSXIQAFPIMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00041 C17H27NO4 2.81 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3 VWPOSFSPZNDTMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0396_00042 C7H17N 2.87 CCC(C)CC(C)N InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3 YAHRDLICUYEDAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0396_00043 C10H15N 2.91 CC(C)(CC1=CC=CC=C1)N InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3 DHHVAGZRUROJKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00044 C12H11N7 3 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0396_00045 C21H22N2O2 3.01 C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2 QMGVPVSNSZLJIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0396_00046 C11H17N 3.14 CC(C)(CC1=CC=CC=C1)NC InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3 RXQCGGRTAILOIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00047 C7H17N 3.17 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0396_00048 C10H15N 3.25 CC1=CC=CC=C1CC(C)N InChI=1S/C10H15N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZEMQBDFHXOOXLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00049 C13H17NO2 3.25 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0396_00050 C11H17NO 3.3 CC(CC1=CC=CC=C1OC)NC InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 OEHAYUOVELTAPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00051 C16H19NO4 3.31 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0396_00052 C13H17N 3.38 CC(CC1=CC=CC=C1)N(C)CC#C InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3 MEZLKOACVSPNER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00053 C10H15N 3.45 CC1=CC=C(C=C1)CC(C)N InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZDHZDWSHLNBTEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00054 C9H19N 3.6 CC(CCC=C(C)C)NC InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 XVQUOJBERHHONY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0396_00055 C13H24N4O3S 3.62 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0396_00056 C18H28N2O4 3.71 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00057 C15H25NO3 3.81 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0396_00058 C12H14N2O2 3.86 C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15) LYONXVJRBWWGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Phenylpyrrolidines (CHEMONTID:0002336) NA (NA) NA (NA) +0396_00059 C14H19NO2 3.9 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DUGOZIWVEXMGBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0396_00060 C19H24N2O4 3.94 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) BPZSYCZIITTYBL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00061 C17H25NO3 4 CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3 IXHBTMCLRNMKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0396_00062 C18H23N5O2 4.01 CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 NMCHYWGKBADVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0396_00063 C16H25NO4 4.31 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 AQNDDEOPVVGCPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00064 C10H21N 4.4 CC(CC1CCCCC1)NC InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 JCRIVQIOJSSCQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0396_00065 C15H21NO2 4.43 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0396_00066 C20H33N3O4 4.46 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00067 C15H19NO 4.46 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3 DLGIIZAHQPTVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00068 C12H22N2O2 4.55 CCC(C(=O)N(C)C)N(CC)C(=O)C=CC InChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3 LSAMUAYPDHUBQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0396_00069 C18H29N3O5 4.59 CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 ANZXOIAKUNOVQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0396_00070 C15H23NO3 4.66 CC(C)NCC(COC1=CC=CC=C1OCC=C)O InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3 CEMAWMOMDPGJMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00071 C18H21NO 4.75 C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2 XSWHNYGMWWVAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00072 C14H16N2O3 4.76 C1=CC=C2C(=C1)C=CC=C2OCC(CC(=NO)N)O InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16) UPZVYDSBLFNMLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0396_00073 C12H17NO3 4.77 CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3 BQJODPIMMWWMFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0396_00074 C12H12N2O2 4.84 C1CC1N=C2NC(=O)C(O2)C3=CC=CC=C3 InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15) DNRKTAYPGADPGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0396_00075 C15H21N 4.97 CCNC1C2CCC(C2)C1C3=CC=CC=C3 InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3 IKFBPFGUINLYQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0396_00076 C18H31NO4 5.03 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0396_00077 C19H27NO 5.07 CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3 VOKSWYLNZZRQPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) 6,7-benzomorphans (CHEMONTID:0004131) 2,6-dimethyl-3-benzazocines (CHEMONTID:0004823) NA (NA) NA (NA) +0396_00078 C15H23N 5.09 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00079 C19H24N2O3 5.1 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0396_00080 C17H21N 5.59 CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3 YXKTVDFXDRQTKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00081 C17H27NO4 5.62 CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 BQIPXWYNLPYNHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0396_00082 C15H15NO3S 5.7 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NO InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17) CGNMLOKEMNBUAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00083 C16H21NO2 5.78 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0396_00084 C13H24N2O2 5.92 CCCN(C(CC)C(=O)N(C)C)C(=O)C=CC InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3 CYZWCBZIBJLKCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0396_00085 C15H23NO2 5.93 CC(C)NCC(COC1=CC=CC=C1CC=C)O InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 PAZJSJFMUHDSTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00086 C15H15NO2S 6.01 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17) YFGHCGITMMYXAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00087 C22H28N2O 6.01 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0396_00088 C16H20N4O3S 6.02 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0396_00089 C18H29NO3 6.11 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0396_00090 C21H26O5 6.12 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00091 C21H28O5 6.15 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00092 C21H30O5 6.23 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00093 C21H28O5 6.31 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00094 C24H31N3O 6.48 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0396_00095 C29H41NO4 6.55 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3 RMRJXGBAOAMLHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00096 C19H24O3 6.56 CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3 BPEWUONYVDABNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) NA (NA) NA (NA) NA (NA) +0396_00097 C28H27NO4S 6.58 C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 GZUITABIAKMVPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00098 C15H14O3S 6.69 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17) QARQPIWTMBRJFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00099 C21H32N2O2 6.7 CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4)NNC5=O)C InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24) SWPAIUOYLTYQKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0396_00100 C21H32N2O2 6.7 CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4O)NN=C5)C InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23) OCUSYXNRARMJHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0396_00101 C24H30O6 6.75 CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3 JUKPWJGBANNWMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0396_00102 C22H30O5 6.78 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00103 C24H26N2O4 6.81 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 OGHNVEJMJSYVRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0396_00104 C17H19N5 6.91 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00105 C23H28N2O3 6.95 CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3 InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3 UUOJIACWOAYWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0396_00106 C25H32N2O2 6.97 CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3 INUNXTSAACVKJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00107 C24H32O6 6.98 CC12CC(C3C(C1CC4C2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=CC35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3 WBGKWQHBNHJJPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00108 C21H27NO 7.03 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00109 C19H24O2 7.12 CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3 CCCIJQPRIXGQOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00110 C25H37NO4 7.12 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0396_00111 C23H29NO3 7.17 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3 BAQKJENAVQLANS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00112 C25H31NO6 7.2 CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3 FBHSPRKOSMHSIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0396_00113 C18H18N4O2 7.25 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(NC3=CC=CC=C3)[O-] InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23) OWFUPROYPKGHMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00114 C25H34O6 7.46 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3 VOVIALXJUBGFJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00115 C21H24O2 7.47 CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3 BJJXHLWLUDYTGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00116 C17H20N2O5S 7.49 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0396_00117 C21H28O2 7.51 CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3 WZDGZWOAQTVYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0396_00118 C13H19NO4S 7.56 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0396_00119 C20H23NO4 7.59 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24) BNFRJXLZYUTIII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0396_00120 C22H28O3 7.63 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0396_00121 C26H29NO 7.76 CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3 NKANXQFJJICGDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0396_00122 C21H28O2 7.79 CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3 OXHNQTSIKGHVBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00123 C17H18N2 7.8 CC(CC1=CC=CC=C1)NC(C#N)C2=CC=CC=C2 InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3 NFHVTCJKAHYEQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00124 C22H27NO2 8.13 CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3 POZRVZJJTULAOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) diff --git a/processed_data/0396/0396_rtdata_isomeric_success.tsv b/processed_data/0396/0396_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..94dbefada --- /dev/null +++ b/processed_data/0396/0396_rtdata_isomeric_success.tsv @@ -0,0 +1,125 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0396_00001 C9H14N4O5 0.58 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1 RTRQQBHATOEIAF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) NA (NA) NA (NA) NA (NA) +0396_00002 C10H15NO2 0.65 CC(C(C1=CC=C(C=C1)O)O)NC InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3 OXFGTKPPFSCSMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00003 C11H16N2 0.67 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0396_00004 C10H15NO2 0.92 CCNCC(C1=CC(=CC=C1)O)O InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3 SQVIAVUSQAWMKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0396_00005 C17H19NO3 1.1 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00006 C9H13NO 1.17 C[C@H](CC1=CC=C(C=C1)O)N InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1 GIKNHHRFLCDOEU-SSDOTTSWSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00007 C17H19NO4 1.21 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 UQCNKQCJZOAFTQ-ISWURRPUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00008 C10H15NO 1.24 CC(CC1=CC=C(C=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3 SBUQZKJEOOQSBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00009 C8H19NO 1.29 CC(CCCC(C)(C)O)N InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 LREQLEBVOXIEOM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Tertiary alcohols (CHEMONTID:0001670) NA (NA) +0396_00010 C14H19N3O2 1.43 CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1 ZSTCZWJCLIRCOJ-DGCLKSJQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) NA (NA) NA (NA) NA (NA) +0396_00011 C12H19NO3 1.44 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0396_00012 C13H21NO3 1.45 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0396_00013 C17H19NO3 1.48 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4 InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1 WVLOADHCBXTIJK-YNHQPCIGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00014 C12H20N2O3S 1.58 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0396_00015 C14H22N2O3 1.62 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0396_00016 C9H13NO 1.7 C[C@@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1 DLNKOYKMWOXYQA-IONNQARKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00017 C4H6N4O3S2 1.78 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0396_00018 C9H9N3S 1.84 C1=CC=C(C=C1)C2=C(N=C(S2)N)N InChI=1S/C9H9N3S/c10-8-7(13-9(11)12-8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,12) UPOYFZYFGWBUKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4,5-trisubstituted thiazoles (CHEMONTID:0002637) NA (NA) +0396_00019 C10H15NO 2 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00020 C10H15NO 2 C[C@@H]([C@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 KWGRBVOPPLSCSI-WCBMZHEXSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00021 C10H14N2O 2.02 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0396_00022 C18H21NO3 2.15 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0396_00023 C13H16N2O2 2.2 CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) ROBVIMPUHSLWNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0396_00024 C11H17NO 2.2 C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1 FMCGSUUBYTWNDP-ONGXEEELSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00025 C17H21NO4 2.23 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00026 C9H13N 2.37 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00027 C6H10N4 2.4 C1CCC2=NN=NN2CC1 InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 CWRVKFFCRWGWCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepines (CHEMONTID:0000069) NA (NA) NA (NA) NA (NA) +0396_00028 C18H21NO4 2.47 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00029 C10H13NO2 2.5 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0396_00030 C11H15NO 2.51 CC1C(OCCN1)C2=CC=CC=C2 InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3 OOBHFESNSZDWIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00031 C12H17NO 2.55 C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2 InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1 MFOCDFTXLCYLKU-CMPLNLGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00032 C10H15N 2.57 CC(CNC)C1=CC=CC=C1 InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 AUFSOOYCQYDGES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropylamines (CHEMONTID:0000187) NA (NA) NA (NA) +0396_00033 C10H15N 2.59 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00034 C16H24N2O3 2.65 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20) LWAFSWPYPHEXKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Hydroquinolines (CHEMONTID:0001715) NA (NA) NA (NA) +0396_00035 C9H8N2O2 2.7 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0396_00036 C13H19NO 2.73 CCN(CC)C(C)C(=O)C1=CC=CC=C1 InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3 XXEPPPIWZFICOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00037 C11H15NO2 2.73 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0396_00038 C14H20N2O2 2.74 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0396_00039 C11H17N 2.76 CC(CC1=CC=CC=C1)N(C)C InChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 OBDSVYOSYSKVMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00040 C12H16N2 2.77 CC(CC1=CC=CC=C1)NCCC#N InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3 IQUFSXIQAFPIMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00041 C17H27NO4 2.81 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1 VWPOSFSPZNDTMJ-UCWKZMIHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0396_00042 C7H17N 2.87 CCC(C)CC(C)N InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3 YAHRDLICUYEDAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0396_00043 C10H15N 2.91 CC(C)(CC1=CC=CC=C1)N InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3 DHHVAGZRUROJKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00044 C12H11N7 3 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0396_00045 C21H22N2O2 3.01 C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0396_00046 C11H17N 3.14 CC(C)(CC1=CC=CC=C1)NC InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3 RXQCGGRTAILOIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00047 C7H17N 3.17 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0396_00048 C10H15N 3.25 CC1=CC=CC=C1CC(C)N InChI=1S/C10H15N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZEMQBDFHXOOXLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00049 C13H17NO2 3.25 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0396_00050 C11H17NO 3.3 CC(CC1=CC=CC=C1OC)NC InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 OEHAYUOVELTAPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00051 C16H19NO4 3.31 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0396_00052 C13H17N 3.38 C[C@H](CC1=CC=CC=C1)N(C)CC#C InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 MEZLKOACVSPNER-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00053 C10H15N 3.45 CC1=CC=C(C=C1)CC(C)N InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZDHZDWSHLNBTEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00054 C9H19N 3.6 CC(CCC=C(C)C)NC InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 XVQUOJBERHHONY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0396_00055 C13H24N4O3S 3.62 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 BLJRIMJGRPQVNF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0396_00056 C18H28N2O4 3.71 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00057 C15H25NO3 3.81 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0396_00058 C12H14N2O2 3.86 C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15) LYONXVJRBWWGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Phenylpyrrolidines (CHEMONTID:0002336) NA (NA) NA (NA) +0396_00059 C14H19NO2 3.9 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DUGOZIWVEXMGBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0396_00060 C19H24N2O4 3.94 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) BPZSYCZIITTYBL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00061 C17H25NO3 4 CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3 IXHBTMCLRNMKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0396_00062 C18H23N5O2 4.01 CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 NMCHYWGKBADVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0396_00063 C16H25NO4 4.31 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 AQNDDEOPVVGCPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00064 C10H21N 4.4 CC(CC1CCCCC1)NC InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 JCRIVQIOJSSCQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0396_00065 C15H21NO2 4.43 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0396_00066 C20H33N3O4 4.46 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00067 C15H19NO 4.46 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3 DLGIIZAHQPTVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00068 C12H22N2O2 4.55 CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C InChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+ LSAMUAYPDHUBQD-RMKNXTFCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0396_00069 C18H29N3O5 4.59 CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 ANZXOIAKUNOVQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0396_00070 C15H23NO3 4.66 CC(C)NCC(COC1=CC=CC=C1OCC=C)O InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3 CEMAWMOMDPGJMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00071 C18H21NO 4.75 C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O InChI=1S/C18H21NO/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17,19-20H,7-8,13-14H2 XSWHNYGMWWVAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00072 C14H16N2O3 4.76 C1=CC=C2C(=C1)C=CC=C2OCC(C/C(=N\O)/N)O InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16) UPZVYDSBLFNMLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0396_00073 C12H17NO3 4.77 CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3 BQJODPIMMWWMFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0396_00074 C12H12N2O2 4.84 C1CC1N=C2NC(=O)C(O2)C3=CC=CC=C3 InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15) DNRKTAYPGADPGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0396_00075 C15H21N 4.97 CCNC1C2CCC(C2)C1C3=CC=CC=C3 InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3 IKFBPFGUINLYQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0396_00076 C18H31NO4 5.03 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0396_00077 C19H27NO 5.07 C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 VOKSWYLNZZRQPF-GDIGMMSISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) 6,7-benzomorphans (CHEMONTID:0004131) 2,6-dimethyl-3-benzazocines (CHEMONTID:0004823) NA (NA) NA (NA) +0396_00078 C15H23N 5.09 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00079 C19H24N2O3 5.1 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0396_00080 C17H21N 5.59 C[C@@H](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1 YXKTVDFXDRQTKV-HNNXBMFYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00081 C17H27NO4 5.62 CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 BQIPXWYNLPYNHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0396_00082 C15H15NO3S 5.7 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NO InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17) CGNMLOKEMNBUAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00083 C16H21NO2 5.78 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0396_00084 C13H24N2O2 5.92 CCCN(C(CC)C(=O)N(C)C)C(=O)/C=C/C InChI=1S/C13H24N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5/h6,9,11H,7-8,10H2,1-5H3/b9-6+ CYZWCBZIBJLKCV-RMKNXTFCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0396_00085 C15H23NO2 5.93 CC(C)NCC(COC1=CC=CC=C1CC=C)O InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 PAZJSJFMUHDSTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0396_00086 C15H15NO2S 6.01 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17) YFGHCGITMMYXAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00087 C22H28N2O 6.01 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0396_00088 C16H20N4O3S 6.02 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0396_00089 C18H29NO3 6.11 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0396_00090 C21H26O5 6.12 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 XOFYZVNMUHMLCC-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00091 C21H28O5 6.15 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 OIGNJSKKLXVSLS-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00092 C21H30O5 6.23 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00093 C21H28O5 6.31 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00094 C24H31N3O 6.48 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0396_00095 C29H41NO4 6.55 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 RMRJXGBAOAMLHD-IHFGGWKQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0396_00096 C19H24O3 6.56 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1 BPEWUONYVDABNZ-DZBHQSCQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) NA (NA) NA (NA) NA (NA) +0396_00097 C28H27NO4S 6.58 C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 GZUITABIAKMVPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0396_00098 C15H14O3S 6.69 C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17) QARQPIWTMBRJFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00099 C21H32N2O2 6.7 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1 SWPAIUOYLTYQKK-YEZTZDHTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0396_00100 C21H32N2O2 6.7 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C([C@@H]4O)NN=C5)C InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1 OCUSYXNRARMJHS-SUVJOWDWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0396_00101 C24H30O6 6.75 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1 JUKPWJGBANNWMW-VWBFHTRKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0396_00102 C22H30O5 6.78 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-PJHHCJLFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00103 C24H26N2O4 6.81 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 OGHNVEJMJSYVRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0396_00104 C17H19N5 6.91 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0396_00105 C23H28N2O3 6.95 CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3 InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3 UUOJIACWOAYWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0396_00106 C25H32N2O2 6.97 C[C@H](CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1 INUNXTSAACVKJS-OAQYLSRUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00107 C24H32O6 6.98 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1 WBGKWQHBNHJJPZ-LECWWXJVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00108 C21H27NO 7.03 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0396_00109 C19H24O2 7.12 C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 CCCIJQPRIXGQOE-XWSJACJDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00110 C25H37NO4 7.12 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0396_00111 C23H29NO3 7.17 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3 BAQKJENAVQLANS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0396_00112 C25H31NO6 7.2 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1 FBHSPRKOSMHSIF-GRMWVWQJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0396_00113 C18H18N4O2 7.25 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(NC3=CC=CC=C3)[O-] InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23) OWFUPROYPKGHMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00114 C25H34O6 7.46 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1 VOVIALXJUBGFJZ-KWVAZRHASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0396_00115 C21H24O2 7.47 CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 BJJXHLWLUDYTGC-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00116 C17H20N2O5S 7.49 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0396_00117 C21H28O2 7.51 C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1 WZDGZWOAQTVYBX-XOINTXKNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0396_00118 C13H19NO4S 7.56 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0396_00119 C20H23NO4 7.59 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24) BNFRJXLZYUTIII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0396_00120 C22H28O3 7.63 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0396_00121 C26H29NO 7.76 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- NKANXQFJJICGDU-QPLCGJKRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0396_00122 C21H28O2 7.79 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1 OXHNQTSIKGHVBH-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0396_00123 C17H18N2 7.8 CC(CC1=CC=CC=C1)NC(C#N)C2=CC=CC=C2 InChI=1S/C17H18N2/c1-14(12-15-8-4-2-5-9-15)19-17(13-18)16-10-6-3-7-11-16/h2-11,14,17,19H,12H2,1H3 NFHVTCJKAHYEQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0396_00124 C22H27NO2 8.13 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 POZRVZJJTULAOH-LHZXLZLDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) diff --git a/processed_data/0396/0396_validation_qspr_outliers.tsv b/processed_data/0396/0396_validation_qspr_outliers.tsv new file mode 100644 index 000000000..cd354bc5f --- /dev/null +++ b/processed_data/0396/0396_validation_qspr_outliers.tsv @@ -0,0 +1,7 @@ +id error +0396_00040 2.2609342202720826 +0396_00073 2.2203102228539366 +0396_00074 2.3908082984934547 +0396_00104 2.0195386633166637 +0396_00118 2.6041174718261386 +0396_00123 2.0518394851079043 diff --git a/processed_data/0397/0397_descriptors_canonical_success.tsv b/processed_data/0397/0397_descriptors_canonical_success.tsv new file mode 100644 index 000000000..73b225451 --- /dev/null +++ b/processed_data/0397/0397_descriptors_canonical_success.tsv @@ -0,0 +1,256 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0397_00001 11.996320019092286 15.999284964244694 -0.3827736903645793 0.2907355553655482 4.08644584778067 8.073570543798665 0 0.348 154.12041551074833 0 1 1.79 11 7 11 0 17 0 0 -0.15820000000000023 0.025027240000000072 40.166 1 1 1 1 1 0 0 0 1 0 0 0 0.5048478353591319 52 152 14 21.235187334831878 1.9304715758938071 9.827162707760868 9.827162707760868 0 4.459431618637298 77.76 1 0.5 0 0 0 0 1.6509636244473134 7.065551058002885 0 2.94168275343288 0 0 1.4324702914936969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.090909090909092 3.6 2.2145328719723185 0 179.04 0.5454545454545454 99 8.430721420318147 5.109060905280622 4.771716889212703 3.58154729623793 2.1946853774700132 1.7440546736666023 0.9780956548790778 0.33628733311876546 5.481939884532615 2.862978410194454 2.0086460883926556 1.2223646204607133 0.6564678813650243 0.3951994930814776 0.1417961525621847 0.0333607623707554 2.1263013134660467 2.0206844343301853 2.72215032854568 0.41558559427794084 0.35757970395576355 0.34874566572300736 0.9714045207910318 0 0.3333333333333333 0 0.2580763246656777 0 0.03188118215292128 0 0 0 0 0.06804138174397717 0.17536647355387364 0 0 0 0.024056261216234408 0.03354470475371396 0 0 1 5 1 0 0 0 0 451.56490573217786 502.7412397905276 647.6509839055177 548.308409867676 274.0609530751953 14.097876142163784 12.328367908530256 17.76702089833633 17.43120485260146 10.324643839927953 0.31877694323808775 -0.12902323921507158 -0.022970866005251236 0.06474561739597295 -0.09969574894287873 3 4 7.517242 19.528757999999993 +0397_00002 11.99618634496594 16.003480075690117 -0.3933669069486623 0.2910904723390732 4.255483977494777 9.323000098393818 0.4 -0.925 340.28273486115705 0 3 2.12 13 13 26 0 40 0 0 -2.0794000000000006 4.323904360000002 81.58480000000002 0 3 2 2 1 0 0 0 3 0 0 0 0.42904682311281256 128 1339 42 48.54388701472638 2.0226619589469323 24.46622201682188 24.46622201682188 0 5.700439718141093 145.91000000000003 1 0.5 0 0 0 0 2.6211775896548786 14.067180232375891 0 13.071532110614788 0 0 2.3617647143858336 3.757655730427068 0.727928250960776 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 5 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18.781065088757398 7.7091412742382275 3.9077277970011535 0.4 1212.09 0.7083333333333334 474 17.430356941388645 11.401085903164898 10.624314007465172 9.368017409698263 7.173888341236127 5.955717789946682 4.1610738257886855 2.6852913385561963 12.272320343248426 7.145000359821982 5.427317688903971 3.7924729461818387 2.468053599420195 1.6641066303177694 0.8806449943309869 0.45446366253127 4.9348066625382385 7.120815652846763 10.63386756655168 1.4034042432458202 1.6676342660924224 1.96126026002998 1.9350609975132882 0 0.6158567754831888 0 0.7238261985680047 0 0.11849039747738756 0 0 0 0 0.16895785846218417 0.537905905760141 0 0 0 0.06403281881327383 0.12928833404425827 0 0 1 7 1 2 4 0 0 1325.7663372291308 1574.9798089502758 2247.8671949470304 2328.0087872874615 1838.4905664739583 30.970221319868514 29.98510372559077 45.858685636600605 53.731030814305335 43.517908788958316 1.019923709542997 -0.37197375112487086 -0.2497115783497676 0.11357153045434694 -0.09520725575913591 5 9 24.197312000000004 44.286687999999984 +0397_00003 11.996186357611723 16.00165515675966 -0.4132611542761943 0.13260800306303402 5.000686187216064 9.999017578574751 0.2 0.9319999999999997 306.26804349836675 1 1 2.34 9 11 24 0 36 0 0 -1.2407000000000001 1.5393364900000004 82.5607 0 3 2 2 2 0 0 0 3 0 0 0 0.42672693563922026 120 1005 39 44.53256061678637 2.024207300763017 18.396021193351594 18.396021193351594 0 5.584962500721157 130.61 1 0.5 0 0 0 0 2.601022702043388 16.970177874448087 0 14.086413318443276 0 0 2.40641864983632 1.3654081820365347 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 2 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16.84375 6.481481481481482 3.298611111111111 0.2 982.07 0.7272727272727273 370 16.016143379015546 10.363081100704113 10.13550610287653 8.515144899300413 6.991789411131208 5.53346542606298 4.0825221036657 2.79228573623918 11.262738259787916 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khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 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0.08333333333333333 0.39870475419801454 1.162493051447284 0 0 1 0 1 7 11 5 5 3446.049489726949 4414.630606407765 7423.3768091854845 8674.171237058712 7785.1135982429005 31.774469035540946 35.33209197713256 61.66418395426513 77.32836790853025 71.66418395426513 0.07821383567781591 -0.025745550880694072 -0.011474706347425163 -0.0018600901907077608 -2.563609573356525e-5 1 1 54.66034999999999 86.94164999999997 diff --git a/processed_data/0397/0397_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0397/0397_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..c6001ba27 --- /dev/null +++ b/processed_data/0397/0397_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,256 @@ +id bits.on +0397_00001 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0397_00002 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0397_00003 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019 +0397_00004 11,20,23,26,39,69,89,92,134,147,151,153,188,191,211,219,226,285,328,347,353,369,396,397,411,421,442,461,473,508,515,518,536,544,555,562,592,605,626,640,648,727,732,752,791,855,883,893,897,934,936,959,968,974,979,1011 +0397_00005 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0397_00006 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0397_00007 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0397_00008 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0397_00009 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0397_00010 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0397_00011 15,26,53,58,73,89,104,134,153,162,165,170,220,222,230,239,240,245,260,298,311,326,327,330,344,346,347,369,396,433,435,461,469,471,481,508,514,546,562,626,651,656,660,662,667,677,692,694,701,716,719,787,791,804,850,855,858,912,928,936,946,950,968,973,974,977,1012,1022 +0397_00012 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,540,550,552,570,586,623,626,640,676,678,701,719,728,732,750,759,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0397_00013 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0397_00014 4,42,71,73,89,134,153,170,192,220,245,261,274,301,311,316,326,327,328,330,346,347,369,400,435,452,461,473,483,508,515,544,549,562,566,568,597,624,625,626,640,653,657,660,705,719,724,744,748,778,787,791,796,810,856,877,928,936,948,968,974,997,1020 +0397_00015 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0397_00016 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0397_00017 20,29,94,134,153,203,268,270,334,432,455,480,487,508,515,522,550,586,588,626,640,674,676,727,781,792,822,857,968 +0397_00018 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0397_00019 5,15,20,62,89,96,101,134,144,145,153,156,162,175,185,196,199,270,296,323,341,347,355,401,415,421,481,487,503,508,524,531,544,545,550,588,597,629,640,648,687,720,725,726,727,737,753,772,777,784,864,879,915,948,968,977,1014 +0397_00020 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0397_00021 15,26,38,72,89,134,163,177,197,229,245,334,395,461,462,499,508,584,618,748,772,778,864,877,948,974 +0397_00022 15,49,50,58,73,89,104,110,126,134,153,170,177,230,238,240,245,250,254,260,274,296,311,326,327,330,346,347,364,369,379,435,461,471,508,544,562,626,641,651,656,660,667,672,682,685,719,787,791,804,833,850,865,902,936,946,950,968,974,977,982,998,1012,1018 +0397_00023 2,5,15,20,42,58,73,85,89,121,134,151,153,170,230,240,260,300,303,311,323,326,327,330,339,346,347,369,382,435,439,461,471,508,526,549,562,626,639,651,660,667,669,698,716,719,727,758,759,780,787,791,804,833,836,840,864,869,923,936,948,950,964,968,974,977,1015 +0397_00024 15,18,26,39,74,89,106,128,134,197,218,245,255,260,273,310,340,347,365,372,379,400,453,461,471,499,508,534,549,566,570,584,624,626,634,652,654,656,745,769,783,789,819,855,906,919,936,948,964,972,981,1000,1006,1012 +0397_00025 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9,15,26,35,66,71,89,108,117,122,134,139,146,153,170,180,184,208,209,210,215,222,238,245,260,288,296,311,320,326,336,347,350,418,420,433,435,440,453,461,472,477,485,488,492,495,499,508,513,517,524,536,538,555,562,567,568,569,603,610,626,642,651,689,694,695,719,722,727,734,769,772,804,819,824,836,840,855,863,878,893,903,915,932,936,948,964,968,974,999,1012,1014,1020 +0397_00029 4,31,42,134,192,245,274,301,328,347,351,369,388,400,452,459,461,508,515,544,549,566,568,626,638,640,657,705,717,748,778,796,856,928,948,968,997,1014,1020 +0397_00030 9,15,41,73,89,92,134,139,153,158,168,170,174,193,200,220,223,245,254,311,326,327,328,330,335,346,347,369,374,381,435,438,446,449,461,473,499,508,513,515,550,554,562,570,573,587,597,617,619,620,626,640,660,676,681,683,705,711,719,724,733,748,780,783,787,790,791,792,860,894,899,905,921,936,941,947,968,974,978,992,1016 +0397_00031 9,15,30,54,73,89,92,134,153,158,159,167,168,223,226,245,284,295,311,326,327,328,330,335,353,359,361,369,374,381,384,438,446,461,476,508,513,515,550,554,562,569,570,573,587,617,626,640,683,711,719,748,772,783,791,816,836,860,889,894,899,921,936,941,968,970,974,978,992,1004 +0397_00032 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0397_00033 4,36,134,201,226,278,347,349,353,437,508,515,549,550,626,640,666,685,688,705,712,731,778,825,850,858,931,948,968,990,999 +0397_00034 9,15,30,34,73,89,95,134,153,158,159,167,170,193,220,223,226,245,252,311,326,327,328,330,335,346,347,353,359,361,369,381,435,438,446,461,473,476,508,510,513,515,550,554,562,570,573,597,626,640,660,683,705,711,719,724,748,772,787,790,791,792,795,836,899,905,936,965,968,970,974,978,1014 +0397_00035 15,21,35,89,110,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,330,335,336,347,350,353,369,392,395,399,419,435,438,442,461,464,473,486,499,500,508,512,515,547,550,555,562,579,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,734,741,748,753,780,785,787,791,793,798,816,827,863,872,918,936,947,948,968,974,994,996 +0397_00036 11,21,30,42,54,73,77,89,92,93,134,153,159,166,223,226,245,279,311,326,327,330,335,353,359,361,369,374,381,446,461,476,508,513,515,550,562,570,573,586,587,601,613,617,626,640,661,683,719,748,752,783,789,791,823,836,853,860,899,921,936,941,950,968,970,974,978,992,1013 +0397_00037 4,5,15,16,17,21,89,118,134,153,158,170,195,220,226,242,245,269,330,335,336,347,350,353,361,369,372,381,399,419,435,438,461,473,476,486,500,506,508,515,529,547,550,555,562,588,591,626,640,648,660,661,676,683,711,712,719,724,748,750,753,759,782,785,787,791,798,811,813,816,827,836,872,887,918,935,936,947,968,970,973,974,993,994,996,1006 +0397_00038 9,15,17,30,35,73,89,97,112,134,153,159,170,220,223,226,245,305,311,326,327,330,335,346,347,353,359,361,369,381,435,438,446,461,470,473,476,508,513,514,515,550,554,562,570,573,597,626,640,660,676,683,705,719,724,728,748,759,772,787,790,791,836,861,866,899,905,935,936,965,968,970,974,978 +0397_00039 20,23,134,151,153,211,219,298,328,347,353,396,442,505,508,515,544,592,626,640,648,663,727,736,752,878,897,948,968,994,1011 +0397_00040 4,14,15,54,134,192,193,201,206,245,247,252,274,303,311,347,353,400,452,461,508,515,544,549,566,568,626,640,655,705,743,748,778,839,845,948,958,968,1001,1016 +0397_00041 4,36,133,134,238,278,284,328,347,349,441,508,515,549,586,626,640,705,778,825,850,856,931,948,968,1004 +0397_00042 20,21,52,73,89,118,119,134,138,151,153,170,178,180,213,219,230,237,239,240,250,260,284,310,311,318,326,327,330,346,347,358,369,394,414,435,461,471,477,502,508,522,536,537,544,550,556,562,620,626,634,635,640,651,657,660,665,667,676,719,725,727,733,748,751,767,787,791,804,814,877,897,932,936,947,966,968,974 +0397_00043 15,29,54,57,74,134,192,245,274,400,452,461,479,508,515,534,544,550,561,566,568,592,626,640,676,743,748,759,835,839,927,947,964,968,1001 +0397_00044 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +0397_00045 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0397_00046 11,35,42,54,73,77,89,92,93,134,153,166,170,210,215,220,223,245,260,279,296,311,320,326,327,330,335,347,353,369,374,435,446,460,461,464,473,508,513,515,550,562,570,573,586,587,601,613,617,619,626,628,640,661,683,719,724,727,741,748,752,783,789,791,812,823,853,860,863,899,902,921,927,936,941,948,950,968,974,978,992,1013,1016 +0397_00047 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0397_00048 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0397_00049 15,16,17,26,35,89,93,95,105,134,170,210,215,220,245,260,263,283,311,320,326,328,335,347,353,358,379,387,435,438,459,461,464,473,500,508,515,529,562,602,626,640,641,661,676,683,705,707,719,724,727,748,750,752,759,795,797,798,807,827,835,863,905,918,922,935,936,947,948,963,968,970,974,1006,1007 +0397_00050 15,35,44,73,89,110,128,129,134,153,170,200,206,210,215,220,226,245,260,264,282,299,311,316,320,334,336,347,353,362,369,381,392,399,405,435,444,461,473,476,486,503,504,508,512,515,534,540,547,550,555,562,575,579,624,626,628,636,637,640,657,660,661,683,701,719,724,727,734,785,787,791,793,796,816,844,863,882,904,936,948,962,968,974,994,1023 +0397_00051 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0397_00052 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0397_00053 20,26,45,60,73,89,93,119,120,134,138,139,151,153,165,170,200,201,212,216,230,239,240,245,260,279,282,303,310,311,318,326,327,330,346,347,369,394,396,435,442,461,467,471,508,511,517,525,550,556,562,568,620,626,631,635,640,651,660,667,676,719,727,733,758,762,787,791,804,829,848,877,897,917,936,947,953,966,968,974,992,1006 +0397_00054 11,42,54,73,77,89,92,93,134,139,153,166,223,245,279,311,326,327,330,335,353,369,374,446,460,461,499,508,513,515,550,562,570,573,586,587,601,613,617,619,620,626,640,661,676,683,719,733,748,752,783,789,791,823,853,860,899,921,936,941,947,950,968,974,978,992,1013,1016 +0397_00055 20,42,73,84,89,94,134,153,154,169,170,211,220,224,228,245,266,311,317,326,327,330,346,347,353,362,369,390,405,408,435,456,458,461,473,487,493,508,515,550,562,597,626,640,660,661,681,683,705,719,724,727,732,735,748,781,787,790,791,827,831,847,884,897,905,908,933,934,936,942,954,968,974,980,1022 +0397_00056 20,42,44,51,73,89,94,123,134,153,169,170,176,211,220,245,258,272,311,326,327,330,346,347,353,369,408,412,418,435,456,458,461,470,473,480,487,508,515,550,562,575,591,597,626,640,654,660,661,667,675,683,697,705,719,724,727,748,768,781,787,790,791,827,853,873,897,905,933,936,968,974,1022 +0397_00057 15,26,73,89,93,128,134,153,170,195,220,226,245,260,269,299,311,316,326,327,330,335,346,347,353,361,369,379,381,435,438,442,461,473,476,486,500,508,515,527,550,562,597,626,628,640,660,661,683,687,697,701,719,724,748,753,787,791,793,797,798,811,827,835,882,918,922,936,968,970,974,1007 +0397_00058 15,17,57,73,80,89,100,107,129,134,192,226,245,321,334,353,369,381,444,461,476,493,503,508,515,529,534,550,573,596,601,604,626,640,661,670,676,683,735,750,759,783,831,837,849,936,947,950,968,998,1022 +0397_00059 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0397_00060 4,42,74,134,190,192,245,274,289,328,347,400,437,452,459,461,465,466,508,544,549,550,566,568,585,626,640,657,690,705,709,717,748,778,867,948,968,997,1013 +0397_00061 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0397_00062 8,9,15,20,30,89,94,128,134,159,170,220,223,226,243,245,260,263,299,316,335,347,353,359,361,363,369,381,425,435,438,446,461,469,473,476,486,508,513,515,550,554,562,570,573,626,628,635,640,661,677,683,687,701,713,719,724,727,736,748,772,790,793,827,836,872,899,936,968,970,974,978,995,1006,1017 +0397_00063 9,15,30,73,89,128,134,153,159,170,220,223,226,243,245,260,299,311,316,326,327,330,335,346,347,353,359,361,369,381,435,438,446,461,469,473,476,486,508,513,515,550,554,562,570,573,597,626,628,640,660,661,683,687,701,719,724,736,748,772,787,791,793,827,836,882,899,936,968,970,974,978,1017 +0397_00064 4,20,26,45,60,73,89,119,120,134,139,151,153,163,165,170,200,201,212,216,226,230,239,240,245,260,279,282,303,310,311,318,326,327,330,346,347,353,369,396,435,442,461,467,471,481,484,486,508,511,515,517,525,549,550,556,562,626,631,635,640,651,660,666,667,705,719,727,758,762,778,787,791,800,804,829,848,858,877,897,908,917,936,948,953,968,974,992,1001,1006,1023 +0397_00065 20,21,32,35,73,89,111,133,134,136,141,144,145,147,148,153,170,210,215,226,227,260,262,270,281,304,311,320,326,330,337,347,353,360,369,371,381,392,428,430,435,461,462,466,467,476,477,508,515,550,551,561,562,579,598,599,601,608,626,640,645,651,678,711,712,717,719,727,735,737,740,762,768,785,786,787,790,791,804,825,850,863,913,936,939,948,968,974,994,1000,1017 +0397_00066 15,67,95,96,119,134,150,245,267,272,385,434,446,452,461,467,487,508,550,553,642,654,658,714,717,732,779,867,899,931,968 +0397_00067 15,38,40,89,131,134,137,138,144,153,158,245,277,291,310,312,315,326,338,347,362,373,376,410,420,437,438,461,469,483,508,511,513,515,534,540,549,570,578,584,596,626,627,646,683,744,748,778,798,828,878,899,907,941,942,948,968,977 +0397_00068 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006 +0397_00069 9,15,35,89,110,128,134,139,153,170,200,210,215,220,223,243,245,260,299,311,316,320,335,336,347,353,369,392,399,435,438,446,461,469,473,486,499,508,512,513,515,547,550,554,555,562,570,573,579,619,620,626,628,640,660,661,676,683,687,701,719,724,727,733,734,736,748,785,787,791,793,816,827,863,882,899,936,947,948,968,974,978,994,1016,1017 +0397_00070 15,16,17,21,73,89,118,134,153,170,195,219,220,245,311,326,327,330,335,346,347,350,353,369,395,419,435,438,461,473,499,500,508,515,529,550,562,597,620,626,640,648,660,661,676,683,719,724,733,748,750,753,759,780,787,791,798,827,872,918,935,936,947,968,974,996,1006 +0397_00071 4,60,129,134,148,201,226,278,304,347,353,362,508,514,515,549,550,578,626,627,640,666,705,712,735,764,778,825,850,858,881,931,948,968,990,999 +0397_00072 4,17,21,26,73,79,89,122,134,148,151,153,160,170,197,212,220,260,295,299,303,304,311,326,327,330,346,347,353,369,383,405,435,461,473,486,515,549,550,562,597,602,618,626,628,640,650,660,676,705,709,712,719,724,778,787,791,792,804,813,825,850,869,870,882,936,948,968,974,1005 +0397_00073 20,42,73,84,89,94,134,153,154,169,170,211,220,224,228,245,266,311,317,326,327,330,346,347,353,362,369,390,405,408,435,456,458,461,473,487,493,508,515,550,562,597,626,640,660,661,681,683,705,719,724,727,732,735,748,781,787,790,791,827,831,847,884,897,905,908,933,934,936,942,954,968,974,980,1022 +0397_00074 15,16,17,21,35,89,134,170,195,210,215,220,226,245,260,269,311,320,330,335,347,350,353,361,369,381,419,435,438,461,464,473,476,481,500,508,515,529,550,562,588,591,626,640,648,661,676,683,719,724,727,748,750,753,759,798,811,827,863,872,918,935,936,947,948,968,970,974,996,1006 +0397_00075 9,15,26,79,89,126,128,134,139,153,154,173,196,200,220,223,243,245,260,277,311,316,326,327,330,335,346,347,353,369,400,435,438,446,447,461,467,469,486,499,508,513,515,523,538,550,554,570,573,608,619,620,626,628,634,640,661,676,681,683,687,701,719,733,734,736,748,754,770,782,783,787,791,793,827,855,875,882,883,899,936,947,968,974,978,982,1000,1016,1017 +0397_00076 15,16,17,21,35,89,110,118,134,153,170,195,210,215,219,220,245,260,311,320,330,335,336,347,350,353,369,392,395,399,419,435,438,461,473,486,499,500,508,512,515,529,547,550,555,562,579,620,626,640,648,660,661,676,683,719,724,727,733,734,748,750,753,759,780,785,787,791,798,816,827,863,872,918,935,936,947,948,968,974,994,996,1006 +0397_00077 15,26,73,89,93,98,128,134,153,170,220,245,260,299,311,316,326,327,330,335,346,347,350,353,369,379,435,438,442,459,461,473,486,499,500,508,515,550,562,597,620,626,628,640,660,661,676,683,687,697,701,719,724,733,748,780,787,791,793,797,798,827,835,882,918,922,936,947,968,974,1007 +0397_00078 15,16,17,26,73,89,93,131,134,138,144,153,170,220,245,303,311,326,327,330,335,346,347,353,369,379,435,438,461,472,473,500,505,508,514,515,527,529,550,562,597,626,640,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,797,798,811,827,835,905,918,922,935,936,947,968,970,974,1006,1007 +0397_00079 4,10,20,94,96,112,134,145,177,222,252,283,304,353,469,487,500,508,509,510,550,551,626,640,675,689,727,850,968,991,992 +0397_00080 9,15,73,89,128,134,139,153,170,200,220,223,243,245,260,299,311,316,326,327,330,335,346,347,353,369,435,438,446,461,469,473,486,499,508,513,515,550,554,562,570,573,597,619,620,626,628,640,660,661,676,683,687,701,719,724,733,736,748,787,791,793,827,882,899,936,947,968,974,978,1016,1017 +0397_00081 15,29,54,75,112,134,220,245,285,342,442,461,478,508,513,515,550,568,574,604,626,640,649,654,676,733,748,756,759,774,843,920,927,947,948,968,1001 +0397_00082 4,9,15,30,35,89,98,110,128,134,153,170,197,210,215,220,223,243,245,260,299,303,311,316,320,335,336,347,353,359,369,385,392,399,435,438,446,461,469,473,486,508,512,513,515,547,549,550,554,555,562,570,573,579,618,626,628,640,660,661,683,687,701,705,709,719,724,727,734,736,748,772,778,783,785,787,791,793,816,827,863,882,899,936,948,968,970,974,978,994,1017 +0397_00083 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0397_00084 4,15,35,44,73,89,110,128,129,134,153,170,192,197,200,206,210,215,220,226,245,260,264,282,299,303,311,316,320,334,336,347,353,362,369,392,399,405,423,435,444,461,473,486,504,508,512,515,534,540,547,549,550,555,562,575,579,618,624,626,628,636,640,656,657,660,661,683,701,705,709,719,724,727,734,778,785,787,791,793,796,816,863,882,904,936,948,962,968,974,994,1023 +0397_00085 15,29,54,69,134,195,226,245,269,301,326,335,337,353,361,369,381,397,442,461,476,495,500,508,515,527,550,626,636,640,654,676,748,753,756,759,782,797,798,811,827,835,917,927,936,947,968,970 +0397_00086 15,27,82,95,96,134,150,245,272,442,461,487,508,513,550,568,585,586,626,640,647,654,714,733,748,812,814,819,820,845,968,974,1001 +0397_00087 15,54,95,96,134,150,192,205,223,245,274,392,400,452,461,487,498,508,534,544,550,566,568,670,748,758,791,964,968,975,1001 +0397_00088 4,15,35,44,73,89,126,128,129,134,153,154,170,173,192,197,200,206,210,215,220,226,245,260,264,277,282,303,311,316,320,326,327,330,334,346,347,353,362,369,400,405,423,435,444,461,467,477,486,504,508,515,534,540,549,550,562,575,608,618,624,626,628,636,640,651,656,657,661,683,701,705,709,719,727,734,754,760,770,778,787,791,793,796,804,863,883,904,936,939,948,962,968,974,1023 +0397_00089 4,15,54,134,137,151,192,193,245,274,301,347,400,452,461,508,515,544,549,566,568,674,705,719,743,748,778,839,845,893,948,958,968,1001,1016 +0397_00090 12,17,20,49,73,89,101,105,134,138,141,153,164,170,174,178,220,270,281,282,302,311,326,327,330,346,347,369,433,435,461,473,508,515,530,550,562,563,580,597,613,620,624,626,632,640,660,676,705,719,724,727,728,733,743,772,786,787,790,791,805,905,909,929,936,947,968,970,974,1020 +0397_00091 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0397_00092 42,73,84,89,129,134,153,182,201,228,243,245,270,283,310,311,326,327,330,335,347,353,362,363,369,408,410,420,429,461,463,481,487,493,508,515,518,538,550,552,555,562,600,601,626,640,661,683,706,719,774,781,786,791,799,823,827,831,884,908,936,968,974,980,1009 +0397_00093 7,20,26,27,39,60,76,80,82,89,96,110,119,134,139,141,145,153,154,165,170,201,216,230,239,260,279,293,304,310,318,326,347,357,369,399,414,421,435,442,461,471,479,487,491,508,511,517,544,550,551,555,556,562,599,626,651,660,667,717,719,726,727,737,741,785,787,791,804,825,829,848,850,855,857,877,911,920,936,947,951,953,968,974,1006,1010,1011 +0397_00094 4,9,91,134,153,175,201,207,226,270,281,326,347,353,363,408,515,549,550,576,626,640,666,690,705,706,717,764,778,808,816,823,858,948,968,989,1008 +0397_00095 15,16,17,18,26,29,93,134,245,297,326,330,353,388,438,461,486,500,508,515,529,550,587,626,640,654,661,665,676,683,743,748,750,756,759,797,798,827,882,918,922,935,947,968,1005,1006 +0397_00096 5,15,26,32,54,58,87,89,125,134,193,195,245,260,269,316,318,325,355,451,452,461,488,490,499,508,534,593,598,600,626,636,656,671,716,734,771,814,818,833,857,883,936,948,954,964,968,971,980,983,1018 +0397_00097 42,73,84,89,129,134,153,182,201,228,243,245,270,283,310,311,326,327,330,335,347,353,362,363,369,408,410,420,429,461,463,481,487,493,508,515,518,538,550,552,555,562,600,601,626,640,661,683,706,719,774,781,786,791,799,823,827,831,884,908,936,968,974,980,1009 +0397_00098 14,15,26,35,54,89,106,108,117,122,134,146,157,165,170,180,189,209,210,215,222,238,245,256,260,278,288,311,320,323,347,350,381,397,420,435,437,461,477,488,492,494,499,508,513,535,555,562,567,568,569,572,603,607,609,626,635,651,675,694,719,727,734,756,769,772,804,819,824,850,855,863,873,875,878,893,894,901,907,915,936,948,968,974,1007,1012,1014,1020 +0397_00099 15,33,73,83,89,114,134,153,170,220,240,245,256,260,272,290,311,316,326,327,330,335,346,347,364,369,382,435,461,473,481,490,505,508,515,532,548,549,550,562,597,626,628,654,660,666,667,694,699,707,717,719,724,778,782,787,791,801,812,827,882,925,936,948,950,958,968,974,980,1006,1022 +0397_00100 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0397_00101 14,15,26,35,54,55,62,73,89,106,108,117,120,122,134,146,153,157,167,170,179,189,209,222,238,240,245,254,260,265,266,278,288,291,294,311,323,326,327,330,341,346,347,350,369,381,389,397,420,435,437,461,467,488,492,494,499,508,513,535,549,555,562,567,568,569,572,576,607,608,609,626,635,651,660,675,694,697,699,719,732,734,756,769,772,787,791,804,819,824,825,850,855,873,875,878,889,893,894,901,907,915,936,948,964,968,971,974,978,1007,1012,1014,1020 +0397_00102 14,15,20,26,35,60,64,72,73,89,120,122,144,153,170,222,224,240,253,257,260,261,285,307,311,326,327,330,333,346,347,361,363,368,369,415,430,435,442,456,460,461,499,507,517,534,550,557,562,569,570,571,573,579,585,592,601,620,626,629,651,656,660,663,698,705,706,708,719,746,757,762,769,772,787,791,804,819,835,836,840,845,850,852,861,874,920,936,948,964,974,977,988,999,1011,1014 +0397_00103 17,20,21,93,101,128,133,134,141,148,226,304,339,353,369,371,381,430,476,508,515,550,551,598,626,637,640,657,676,706,712,727,735,825,850,884,905,947,951,968,1011 +0397_00104 15,18,26,32,40,74,89,103,134,141,144,153,173,197,203,209,216,219,232,233,243,245,253,257,260,350,375,382,410,461,471,508,534,584,605,609,611,624,625,626,629,634,648,652,664,681,682,699,768,780,812,819,829,832,855,881,892,906,936,948,961,964,968,977,978 +0397_00105 13,15,20,44,54,58,84,89,115,120,132,134,153,198,207,218,220,241,245,258,274,282,300,326,347,367,390,410,420,430,455,461,468,496,508,515,531,534,540,547,570,576,579,584,593,595,612,626,630,637,648,656,686,727,731,746,762,767,770,810,814,815,834,857,926,948,950,966,968,973,987,1001,1002,1018,1022 +0397_00106 15,26,39,54,58,60,81,89,116,134,143,158,198,204,220,222,245,259,262,274,285,371,430,436,441,443,448,455,461,463,473,478,499,502,508,534,593,626,656,710,716,763,769,772,803,834,876,905,936,948,968,984,1009,1018 +0397_00107 13,15,16,18,20,26,27,30,35,56,83,89,98,134,135,139,153,156,159,170,205,210,215,222,227,244,250,260,261,274,285,289,311,320,321,324,326,328,330,336,347,369,375,385,386,392,394,399,401,410,435,439,450,461,463,466,467,473,477,486,488,495,497,499,505,508,510,517,547,555,562,572,579,608,626,636,651,656,660,678,719,722,727,736,738,747,752,762,763,772,780,785,787,791,804,816,819,825,831,836,837,843,858,863,870,883,889,907,908,916,936,939,948,951,954,968,974,983,994,995,1009,1014 +0397_00108 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0397_00109 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0397_00110 15,54,57,64,74,134,192,245,260,274,284,293,316,347,400,421,452,461,505,508,515,534,544,549,550,566,568,743,748,778,812,837,839,948,964,968,1001,1004 +0397_00111 15,19,26,30,33,36,58,60,68,88,89,134,139,153,215,222,233,239,245,285,290,303,309,326,353,367,432,461,485,498,499,508,509,542,558,592,593,626,642,656,660,669,677,694,700,711,746,769,772,791,822,831,844,850,853,855,902,936,948,953,997,1012,1022 +0397_00112 4,20,94,120,134,141,160,164,177,188,304,347,349,368,401,437,469,508,510,515,549,551,626,705,727,744,778,803,825,850,931,948,968 +0397_00113 15,38,54,66,119,124,134,144,153,207,208,209,245,248,273,291,292,347,373,382,390,400,421,438,452,461,483,496,508,515,521,531,544,568,616,626,642,673,694,699,717,732,744,748,800,842,843,871,924,948,968,969,977,998,1001,1008,1012 +0397_00114 1,29,123,134,137,195,245,354,399,430,440,508,515,550,605,626,640,654,676,756,827,947,968,974 +0397_00115 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0397_00116 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0397_00117 38,42,94,119,134,144,153,207,208,245,248,262,265,292,347,373,382,390,399,400,437,442,452,455,461,508,531,542,544,549,551,552,568,626,642,650,657,659,673,717,744,748,777,778,794,800,833,842,871,924,929,948,953,968,969,977,997,998,1012 +0397_00118 8,14,15,26,35,48,53,60,89,134,147,159,209,222,244,245,285,288,339,363,401,417,420,426,440,453,461,472,492,499,508,513,516,554,567,568,569,605,609,618,626,655,659,687,690,727,755,762,763,772,795,804,818,819,836,851,855,867,871,893,907,936,948,956,964,968,1012,1014,1020 +0397_00119 36,44,110,133,134,159,245,272,283,313,323,353,356,363,431,452,487,508,550,552,553,626,636,640,654,662,683,781,799,899,968 +0397_00120 15,20,26,45,73,89,96,100,119,120,134,141,145,150,153,170,177,230,240,260,261,304,311,326,327,330,344,346,347,369,421,435,438,439,461,471,481,487,491,499,504,508,513,515,518,550,551,556,562,574,594,618,626,651,657,660,667,674,714,717,719,723,727,737,741,749,769,787,791,804,819,822,825,829,841,850,855,875,911,936,948,968,974,978,1010,1022 +0397_00121 15,54,102,119,134,192,221,245,268,274,319,400,442,452,461,483,508,515,544,566,568,572,642,717,732,743,745,746,748,839,845,882,968,1001,1016 +0397_00122 14,15,18,20,26,27,30,35,56,80,83,89,98,103,134,135,136,139,151,153,156,159,163,170,193,205,210,215,222,227,244,245,250,260,274,282,285,289,311,320,321,326,330,336,347,369,375,377,385,386,392,394,399,401,410,435,439,461,463,466,467,473,477,486,488,495,499,505,508,510,516,517,547,555,557,562,572,579,608,626,636,651,656,660,678,719,727,736,747,752,762,763,772,780,785,787,791,804,816,819,822,825,831,836,837,843,857,858,863,870,883,889,908,916,926,936,939,948,951,968,974,994,1009,1014 +0397_00123 20,21,29,37,53,68,93,134,141,148,163,226,298,304,330,353,354,361,369,371,381,430,476,508,515,550,551,578,598,626,637,640,676,712,713,727,735,825,850,905,947,952,955,968 +0397_00124 42,56,91,97,119,134,157,220,245,347,352,409,437,442,452,461,463,473,503,508,513,531,549,552,570,642,659,683,700,712,717,744,748,778,794,830,833,842,855,899,943,948,954,968,1016 +0397_00125 60,96,129,134,145,278,300,304,421,481,487,491,508,514,550,578,627,741,825,829,850,881,968,1010 +0397_00126 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0397_00127 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +0397_00128 15,97,119,134,186,204,209,220,228,245,286,347,352,390,409,421,437,438,452,461,469,483,508,513,515,531,549,570,597,616,642,683,717,732,744,748,778,830,842,855,899,918,948,968 +0397_00129 4,15,17,30,31,57,73,80,89,94,107,129,134,153,162,192,201,226,245,256,283,311,321,326,328,330,334,347,353,394,422,461,482,486,493,508,511,515,522,529,531,534,549,550,573,596,601,604,626,640,661,666,670,676,683,694,705,735,750,759,778,783,791,831,837,849,858,913,936,947,948,950,968,982,994,998,999,1007,1013 +0397_00130 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0397_00131 3,5,13,15,21,26,73,74,89,131,134,161,188,197,220,238,245,260,281,299,347,363,378,402,407,460,461,491,492,499,508,527,536,545,549,573,626,643,654,663,686,710,757,767,778,813,829,847,851,889,895,902,909,912,918,927,928,932,936,948,964,968,974,979,984,1009 +0397_00132 15,29,42,54,59,70,71,107,134,245,344,398,435,442,443,461,500,508,515,550,576,585,626,640,654,656,676,681,748,750,756,759,783,798,835,861,927,935,947,968,996 +0397_00133 3,5,13,15,21,26,74,89,100,131,134,161,187,188,197,220,238,245,260,281,339,347,363,365,402,407,461,481,491,492,499,508,518,527,534,540,549,573,623,643,686,710,767,778,797,813,829,847,851,881,889,895,909,912,927,928,932,934,948,964,968,975,979,984,1009 +0397_00134 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 +0397_00135 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0397_00136 13,42,102,119,134,192,227,245,261,274,319,347,376,400,437,452,461,508,515,544,549,552,566,568,585,625,642,657,671,717,744,748,763,778,794,796,824,919,948,968,997,1020 +0397_00137 9,15,20,26,35,48,55,60,69,73,89,91,100,105,120,134,146,153,159,170,176,179,209,222,238,240,245,249,250,260,265,285,294,298,302,311,325,326,327,330,335,340,341,346,347,351,359,361,369,381,389,420,435,443,450,453,461,467,470,492,499,508,513,516,555,562,567,568,569,576,606,608,609,618,626,632,651,660,673,691,694,712,719,726,727,762,769,772,787,790,791,803,804,822,824,825,836,845,851,855,869,876,878,880,886,893,924,934,936,948,956,964,968,971,974,978,982,985,988,991,1000,1001,1012,1020 +0397_00138 15,20,33,38,89,94,134,153,218,234,245,302,309,310,312,323,425,438,480,508,515,522,602,611,626,630,724,727,760,772,776,786,804,850,896,924,933,948,976,994,1022 +0397_00139 4,9,15,17,30,134,158,159,201,223,226,243,245,335,347,353,438,446,461,508,513,515,529,549,550,554,570,573,626,640,661,662,666,676,683,686,705,707,736,748,750,759,766,772,778,827,858,899,935,936,947,948,968,978,979,997 +0397_00140 4,9,15,17,30,98,134,197,223,243,245,303,335,347,353,359,385,438,446,461,508,513,515,529,549,550,554,570,573,618,626,640,661,676,683,705,709,736,748,750,759,766,772,778,783,827,899,935,936,947,948,968,970,978,997 +0397_00141 15,20,26,51,56,58,59,72,73,89,134,153,156,170,173,186,193,202,220,222,226,228,237,239,240,253,255,260,285,293,311,326,327,329,330,332,334,346,347,357,369,395,409,410,435,461,467,482,499,506,508,517,526,530,562,563,576,593,608,617,626,632,651,655,656,660,661,683,691,697,712,715,719,727,730,734,748,760,762,770,772,778,787,791,804,868,883,892,900,901,908,909,914,922,936,948,949,973,974 +0397_00142 2,9,15,26,32,35,48,55,60,89,91,100,105,134,146,159,176,209,215,222,238,245,249,250,260,265,285,288,298,302,325,327,335,340,341,347,359,361,371,381,389,420,443,450,453,461,467,492,499,508,513,516,555,562,567,568,569,606,609,618,626,632,694,712,719,726,769,772,790,803,812,822,824,836,845,851,855,857,869,876,878,880,893,934,936,948,956,964,968,974,978,985,988,991,1000,1001,1012,1020 +0397_00143 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0397_00144 4,15,17,44,73,89,129,134,192,197,206,226,245,264,282,303,334,347,353,362,405,423,444,461,508,515,529,534,540,549,550,575,618,624,626,636,640,656,657,661,676,683,705,709,735,750,759,778,796,904,947,948,962,968,979,991 +0397_00145 15,20,26,32,40,42,74,76,94,134,145,166,220,222,229,328,330,359,400,461,467,499,508,516,570,578,585,626,628,640,644,679,727,731,775,783,939,948,957,963,968,995,1022 +0397_00146 14,15,20,26,35,60,64,73,89,92,120,144,145,153,170,173,222,224,240,257,260,261,265,285,307,311,323,326,327,330,333,344,346,347,352,361,363,368,369,373,378,390,430,435,436,442,445,456,460,461,467,475,494,499,517,534,535,550,562,569,571,573,576,592,608,626,629,651,656,660,663,698,705,706,719,734,746,757,760,762,769,770,772,773,787,791,804,819,835,836,840,850,852,874,883,920,936,948,964,974,977,979,999,1011,1014 +0397_00147 4,15,63,73,82,89,114,134,164,189,204,242,245,261,277,282,290,347,375,400,437,445,461,486,508,515,522,532,549,551,566,604,616,626,642,656,670,677,678,693,705,711,744,778,803,814,819,856,903,906,908,910,936,948,962,968,973,980,1010,1012 +0397_00148 15,54,119,124,134,148,156,209,245,291,347,400,421,437,438,452,461,483,508,515,531,544,549,568,616,642,694,717,732,744,748,757,778,842,843,871,929,948,968,1001,1008,1012 +0397_00149 44,59,96,100,123,134,153,245,272,326,328,353,356,378,400,404,418,420,487,508,515,550,563,592,605,626,640,654,674,683,714,746,774,787,821,827,849,964,968,993 +0397_00150 6,42,119,134,245,262,265,347,400,437,442,452,461,506,508,531,544,549,552,568,642,650,657,659,717,744,748,777,778,794,833,842,871,929,948,953,954,968,997,1012 +0397_00151 6,15,26,50,58,73,80,89,96,123,134,150,153,170,179,193,206,219,222,233,237,245,246,250,272,274,279,285,311,326,327,330,346,347,360,369,372,385,392,432,435,456,461,498,499,508,544,562,574,593,613,626,656,660,672,701,719,730,731,734,772,778,786,787,791,837,844,855,886,902,907,936,948,959,968,974,994,997,998,1008,1012,1022 +0397_00152 15,27,63,96,134,155,230,283,353,365,373,487,550,577,616,626,627,640,657,725,739,781,935,968,997 +0397_00153 9,13,14,15,25,26,35,52,75,89,104,112,117,132,134,170,179,189,203,210,214,215,222,238,244,245,255,256,260,288,311,320,321,347,370,372,376,400,405,435,443,448,451,452,458,461,477,488,489,491,492,499,508,544,547,555,562,564,568,593,626,642,651,662,681,717,719,727,767,772,804,855,863,878,888,894,898,904,907,936,948,950,968,974,976,984,1014,1020,1022 +0397_00154 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0397_00155 15,26,56,60,62,76,89,91,103,125,134,146,148,153,176,193,197,207,220,222,229,245,285,288,318,320,326,343,363,369,407,420,452,455,461,470,492,499,508,534,540,566,567,571,594,598,603,609,618,623,626,628,630,649,650,656,678,689,698,717,722,727,740,753,772,776,802,806,829,832,838,866,890,918,931,936,937,939,948,949,957,964,968,987,989 +0397_00156 12,13,26,30,42,89,102,119,134,153,166,192,227,245,261,274,319,326,347,400,452,455,461,499,508,515,523,544,555,566,568,573,585,619,625,642,657,671,717,744,748,763,774,794,796,800,817,829,830,948,953,968,997,1020 +0397_00157 44,96,123,134,149,153,161,226,244,245,272,328,353,356,400,456,487,508,550,569,605,626,640,654,683,714,821,827,964,966,968,993,1022 +0397_00158 15,26,93,128,134,195,226,245,259,260,269,316,326,335,347,353,361,369,379,381,425,438,442,461,476,500,505,508,513,515,527,549,550,626,640,661,683,697,748,753,778,797,798,811,827,835,918,922,936,948,951,968,970,1007 +0397_00159 36,44,80,86,98,134,191,220,245,272,273,283,353,431,458,485,487,508,513,550,552,570,626,640,649,654,667,683,781,799,827,866,898,899,948,968 +0397_00160 36,44,71,95,113,123,134,153,243,245,258,270,272,283,326,347,353,408,412,418,420,487,508,515,550,552,590,601,626,640,650,654,661,667,683,719,761,774,781,799,809,827,873,953,968 +0397_00161 15,19,26,30,36,58,60,88,89,119,133,134,139,153,208,215,222,233,239,245,285,309,326,343,367,432,452,461,498,499,508,554,558,592,593,626,642,656,660,694,700,717,746,769,772,791,814,822,831,844,850,852,853,855,902,913,936,948,953,968,997,1010,1022 +0397_00162 4,9,15,30,112,119,134,151,158,167,215,223,245,272,295,328,335,347,353,437,438,446,461,508,513,515,549,550,554,570,573,626,640,673,678,683,686,704,705,707,709,711,732,738,744,748,772,778,783,899,927,936,948,953,968,971,978,1020 +0397_00163 4,9,15,30,112,134,151,193,223,245,272,283,335,347,367,413,437,438,446,461,469,508,513,515,549,550,551,554,570,573,582,678,683,686,705,707,709,725,732,738,744,748,772,778,783,819,899,922,932,936,948,968,978,1011 +0397_00164 15,20,44,56,58,89,115,134,138,160,220,245,274,302,307,364,454,473,508,512,540,649,660,666,762,871,934,948,968,971,1008 +0397_00165 1,15,17,21,26,56,60,62,63,76,89,95,103,125,134,140,146,153,182,184,193,207,220,222,229,237,245,255,285,288,309,326,343,369,407,420,430,452,455,456,457,461,470,474,490,492,499,508,534,540,546,594,599,603,618,626,656,675,689,722,723,727,740,758,772,802,806,811,813,848,855,866,881,890,900,931,939,948,957,968,974,987,989,1004,1009,1020 +0397_00166 2,8,9,14,15,26,32,35,48,53,55,60,89,91,105,134,146,147,159,209,215,222,245,250,260,265,285,288,298,325,327,339,340,341,347,363,371,381,389,420,426,440,453,461,467,472,492,499,508,513,516,554,555,567,568,569,606,609,618,626,687,712,719,727,755,763,772,790,795,804,812,819,822,836,845,851,855,857,867,869,871,880,893,907,934,936,948,956,964,968,974,978,985,1012,1014,1020 +0397_00167 15,26,35,58,77,89,113,134,233,235,238,299,406,498,499,593,609,630,758,772,928,948,963,964,1022 +0397_00168 15,87,89,96,134,145,197,205,219,241,245,304,347,368,373,418,421,461,466,487,491,508,513,534,540,549,550,568,583,703,737,741,778,792,825,829,850,880,931,948,965,968,1010,1011,1012 +0397_00169 96,123,134,201,220,245,272,330,347,353,400,418,437,487,499,503,508,515,549,550,563,605,626,639,640,654,659,683,714,744,778,787,827,925,947,948,959,964,968,993,1008 +0397_00170 26,30,42,89,94,119,134,153,166,245,262,265,347,400,437,442,452,455,461,499,508,523,531,542,544,549,552,555,568,573,619,642,650,657,659,717,744,748,777,778,794,800,817,829,830,833,842,871,921,929,948,953,968,997,1012 +0397_00171 15,26,33,35,77,89,134,193,198,220,238,274,299,466,473,495,499,609,781,834,896,914,948,964,968 +0397_00172 15,26,30,54,66,89,119,124,134,153,166,209,245,291,347,400,421,438,452,461,483,499,508,515,521,523,531,544,555,568,573,616,619,642,694,699,717,732,744,748,775,800,817,829,830,842,843,871,914,948,953,968,1001,1008,1012 +0397_00173 20,36,44,51,71,94,95,123,134,169,170,176,211,245,258,272,283,353,408,412,418,456,458,480,487,508,515,550,552,626,640,650,654,661,667,683,719,727,781,799,827,853,873,897,968,1022 +0397_00174 42,54,77,96,134,142,145,166,223,245,249,277,297,335,347,353,386,391,421,437,446,460,461,487,508,513,515,536,549,550,570,573,586,619,626,640,661,683,744,748,778,789,803,812,823,899,927,948,968,978,987,1016 +0397_00175 9,15,17,96,134,145,200,223,243,245,249,335,353,421,438,446,461,487,508,513,515,529,536,550,554,570,573,619,626,640,661,676,683,736,748,750,759,766,812,827,899,935,947,968,978,987,997 +0397_00176 4,15,21,51,93,96,98,134,144,193,197,215,245,257,259,303,328,335,347,348,353,386,419,437,438,461,468,500,508,514,515,549,550,551,588,590,618,626,640,659,683,705,709,710,720,744,748,778,798,811,819,827,936,948,968,970,996 +0397_00177 9,15,17,134,200,223,243,245,260,335,347,353,438,446,461,481,505,508,513,515,529,549,550,554,570,573,619,626,640,661,666,676,683,736,748,750,759,766,778,812,827,899,935,936,947,948,968,978,980,997,1016 +0397_00178 36,44,71,134,245,258,272,283,324,353,386,487,506,508,550,552,626,640,654,667,683,781,799,827,968,993 +0397_00179 13,15,44,68,73,89,111,128,129,134,200,206,245,259,260,264,268,269,282,316,334,347,353,362,405,425,461,505,508,515,534,540,549,550,575,620,624,626,640,657,661,676,683,733,778,796,827,947,948,951,962,968,1023 +0397_00180 4,12,15,20,40,62,79,91,101,105,134,145,153,175,201,207,225,226,231,270,280,281,282,283,337,347,353,387,390,408,436,483,508,511,515,530,549,550,626,635,640,657,666,705,706,711,727,778,779,786,826,858,948,968,994 +0397_00181 35,89,107,123,128,134,164,170,207,210,215,220,222,245,252,258,260,280,299,311,320,329,347,353,406,408,412,418,435,461,464,473,486,508,515,562,626,628,640,650,654,661,683,686,719,724,725,727,741,793,814,827,837,863,904,934,936,948,968,974 +0397_00182 15,21,56,71,89,102,134,171,207,210,220,228,245,274,300,310,312,329,401,407,410,446,456,461,466,493,508,534,599,630,635,644,649,656,676,689,717,719,735,742,749,767,849,886,904,933,943,948,950,957,968,987,1022 +0397_00183 9,15,82,91,95,96,134,145,150,200,223,245,249,272,335,420,421,434,446,461,487,508,513,536,550,573,585,619,654,701,714,748,799,812,820,899,931,968,984,987 +0397_00184 2,4,15,50,97,134,158,186,193,201,220,245,328,330,347,369,409,410,438,461,506,508,513,515,519,549,570,577,587,597,626,640,683,705,748,778,830,855,899,900,948,968 +0397_00185 2,8,14,15,20,24,26,35,47,60,84,89,91,92,120,134,146,147,159,191,209,215,222,226,245,254,260,265,285,288,294,325,341,347,359,381,389,420,440,453,461,466,472,492,499,508,513,516,521,549,554,555,567,568,569,571,606,609,618,626,662,687,697,699,712,719,721,727,755,762,763,766,772,790,795,819,822,851,855,873,886,893,934,936,948,956,962,964,968,974,978,982,1012,1014,1020 +0397_00186 14,15,20,26,27,35,39,48,60,73,80,89,94,106,134,153,161,170,174,179,193,215,220,222,238,240,252,260,268,274,282,285,289,303,311,325,326,327,330,346,347,369,384,385,388,399,422,435,443,446,461,467,473,482,495,499,508,534,540,562,569,570,572,604,626,635,651,656,660,683,686,712,719,720,727,734,746,747,755,769,772,787,791,797,804,819,834,852,898,916,936,948,968,974,1014,1018,1022,1023 +0397_00187 96,123,134,245,272,400,487,508,547,550,605,654,714,827,964,968 +0397_00188 20,36,64,109,119,153,278,319,361,419,451,508,530,537,577,627,663,698,739,756,757,762,850,896,948,1014 +0397_00189 2,9,14,15,26,32,35,48,55,60,89,91,105,117,122,134,146,147,159,189,209,215,222,238,245,250,260,265,285,288,298,325,327,340,341,347,371,381,389,420,437,453,461,467,488,492,499,508,513,516,531,535,555,567,568,569,606,609,618,626,694,712,719,727,734,755,763,772,790,812,822,824,836,845,851,855,857,869,878,880,893,894,907,915,934,936,948,956,964,968,974,978,985,1012,1014,1020 +0397_00190 14,15,26,30,41,64,75,89,116,119,133,134,137,139,151,179,193,215,222,229,245,251,272,293,310,323,374,400,446,452,457,461,467,499,508,518,534,540,563,568,569,573,574,586,599,603,611,635,656,658,660,686,699,716,759,770,772,800,810,812,829,855,871,890,894,906,926,948,950,963,968,986,1014 +0397_00191 12,15,21,26,48,89,102,128,134,143,211,220,222,245,266,274,300,312,329,401,407,410,421,446,456,461,473,483,491,508,533,534,554,577,584,644,649,676,702,717,735,742,780,782,783,788,829,845,848,907,943,948,950,968,987,989 +0397_00192 1,15,79,96,123,134,230,245,272,309,487,498,508,550,636,654,675,714,716,721,742,827,924,936,968,988 +0397_00193 4,20,69,95,124,134,141,148,153,158,201,226,257,304,347,353,362,487,508,515,517,549,550,551,557,578,626,640,644,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0397_00194 6,15,26,58,80,89,96,134,139,153,179,193,206,219,222,233,237,245,246,250,272,274,285,326,360,372,385,432,438,461,468,481,498,499,508,544,593,626,653,656,672,713,730,731,772,778,786,791,844,855,886,902,907,948,968,997,998,1008,1012,1022 +0397_00195 13,20,42,102,119,134,142,153,179,192,227,245,260,261,274,319,326,347,400,452,455,461,507,508,515,544,566,568,585,625,642,657,663,671,698,717,724,741,744,748,757,762,763,774,794,796,800,850,872,948,968,997,1020 +0397_00196 11,15,19,26,32,44,54,89,107,119,122,128,134,153,170,205,214,222,237,238,243,245,257,260,261,272,283,325,337,346,378,404,450,452,460,461,467,499,508,534,584,626,634,641,643,661,665,727,735,741,778,783,786,832,837,847,855,918,948,950,964,968,1014 +0397_00197 13,15,44,68,73,89,92,93,95,96,134,145,150,159,245,272,282,296,348,362,380,416,421,461,477,487,508,534,540,550,555,575,592,654,657,689,714,763,807,903,968 +0397_00198 17,123,134,164,207,220,222,245,258,280,329,353,354,387,406,408,412,418,508,515,529,626,640,650,654,661,676,683,686,703,814,827,837,850,868,904,947,948,968 +0397_00199 4,5,14,15,20,26,27,30,35,60,61,80,89,94,134,139,151,153,154,161,169,170,174,193,210,215,220,222,238,250,252,253,260,267,268,274,282,285,289,299,311,320,326,347,365,377,385,401,435,443,461,467,473,477,482,483,487,495,499,508,540,562,570,572,604,608,626,636,651,656,674,678,693,695,711,719,727,747,755,760,770,772,778,782,804,805,813,819,822,831,836,838,852,863,867,887,892,915,916,936,938,939,948,964,968,974,987,1009,1014,1022 +0397_00200 36,44,71,96,123,134,245,258,272,283,353,386,400,487,508,550,552,605,626,640,641,654,667,683,714,719,781,799,827,964,968,993,1022 +0397_00201 2,9,14,15,20,26,35,48,55,60,89,91,92,105,117,120,122,134,146,147,159,182,189,209,215,222,238,245,250,260,265,285,288,293,294,298,325,327,329,340,341,347,381,389,420,437,453,461,467,488,492,499,508,513,516,521,531,535,555,567,568,569,606,608,609,618,626,694,712,719,727,734,755,762,763,772,790,822,824,836,845,851,855,869,878,880,886,893,894,907,915,924,934,936,948,956,964,968,974,978,982,983,985,1012,1014,1020 +0397_00202 15,54,55,58,72,89,126,134,220,245,272,274,300,317,343,375,410,424,443,455,461,486,508,533,534,543,585,593,609,630,656,697,716,725,731,767,772,810,838,863,894,948,949,968,987,1018,1020,1022 +0397_00203 96,119,123,134,143,201,220,245,272,328,330,353,356,383,400,418,487,508,515,519,550,563,570,592,605,626,640,654,683,714,787,821,827,948,964,968,993 +0397_00204 10,15,20,51,52,106,109,134,144,153,167,169,228,245,249,267,328,343,353,360,373,378,383,408,413,438,461,473,474,508,515,619,626,630,633,640,663,683,696,698,707,726,739,741,746,748,752,757,762,764,774,781,786,802,808,827,850,858,921,938,948,968,977,999 +0397_00205 15,20,54,66,119,124,134,142,153,179,209,245,260,291,347,400,421,438,452,461,479,483,507,508,515,521,531,544,568,616,642,663,694,698,699,717,732,741,744,748,757,762,800,842,843,850,871,872,948,968,1001,1008,1012 +0397_00206 20,77,93,96,134,141,145,161,176,298,304,312,373,421,487,491,508,550,551,599,637,727,741,804,825,829,850,897,898,911,968,1010 +0397_00207 15,16,54,58,86,89,134,137,140,147,171,227,233,245,319,321,408,419,443,448,453,455,461,463,486,498,506,508,534,593,610,656,710,716,772,814,913,1009,1018,1022 +0397_00208 15,21,28,39,41,47,49,89,122,134,146,171,182,191,220,245,252,260,349,359,367,378,392,423,450,461,476,482,487,508,550,602,610,616,647,654,683,711,725,774,781,798,808,827,840,842,871,926,943,948,968,997,1012 +0397_00209 4,12,13,15,20,40,62,79,91,134,145,153,175,201,207,225,226,231,270,280,281,282,283,337,347,353,387,390,399,408,436,483,508,511,515,530,549,550,556,626,635,640,657,666,705,706,711,727,755,778,779,781,786,826,858,948,968,994 +0397_00210 15,20,26,54,66,89,119,124,134,153,166,209,239,245,260,280,291,347,355,400,419,421,438,452,461,479,483,487,489,499,507,508,515,521,523,530,531,544,568,573,616,642,653,664,694,699,717,725,726,732,744,748,757,762,800,801,829,842,843,850,871,872,948,968,976,1001,1008,1012 +0397_00211 9,15,32,63,64,96,134,145,155,170,200,223,245,249,300,304,335,340,377,421,422,446,461,487,508,513,536,550,570,573,577,606,616,618,619,655,683,701,721,725,739,748,812,899,935,968,972,978,987 +0397_00212 7,15,21,25,26,44,49,88,89,117,132,134,148,184,214,215,222,236,245,255,288,308,315,351,357,399,400,492,499,508,513,530,533,540,547,566,568,602,603,629,693,742,747,759,772,782,809,816,844,850,898,915,948,949,968,976,995,1022 +0397_00213 4,12,18,20,21,62,64,69,91,94,101,134,137,145,153,154,172,175,201,226,270,281,283,312,337,347,353,408,481,496,508,515,530,549,550,551,617,623,626,640,666,705,706,711,727,778,786,826,850,855,858,891,915,948,968,994 +0397_00214 15,17,31,40,131,134,138,144,207,220,221,245,274,283,294,326,332,349,353,355,357,364,367,466,472,508,513,515,542,566,582,586,597,626,640,671,676,702,707,748,779,794,802,827,852,880,902,913,927,948,968,976,1015 +0397_00215 4,5,8,14,15,25,26,32,35,37,44,60,89,115,128,134,142,144,151,158,161,170,194,204,210,212,215,222,241,259,260,274,285,288,311,317,320,324,333,338,347,351,355,426,435,437,440,460,461,463,467,471,473,477,482,492,494,499,517,526,527,528,539,540,548,562,566,579,591,607,608,616,618,626,651,667,685,693,694,709,711,712,714,719,727,730,746,753,757,772,782,804,813,818,819,820,829,832,836,863,873,887,921,927,936,937,939,948,964,968,974,983,985,993,998,999,1022 +0397_00216 36,44,71,95,123,134,164,207,220,222,245,258,272,280,283,329,353,406,408,412,418,487,508,515,550,552,626,640,650,654,661,667,683,686,719,781,799,814,827,837,873,948,968 +0397_00217 13,14,15,25,26,32,35,44,53,60,89,91,98,99,115,128,134,138,144,146,151,153,170,173,204,210,212,214,215,222,227,241,252,259,260,269,274,280,285,288,311,314,320,323,326,330,347,381,385,392,395,400,426,435,437,439,456,460,461,467,471,473,477,492,494,499,514,517,528,539,540,547,548,562,566,591,592,603,608,618,626,651,693,694,709,711,714,719,727,739,746,753,757,760,770,772,782,787,791,804,813,822,829,832,863,873,896,936,937,939,948,964,968,974,983,998 +0397_00218 28,41,128,134,146,182,191,192,220,245,306,325,367,378,392,423,461,476,482,487,508,529,550,592,602,610,616,643,647,649,654,676,681,683,717,725,774,781,798,808,815,827,911,943,948,950,968,978,989,997 +0397_00219 15,21,25,26,39,40,41,47,49,89,134,146,169,178,222,228,237,245,252,260,316,349,351,359,382,428,450,458,461,465,473,484,499,508,550,652,654,677,683,694,711,730,798,827,840,842,871,919,926,937,943,948,968,979,988,1012,1022 +0397_00220 6,11,15,44,57,82,95,96,134,150,153,211,245,272,287,326,384,461,487,504,508,550,555,585,626,640,646,654,656,681,689,714,748,763,800,861,968 +0397_00221 9,15,63,96,115,134,143,145,200,223,245,249,335,420,421,442,446,461,487,508,513,515,536,539,550,573,577,619,632,635,639,654,655,673,746,748,787,799,811,812,825,899,919,935,968,987 +0397_00222 14,15,19,20,26,27,30,36,60,80,89,94,134,139,151,153,161,169,174,193,210,215,222,238,239,250,252,253,268,274,282,285,289,326,333,365,377,385,401,443,473,482,483,495,499,508,540,570,572,604,626,636,656,674,678,694,695,700,727,747,755,769,772,791,819,822,831,853,916,936,948,964,968,1009,1014 +0397_00223 14,15,20,26,27,35,39,48,60,80,89,94,134,174,179,193,214,215,222,238,252,268,274,282,285,289,325,333,384,385,388,399,422,443,446,467,473,482,495,499,508,534,540,569,570,572,595,604,626,635,654,656,720,727,734,746,747,755,769,772,786,791,819,834,852,898,916,920,936,948,968,1014,1023 +0397_00224 10,12,15,20,46,65,89,94,134,142,147,171,193,209,213,220,245,260,444,485,486,488,508,531,557,598,603,626,692,716,719,727,755,762,768,772,792,801,812,849,850,908,948,949,1022 +0397_00225 107,123,128,134,164,207,220,222,245,252,258,260,280,329,347,353,363,406,408,412,418,425,505,508,515,549,626,628,640,650,654,661,683,686,778,780,814,827,837,904,948,951,968 +0397_00226 4,12,13,15,20,40,62,79,91,134,145,153,175,201,207,225,226,231,270,280,281,282,283,337,347,353,387,390,399,408,436,483,508,511,515,530,549,550,556,626,635,640,657,662,666,705,706,711,727,755,778,779,781,786,826,858,948,968,994 +0397_00227 44,89,123,134,245,272,278,305,361,487,508,526,537,550,576,577,606,624,654,683,703,736,781,804,827,899,908,924,935,968,981,986 +0397_00228 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 +0397_00229 13,14,15,25,26,32,44,53,60,73,89,91,99,115,128,134,144,146,151,153,170,173,204,212,214,222,240,241,252,259,260,269,274,280,285,288,311,326,327,330,346,347,369,381,400,426,435,437,456,460,461,471,473,492,499,514,517,528,539,540,547,548,562,566,591,592,603,618,626,651,660,693,694,709,711,714,719,739,746,753,757,772,782,787,791,804,813,818,822,829,832,863,873,936,937,948,964,968,974,983,998 +0397_00230 15,25,26,40,41,89,128,134,146,169,178,192,220,222,228,237,245,306,316,342,351,382,428,461,465,473,484,485,499,508,529,550,643,649,652,654,676,677,681,683,694,717,730,774,798,815,827,911,919,937,948,950,968,978,988,989,1022 +0397_00231 5,14,15,25,26,32,37,44,57,60,89,115,128,134,144,151,204,212,222,241,259,260,274,285,288,317,338,351,355,380,385,426,437,438,460,461,471,473,492,499,517,528,539,540,548,562,566,591,607,616,618,626,628,693,694,709,711,714,746,753,757,768,769,772,813,818,829,832,863,873,933,936,937,948,964,968,983,985,998 +0397_00232 10,15,20,44,89,93,101,111,115,134,140,151,158,201,220,221,237,264,278,300,328,330,337,345,347,349,353,367,383,427,430,462,494,506,508,515,520,549,583,592,603,626,640,705,727,779,797,840,850,948,968,988,1004 +0397_00233 13,20,42,64,102,119,134,153,192,227,239,245,260,261,274,280,319,326,347,361,400,419,452,455,461,507,508,515,523,530,537,544,566,568,585,625,642,657,663,664,671,698,717,724,744,748,756,757,762,763,774,794,796,800,801,847,850,872,896,948,968,997,1014,1020 +0397_00234 15,40,131,134,138,144,207,220,221,245,252,260,274,283,294,326,347,349,353,355,357,364,367,425,465,466,472,505,508,513,515,532,549,566,586,597,626,640,650,671,702,707,748,761,776,778,779,794,802,827,880,902,913,948,968,976,996 +0397_00235 15,20,54,64,66,119,124,134,153,209,239,245,260,280,291,347,361,400,419,421,438,452,461,479,483,507,508,515,521,523,530,531,537,544,568,616,642,663,664,694,698,699,717,732,744,748,756,757,762,800,801,842,843,847,850,871,872,896,948,968,1001,1008,1012,1014 +0397_00236 45,56,62,66,134,153,159,194,211,245,283,297,310,326,440,462,485,508,513,556,617,626,640,647,662,689,716,726,755,778,781,786,794,826,827,845,899,948,968,994,1006 +0397_00237 8,29,34,44,79,94,125,134,147,206,207,220,225,286,317,452,513,529,549,553,644,665,699,779,802,812,948,949,968,994 +0397_00238 7,14,15,20,25,26,35,39,45,53,58,60,89,94,115,179,191,193,214,222,225,250,285,304,333,384,401,406,419,454,463,482,492,499,502,508,509,517,547,570,572,595,604,608,618,626,654,656,657,727,737,762,769,772,786,791,837,847,852,854,873,892,920,936,948,950,964,995,1007,1014 +0397_00239 14,15,20,26,27,35,60,80,89,94,134,161,169,174,179,193,214,215,222,238,250,252,253,268,274,282,285,289,333,365,377,384,385,401,443,473,482,483,495,499,508,540,570,572,595,604,626,636,654,656,674,678,695,727,746,747,755,769,772,786,791,819,852,916,920,936,948,964,968,1009,1014 +0397_00240 14,15,18,20,26,27,35,60,80,89,94,115,134,135,163,174,179,193,205,214,222,244,250,260,274,282,285,289,321,333,377,384,394,401,463,473,482,488,495,499,508,545,570,572,595,626,636,654,656,661,678,727,746,747,763,765,769,772,780,786,791,819,828,843,852,916,920,936,948,951,964,968,1009,1014 +0397_00241 15,26,45,54,55,62,67,79,80,85,89,104,134,149,153,193,199,209,220,244,267,270,272,282,283,334,345,353,410,412,451,456,461,492,499,515,524,568,573,601,626,640,715,746,767,772,778,784,786,797,826,872,941,948,963,968,977,994,1013,1022 +0397_00242 45,50,64,100,134,145,153,154,186,264,283,295,309,312,315,328,334,353,361,372,396,447,481,487,514,516,524,538,546,550,556,575,579,588,599,626,640,662,708,719,741,778,781,786,794,811,817,850,864,870,934,945,948,968,1019 +0397_00243 14,15,26,27,35,60,80,89,101,134,135,139,153,157,163,174,176,179,187,193,214,222,260,274,282,285,289,299,321,326,333,377,384,394,457,473,482,488,495,499,518,536,540,572,595,611,616,626,636,654,656,746,747,763,769,772,775,780,786,791,818,843,852,916,920,936,948,951,968,1009,1014 +0397_00244 13,15,25,26,44,49,53,60,89,99,115,134,144,153,184,205,207,214,219,222,231,269,274,280,285,288,327,331,343,351,389,400,458,470,473,492,494,499,515,540,547,566,567,586,618,626,690,696,698,726,727,757,772,778,782,793,795,802,806,818,822,874,883,904,936,944,948,961,968,992 +0397_00245 37,45,50,62,64,100,134,153,154,164,186,283,295,309,312,328,334,353,361,396,481,487,524,538,546,550,556,579,588,599,626,632,640,662,719,741,778,781,785,786,794,811,850,864,870,897,934,945,948,968,994 +0397_00246 13,14,15,25,26,32,44,53,60,89,99,115,128,134,144,151,184,204,212,214,222,241,259,260,269,274,280,285,288,351,400,426,437,458,460,461,471,473,492,499,517,528,539,540,547,548,566,591,618,626,690,693,694,696,709,711,714,746,753,757,772,782,793,813,818,822,829,832,863,873,874,936,937,948,964,968,983,998 +0397_00247 13,14,15,25,26,32,44,53,60,89,99,115,128,134,144,151,184,204,212,214,222,241,259,260,269,274,280,285,288,351,400,426,437,458,460,461,471,473,492,499,517,528,539,540,547,548,566,591,618,626,690,693,694,696,709,711,714,746,753,757,772,782,793,813,818,822,829,832,863,873,874,936,937,948,964,968,983,998 +0397_00248 14,15,26,32,60,89,128,151,159,204,212,222,241,244,259,260,285,288,401,414,417,426,437,453,460,461,471,492,499,517,528,539,548,566,591,605,609,618,626,637,655,659,690,692,693,694,698,711,714,736,746,753,762,772,813,818,829,832,851,861,863,873,936,937,948,949,952,964,983,998,1022 +0397_00249 14,15,26,32,60,89,128,151,159,204,212,222,241,244,259,260,285,288,401,414,417,426,437,453,460,461,471,492,499,517,528,539,548,566,591,605,609,618,626,637,655,659,690,692,693,694,698,711,714,736,746,753,762,772,813,818,829,832,851,861,863,873,936,937,948,949,952,964,983,998,1022 +0397_00250 6,20,26,45,62,94,101,134,153,167,241,283,353,456,462,487,508,524,538,550,556,626,637,640,662,681,708,719,727,755,761,778,781,786,794,826,945,948,968,994 +0397_00251 6,20,26,45,50,62,64,94,101,134,153,154,163,167,241,283,312,353,361,456,462,481,487,508,524,538,550,556,558,599,626,637,640,662,681,708,719,727,755,761,778,781,786,794,826,850,864,945,948,968,994 +0397_00252 15,16,20,26,64,89,96,115,124,134,149,153,175,197,207,210,222,245,253,257,274,282,283,297,309,327,361,375,388,406,411,412,499,508,541,557,562,597,625,626,629,640,652,663,676,686,689,696,698,699,700,717,727,757,761,762,774,802,819,830,831,850,860,874,890,908,914,923,924,938,948,984,1011 +0397_00253 6,20,26,45,50,62,64,94,101,134,153,154,163,167,241,283,312,353,361,456,462,481,487,508,524,538,550,556,558,599,626,637,640,662,681,708,719,727,755,761,778,781,786,794,826,850,864,945,948,968,994 +0397_00254 14,15,26,27,35,60,80,89,134,135,163,174,179,193,214,222,260,274,282,285,289,293,317,321,333,377,384,394,456,473,482,488,495,499,524,572,595,626,636,654,655,656,689,733,744,746,747,763,769,772,780,786,791,843,852,854,916,920,921,936,948,951,965,968,1009,1014 +0397_00255 7,14,15,19,20,26,29,35,45,53,58,60,89,115,179,191,193,214,222,225,248,285,304,310,333,370,384,419,454,482,489,492,499,502,517,559,595,604,618,626,632,654,655,656,733,737,762,769,772,786,791,837,847,852,854,873,892,920,925,936,948,950,965,1007,1014 diff --git a/processed_data/0397/0397_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0397/0397_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..0d092ba96 --- /dev/null +++ b/processed_data/0397/0397_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,157 @@ +id bits.on +0397_00002 15,54,85,89,93,134,153,167,192,197,200,216,220,245,274,300,301,303,311,326,347,351,353,397,400,442,452,461,493,508,515,533,544,557,562,566,567,568,602,626,640,674,689,705,719,743,748,765,810,839,845,936,938,968,974,1001,1012,1016 +0397_00003 15,17,39,40,73,89,134,182,231,252,328,337,353,367,387,415,444,461,465,511,515,534,540,552,564,592,606,626,640,648,667,676,698,719,726,728,750,752,759,888,936,941,947,968,1008,1019 +0397_00004 4,11,20,23,26,54,69,89,92,134,147,151,153,211,219,226,328,347,353,396,411,421,442,449,461,491,508,515,544,555,557,592,604,605,608,626,627,640,648,693,716,727,744,752,778,819,855,897,936,959,968,974,979,1011 +0397_00006 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0397_00007 3,15,17,40,73,89,129,134,182,214,226,228,231,259,288,337,353,369,371,381,394,413,415,444,461,476,494,503,511,515,534,540,550,552,564,588,594,626,640,676,750,759,888,904,936,947,951,968,1019 +0397_00008 15,17,20,39,40,73,89,129,134,182,226,258,280,281,317,335,337,353,369,381,415,444,461,476,503,511,515,517,534,540,550,552,626,640,676,712,718,719,726,750,753,756,759,873,936,947,961,968,1019 +0397_00010 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0397_00011 15,26,53,58,85,89,90,93,104,134,153,199,200,216,222,239,245,260,273,298,300,311,326,347,351,397,426,442,461,471,493,495,497,508,513,549,557,562,590,602,626,639,652,656,662,669,689,701,719,743,770,808,817,850,855,858,901,912,927,928,936,946,950,968,973,974,1012,1017 +0397_00012 5,15,17,20,24,39,40,42,54,73,89,106,110,129,134,168,182,226,228,231,314,353,365,369,381,444,461,465,476,503,507,515,519,534,540,550,552,570,580,586,594,623,626,640,642,643,667,676,701,715,717,719,728,732,750,759,787,841,852,888,895,936,941,947,951,968,980,1004,1005,1015 +0397_00014 4,42,85,89,93,134,153,189,192,200,216,220,245,261,274,300,301,311,316,326,328,347,351,400,442,452,461,483,493,508,515,533,544,549,557,562,566,568,602,624,625,626,640,657,689,705,719,743,744,748,778,796,810,811,856,862,877,928,936,948,968,974,997,1020 +0397_00018 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0397_00019 5,15,20,38,62,89,96,120,134,144,145,153,154,156,162,175,185,270,296,323,341,347,354,355,380,401,412,415,421,474,481,487,503,508,511,524,544,545,550,588,629,648,687,725,727,737,753,759,772,773,777,864,868,879,915,948,968,977 +0397_00021 9,15,26,66,74,89,123,134,179,217,218,245,249,253,283,301,323,410,461,499,508,567,579,584,748,772,858,864,909,912,924,941,948,974 +0397_00022 15,58,85,87,89,93,104,110,126,134,145,153,200,216,238,245,250,260,264,274,296,300,311,326,347,351,352,364,386,412,442,461,471,493,508,544,554,557,562,590,602,626,634,656,669,685,689,719,743,799,817,833,850,865,902,927,936,946,950,968,972,974,980,982,998,1010,1012 +0397_00023 15,20,85,89,93,113,134,144,151,153,200,216,242,247,260,282,300,311,314,325,326,339,347,351,390,413,442,461,471,493,499,508,549,557,562,578,590,596,602,605,626,634,636,669,689,719,727,743,758,780,804,817,840,851,861,864,869,900,916,927,936,948,950,964,968,974 +0397_00024 2,14,15,26,33,71,89,95,111,120,134,162,175,206,218,245,260,273,327,332,333,364,410,445,447,451,461,466,499,508,514,534,539,570,584,626,634,650,654,656,680,726,741,752,789,819,855,906,909,932,936,948,956,964,1012 +0397_00025 15,20,59,77,85,89,93,113,116,134,144,151,153,200,216,245,260,299,300,302,311,326,339,345,347,348,351,355,390,414,442,461,471,493,508,540,549,557,562,590,602,626,669,674,689,719,727,743,758,775,811,817,840,864,869,902,906,925,927,936,948,950,964,968,974,980,1016 +0397_00026 9,15,58,72,85,89,93,104,110,134,153,156,194,200,216,227,245,260,280,285,297,298,300,311,326,347,351,364,396,424,442,458,461,471,493,508,533,557,562,582,590,602,626,634,656,669,689,717,719,743,759,772,806,817,850,890,927,936,946,948,950,953,958,968,973,974,1012 +0397_00027 15,20,21,26,36,39,66,73,89,93,94,97,130,134,141,147,148,161,226,227,298,304,328,347,349,353,369,371,381,430,476,508,515,518,528,546,550,551,568,570,588,598,626,640,674,712,717,719,727,731,735,737,762,768,795,800,819,825,850,887,936,968,1011 +0397_00028 7,12,15,26,39,43,47,58,83,89,102,108,119,134,139,146,148,152,153,177,194,200,209,216,222,224,230,235,245,247,255,260,300,326,337,347,350,418,420,423,438,440,447,456,461,466,493,495,496,499,508,513,517,538,561,562,567,568,569,577,590,605,610,615,626,689,691,716,719,744,772,819,822,855,857,861,877,879,890,893,902,924,927,936,942,948,964,968,970,974,978,996,1012,1016 +0397_00030 9,12,15,85,89,93,106,134,139,140,153,158,168,193,197,200,206,216,220,223,245,247,292,300,311,326,328,335,347,351,393,438,442,446,449,461,464,466,493,499,508,513,515,533,550,554,557,562,570,573,602,619,620,626,640,676,683,689,705,711,718,719,733,743,748,765,780,792,860,888,894,899,933,936,941,947,968,974,978,1016,1019 +0397_00031 9,15,30,54,85,89,134,140,153,158,159,167,168,223,226,245,247,292,295,311,326,328,335,351,353,359,361,369,381,393,438,442,446,461,466,476,508,513,515,550,554,562,570,573,589,603,626,640,683,689,711,718,719,743,748,767,772,814,816,836,860,888,894,899,936,937,941,968,970,974,978 +0397_00032 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0397_00034 9,15,30,34,85,89,93,134,153,158,159,167,193,197,200,216,220,223,226,245,252,300,311,326,328,335,347,351,353,359,361,369,381,393,438,442,446,461,476,493,508,510,513,515,533,550,554,557,562,570,573,602,626,640,683,689,705,711,719,743,748,765,772,792,795,826,836,899,936,968,970,974,978,1014 +0397_00035 15,21,23,30,58,89,92,128,134,153,177,200,219,220,229,241,245,247,260,278,298,300,316,320,321,323,330,335,337,347,350,353,395,419,423,438,442,461,463,471,486,493,499,500,508,511,515,523,533,550,555,557,562,564,620,626,635,640,648,651,654,661,676,683,687,691,697,700,719,733,748,780,785,793,798,808,827,872,918,927,936,947,948,968,974,994,996 +0397_00036 21,30,42,54,57,77,85,89,92,93,134,140,153,159,164,166,223,226,245,247,279,292,311,326,335,337,351,353,359,361,369,381,393,442,446,461,466,476,508,513,515,550,562,570,573,586,601,626,631,640,661,683,689,718,719,743,748,789,823,836,860,888,899,936,941,950,968,970,974,978 +0397_00037 15,16,17,21,30,40,89,92,93,97,134,153,177,180,195,200,220,226,238,245,269,278,279,300,328,330,335,347,351,353,355,361,369,381,413,419,438,442,461,471,476,493,500,508,511,515,523,529,533,550,555,557,562,588,591,626,640,648,651,661,676,683,700,711,719,748,750,759,780,782,798,811,824,827,858,870,872,918,935,936,947,968,970,971,974,994,996,1004,1006,1015 +0397_00038 9,15,17,30,35,85,89,93,112,134,153,159,197,200,216,220,223,226,245,300,311,326,335,347,351,353,359,361,369,381,438,442,446,461,470,476,493,508,513,514,515,533,550,554,557,562,570,573,600,602,626,640,676,683,689,705,719,728,743,748,759,765,772,836,861,866,899,935,936,965,968,970,974,978 +0397_00042 20,85,89,93,118,119,134,138,151,153,161,179,200,202,213,216,219,239,260,300,310,311,318,319,326,347,351,360,394,414,442,461,471,477,493,502,508,544,550,557,562,590,602,606,620,626,634,635,637,640,657,665,676,681,689,719,725,727,733,743,767,809,814,815,817,844,877,897,898,924,927,931,936,947,954,966,968,974,1003 +0397_00046 42,54,57,58,77,85,89,92,93,134,140,153,164,166,200,220,223,227,245,247,260,279,292,300,311,320,326,335,337,347,351,353,393,423,442,446,460,461,463,466,493,508,513,515,533,550,557,562,564,570,573,586,601,619,626,631,640,661,683,689,691,718,719,743,748,789,812,823,860,876,888,899,927,936,941,948,950,968,974,978,1016 +0397_00047 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0397_00048 15,16,17,21,30,58,89,92,93,134,153,177,195,200,220,226,245,247,260,269,278,279,298,300,321,330,335,337,347,351,353,361,369,381,419,423,438,442,461,471,476,493,500,508,511,515,523,529,533,550,555,557,562,588,591,626,635,640,648,651,661,676,683,691,700,719,748,750,759,785,798,808,811,827,872,918,927,935,936,947,948,968,970,974,994,996,1006,1015 +0397_00049 15,16,17,26,58,89,93,105,134,197,200,220,245,247,260,263,283,300,326,328,335,337,347,353,358,379,387,423,438,461,463,493,500,508,515,529,533,557,562,600,602,626,640,661,676,683,691,705,707,719,748,750,752,759,795,797,798,807,826,827,835,903,918,922,927,935,936,947,948,963,968,970,974,1006,1007 +0397_00050 15,23,44,58,73,89,93,128,129,134,153,175,177,200,220,226,241,245,247,260,264,279,290,298,300,316,320,321,322,334,337,344,347,351,353,369,381,423,442,444,446,456,461,471,476,483,486,493,503,504,508,511,515,532,533,534,540,550,555,557,562,626,635,640,651,661,683,686,691,700,719,720,782,785,787,793,796,808,864,927,936,948,962,968,974,994,1015 +0397_00051 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0397_00052 15,16,17,21,30,85,89,92,134,153,195,200,216,220,226,229,245,269,278,300,311,323,326,330,335,347,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,703,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0397_00053 20,26,73,76,85,86,89,93,119,134,138,139,151,153,165,186,200,212,216,239,253,260,263,271,300,310,311,318,326,347,351,360,394,442,444,451,457,461,467,471,485,493,508,517,550,557,562,568,590,602,609,620,626,631,635,640,674,676,689,703,719,727,733,735,743,762,817,829,877,897,927,936,947,952,966,968,974,1003,1006 +0397_00054 42,54,57,77,85,89,92,93,134,139,140,153,164,166,223,245,247,279,292,311,326,335,337,351,353,393,442,446,460,461,466,499,508,513,515,550,562,570,573,586,601,619,620,626,631,640,661,676,683,689,718,719,733,743,748,789,823,860,888,899,936,941,947,950,968,974,978,1016 +0397_00055 20,42,84,85,89,93,94,134,153,154,169,196,197,200,211,216,220,224,228,245,259,266,300,311,326,347,351,353,362,390,405,408,442,456,458,461,487,493,508,515,533,550,557,562,600,602,626,640,661,681,683,689,705,719,727,732,735,743,748,765,781,827,831,884,897,908,934,936,942,954,968,974,980,1006,1022 +0397_00056 20,42,44,51,85,89,93,94,123,134,153,169,170,176,180,196,197,200,211,216,220,245,258,272,300,311,326,347,351,353,408,412,418,442,456,458,461,470,480,487,493,508,515,533,550,557,562,575,591,602,626,640,654,661,667,675,683,689,697,705,719,727,743,748,765,781,827,853,873,897,936,968,974,1022 +0397_00057 15,23,26,85,89,93,128,134,153,195,200,216,220,226,241,245,260,269,300,311,316,320,326,335,347,351,353,361,369,379,381,438,442,461,476,486,493,500,508,515,527,533,550,557,562,602,626,640,661,683,686,687,689,697,719,743,748,753,793,797,798,811,827,835,918,922,936,968,970,974,1007 +0397_00058 15,17,57,73,89,129,134,145,226,228,231,245,332,334,353,369,381,444,461,476,490,491,503,508,515,529,533,534,550,573,594,596,607,626,640,661,668,676,683,702,735,750,759,831,888,936,947,951,968,997 +0397_00059 15,16,17,21,30,85,89,92,93,134,153,195,200,216,220,226,245,269,278,300,311,326,330,335,347,351,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,602,626,640,648,661,676,683,689,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0397_00061 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0397_00063 9,15,23,30,85,89,93,128,134,153,159,200,216,220,223,226,241,243,245,260,300,311,316,320,326,335,347,351,353,359,361,369,381,438,442,446,461,469,476,486,493,508,513,515,533,550,554,557,562,570,573,602,626,640,661,683,686,687,689,719,736,743,748,772,793,827,836,899,936,968,970,974,978,1017 +0397_00065 20,21,32,58,73,85,89,133,134,141,145,146,147,148,153,198,200,216,226,247,260,262,267,270,281,300,304,311,321,326,330,337,347,353,360,369,371,381,423,428,430,442,461,467,476,490,493,508,515,543,550,551,562,590,598,599,601,626,640,645,680,691,711,712,717,719,727,735,737,740,762,768,786,817,822,825,835,845,850,902,906,927,929,936,948,958,961,968,974,994 +0397_00067 15,38,40,89,134,138,144,153,156,158,245,262,277,291,326,338,347,357,362,373,410,420,434,437,438,461,469,471,483,508,511,513,515,534,540,549,570,584,596,616,626,627,683,744,748,768,778,798,828,878,899,907,927,942,948,968,977,979 +0397_00068 4,15,16,17,21,30,58,89,92,93,134,153,177,200,201,220,226,245,247,260,269,272,278,279,298,300,321,330,335,337,347,351,353,385,419,423,438,442,461,471,493,500,508,511,515,523,529,533,549,550,555,557,562,591,626,635,640,648,651,661,662,666,676,683,691,700,705,707,719,748,750,759,778,785,798,808,811,827,858,872,918,927,935,936,947,948,968,974,979,994,996,1006,1015 +0397_00069 9,15,23,58,89,93,128,134,139,153,177,200,220,223,241,243,245,247,260,279,298,300,316,320,321,335,337,347,351,353,423,438,442,446,461,469,471,486,493,499,508,511,513,515,533,550,554,555,557,562,570,573,619,620,626,635,640,651,661,676,683,686,687,691,700,719,733,736,748,785,793,808,827,899,927,936,947,948,968,974,978,994,1015,1016,1017 +0397_00070 15,16,17,21,30,85,89,92,93,134,153,200,216,219,220,245,278,300,311,326,330,335,347,350,351,353,395,419,438,442,461,493,499,500,508,515,523,529,533,550,557,562,602,620,626,640,648,661,676,683,689,719,733,743,748,750,759,780,798,827,872,918,935,936,947,968,974,996,1006 +0397_00072 4,17,21,23,26,79,85,89,93,122,134,148,151,153,160,197,200,212,216,220,260,300,303,304,311,320,326,347,351,353,383,405,442,461,486,493,515,533,549,550,557,562,602,618,626,640,650,676,686,689,705,709,712,719,743,778,792,804,813,825,850,869,870,875,936,948,968,974,1005 +0397_00073 20,42,84,85,89,93,94,134,153,154,169,196,197,200,211,216,220,224,228,245,259,266,300,311,326,347,351,353,362,390,405,408,442,456,458,461,487,493,508,515,533,550,557,562,602,626,640,661,681,683,689,705,719,727,732,735,743,748,765,781,827,831,884,897,908,934,936,942,954,968,974,980,1006,1022 +0397_00074 15,16,17,21,30,58,89,92,134,195,200,220,226,244,245,247,260,269,300,330,335,337,347,353,361,369,381,419,423,438,461,463,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,691,719,748,750,759,798,811,827,872,918,927,935,936,947,948,968,970,974,996,1006 +0397_00075 9,13,15,26,85,89,90,128,134,139,153,154,172,180,187,200,220,223,241,243,245,260,311,316,320,326,327,335,347,351,353,398,438,442,445,446,461,467,469,479,486,490,493,499,508,513,515,550,554,557,570,573,576,597,602,619,620,626,634,637,640,661,676,683,687,711,719,733,736,743,747,748,782,793,827,855,897,899,936,947,948,968,974,978,980,989,1016,1017 +0397_00076 15,16,17,21,30,58,89,92,93,134,153,177,200,219,220,245,247,260,278,279,298,300,321,330,335,337,347,350,351,353,395,419,423,438,442,461,471,493,499,500,508,511,515,523,529,533,550,555,557,562,620,626,635,640,648,651,661,676,683,691,700,719,733,748,750,759,780,785,798,808,827,872,918,927,935,936,947,948,968,974,994,996,1006,1015 +0397_00079 4,10,20,94,96,112,134,145,177,222,252,283,304,353,469,487,500,508,509,510,550,551,626,640,675,689,727,850,968,991,992 +0397_00080 9,15,23,85,89,93,128,134,139,153,200,216,220,223,241,243,245,260,300,311,316,320,326,335,347,351,353,438,442,446,461,469,486,493,499,508,513,515,533,550,554,557,562,570,573,602,619,620,626,640,661,676,683,686,687,689,719,733,736,743,748,793,827,899,936,947,968,974,978,1016,1017 +0397_00082 4,9,15,23,30,58,89,93,98,128,134,153,177,197,200,220,223,241,243,245,247,260,279,298,300,303,316,320,321,335,337,347,351,353,359,385,423,438,442,446,461,469,471,486,493,508,511,513,515,533,549,550,554,555,557,562,570,573,618,626,635,640,651,661,683,686,687,691,700,705,709,719,736,748,772,778,783,785,793,808,827,899,927,936,948,968,970,974,978,994,1015,1017 +0397_00084 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 +0397_00088 4,13,15,44,58,73,85,89,90,128,129,134,153,175,180,187,197,200,216,220,241,245,247,260,264,290,300,303,311,316,320,322,326,334,337,344,347,351,353,418,423,442,444,445,446,456,461,463,467,483,486,493,504,508,515,532,534,540,549,550,562,590,597,602,618,626,640,661,683,691,705,709,711,719,720,743,747,778,787,793,796,817,822,864,927,936,948,962,968,974,980,1023 +0397_00090 12,17,18,20,49,85,89,93,101,105,134,138,141,153,164,174,178,197,200,216,220,270,281,282,300,302,311,326,347,351,442,461,493,508,515,530,533,550,557,562,563,580,602,613,620,624,626,632,640,676,689,705,719,727,728,733,743,765,772,786,805,909,929,936,947,968,970,974,1020,1021 +0397_00091 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0397_00092 38,42,53,84,85,89,134,153,201,203,213,228,243,245,270,283,310,311,326,335,347,351,353,362,363,397,408,414,420,442,447,461,481,487,493,508,515,518,538,550,552,555,562,601,626,640,661,683,689,706,719,743,774,781,799,823,827,831,884,908,936,955,968,974,980,1009 +0397_00093 7,20,21,26,27,70,86,89,93,96,119,134,139,141,145,153,165,177,193,200,216,239,253,260,271,279,293,300,304,310,318,320,326,331,347,351,360,364,381,421,442,444,451,461,471,479,483,487,491,493,508,517,544,550,551,555,562,590,626,642,663,674,679,686,703,717,719,727,735,737,739,741,817,825,829,840,850,855,877,911,927,936,968,974,1003,1006,1010 +0397_00094 4,91,134,153,175,201,207,226,270,281,326,347,353,408,515,548,549,550,576,626,640,666,705,706,717,764,778,808,816,823,858,914,948,968,989,1008 +0397_00096 5,10,15,26,54,58,89,98,125,134,174,245,260,266,281,318,341,400,448,451,452,458,461,473,499,508,534,557,590,593,598,602,624,626,630,649,656,746,747,761,785,806,814,816,857,904,936,948,951,964,968,1009,1018 +0397_00097 38,42,53,55,84,85,89,134,153,201,203,213,228,243,245,270,283,310,311,326,335,347,351,353,362,363,408,414,420,442,447,461,481,487,493,508,515,518,538,550,552,555,562,601,626,640,661,683,689,706,719,743,774,781,799,823,827,831,884,908,936,955,968,974,980,1009 +0397_00098 7,12,15,26,47,48,56,58,80,83,85,89,99,108,134,146,148,177,194,200,209,213,216,222,224,237,245,247,260,274,278,300,337,347,350,380,381,393,415,420,423,461,462,493,495,499,508,513,531,561,562,567,568,569,580,590,605,610,613,626,675,691,715,719,744,757,772,776,801,819,822,850,855,861,869,879,893,916,924,927,928,934,936,948,959,968,971,974,978,1012 +0397_00099 15,33,66,83,85,89,93,114,134,153,200,215,216,220,240,245,256,260,272,290,300,311,316,320,326,335,347,351,364,442,461,481,490,493,505,508,515,532,533,548,549,550,557,562,602,626,654,666,686,689,694,699,707,717,719,743,778,782,801,812,827,925,936,948,950,958,968,974,980,1006,1022 +0397_00102 4,5,15,20,26,35,39,60,64,71,74,78,80,81,85,89,93,120,144,153,160,182,200,216,222,224,260,261,266,267,277,278,285,300,307,311,312,314,326,330,334,345,347,351,361,400,430,434,442,461,480,493,499,507,517,531,545,550,552,556,557,562,569,573,585,590,591,602,605,619,626,656,663,681,689,698,718,719,743,757,762,772,773,819,822,834,850,876,915,926,936,948,951,963,964,974,977,999,1023 +0397_00103 17,20,21,93,101,128,133,134,141,148,226,304,339,353,369,371,381,430,476,508,515,550,551,598,626,637,640,657,676,706,712,727,735,825,850,884,905,947,951,968,1011 +0397_00104 14,15,20,26,34,40,58,77,89,134,144,173,193,203,216,222,228,230,232,245,246,247,260,286,287,311,323,342,356,373,410,424,446,461,471,508,514,519,534,567,584,609,626,629,651,695,711,768,774,779,798,799,814,819,829,839,855,897,906,909,936,948,964,968,977,1000,1006,1023 +0397_00105 15,20,54,58,74,89,115,116,123,134,153,200,207,217,220,225,241,245,256,274,275,293,295,300,312,326,345,347,367,390,395,410,420,452,461,466,468,505,508,534,538,540,570,576,593,620,621,626,630,648,656,672,686,694,727,746,762,767,770,777,814,815,825,857,871,875,923,926,948,968,987,1002,1008,1018,1022 +0397_00106 2,5,15,26,54,58,60,89,116,125,134,147,198,207,220,222,245,274,285,333,422,424,438,447,448,461,473,499,508,534,540,593,626,631,646,648,656,697,701,772,775,795,828,834,909,936,948,952,964,968,979,1009,1018 +0397_00107 1,7,13,15,20,26,27,30,35,39,56,58,65,85,89,93,103,116,118,119,123,134,139,147,151,153,155,177,200,216,222,224,247,250,260,261,274,279,281,285,293,300,311,321,326,337,347,351,367,400,401,410,423,432,442,454,458,461,463,467,471,473,480,481,489,493,497,499,505,508,552,554,555,557,562,584,590,594,614,626,631,635,651,656,659,675,681,691,700,706,711,712,718,719,727,736,747,750,762,772,780,781,791,800,802,817,818,819,822,827,831,835,845,855,856,899,916,927,936,948,956,958,968,974,984,994,1015 +0397_00111 15,16,19,26,30,58,59,60,68,87,89,95,110,116,118,134,139,153,157,178,214,215,222,233,245,266,277,285,303,309,326,337,432,447,461,496,498,499,504,508,529,536,592,593,626,656,677,683,711,727,736,772,817,822,831,850,916,925,936,948,995,1003,1012,1022 +0397_00112 4,20,94,120,134,141,160,164,177,188,304,347,349,368,401,437,469,508,510,515,549,551,626,705,727,744,778,803,825,850,931,948,968 +0397_00113 15,54,66,119,124,134,144,153,192,207,208,209,245,273,291,292,347,373,390,400,421,426,438,452,453,461,483,489,508,515,521,531,544,568,616,626,642,694,699,717,732,744,748,800,802,808,842,843,871,942,948,968,969,977,1001,1008,1012 +0397_00115 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0397_00116 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0397_00117 42,94,119,134,144,153,192,207,208,235,245,262,265,292,347,373,390,399,400,437,442,452,453,455,461,489,508,531,542,544,549,552,568,626,642,650,657,659,717,744,748,777,778,794,800,802,808,833,842,871,929,942,948,953,968,969,977,997,1012 +0397_00118 15,23,26,56,60,80,85,89,94,102,134,156,177,205,209,222,224,245,249,252,262,283,285,299,301,340,347,401,413,420,424,458,461,489,495,497,499,508,513,531,560,567,568,569,606,609,626,690,772,797,801,818,819,834,846,851,855,859,861,866,893,915,919,936,948,964,968,987,1011,1012 +0397_00120 5,14,15,20,26,85,87,89,93,96,106,113,119,134,141,145,147,153,200,216,248,260,261,300,304,311,321,326,347,351,360,367,368,421,442,447,456,461,471,487,491,493,499,508,513,515,518,550,551,557,562,574,590,602,625,626,641,657,663,674,687,689,717,719,727,737,741,743,748,749,817,819,822,825,829,850,855,881,911,927,936,948,949,960,968,974,1010 +0397_00122 7,15,20,26,27,30,39,55,56,58,80,85,89,93,103,116,118,123,134,139,153,155,177,184,193,200,216,222,224,245,247,250,260,272,274,279,281,285,293,297,300,311,321,326,337,347,351,379,401,410,423,430,432,442,454,458,461,463,467,471,473,480,481,493,497,499,505,508,522,524,535,554,555,557,562,585,586,590,594,614,626,631,635,651,656,659,675,681,682,691,699,700,706,711,712,719,727,736,747,762,772,780,791,802,812,817,819,822,827,831,835,845,855,856,916,927,928,936,942,948,956,958,968,974,980,984,994,1015 +0397_00123 20,21,29,37,53,68,93,134,141,148,163,226,298,304,330,353,354,361,369,371,381,430,476,508,515,550,551,578,598,626,637,640,676,712,713,727,735,825,850,905,947,952,955,968 +0397_00125 60,96,129,134,145,278,300,304,421,481,487,491,508,514,550,578,627,741,825,829,850,881,968,1010 +0397_00129 4,8,15,17,57,73,85,89,94,129,134,145,153,201,226,231,245,256,283,311,326,332,334,347,353,374,421,422,442,461,472,486,490,491,498,508,515,529,533,534,536,548,549,550,573,594,596,602,607,626,637,640,661,666,668,669,676,683,705,735,750,759,778,820,831,858,888,923,936,947,948,951,968,982,994,997 +0397_00131 3,5,15,21,26,83,85,89,97,104,107,131,134,144,146,188,197,209,220,238,245,247,260,276,307,310,347,402,407,460,461,487,499,501,508,549,560,573,613,626,666,676,685,686,697,709,710,712,715,743,757,759,767,778,823,839,862,909,929,932,936,948,964,968,974,984,1009 +0397_00133 3,5,15,21,26,83,85,86,89,107,131,134,144,188,197,209,220,229,245,260,307,310,347,402,407,461,499,501,504,508,534,540,549,560,573,638,639,666,673,676,685,686,709,710,712,715,743,767,778,797,823,862,871,904,909,921,929,932,948,964,968,984,1009 +0397_00137 15,20,26,40,41,56,60,85,89,93,94,116,134,140,146,153,161,172,174,177,200,209,216,222,223,230,234,245,260,262,271,272,285,296,298,300,302,311,320,326,345,347,351,381,382,392,413,420,424,442,447,461,467,471,475,485,490,493,495,499,504,508,512,513,517,557,561,562,567,568,569,580,584,590,602,606,609,610,621,626,688,689,706,707,711,719,727,741,743,748,761,762,772,841,851,855,856,859,861,879,881,886,893,910,919,925,926,927,936,948,954,962,964,968,974,978,982,987,990,998,1012 +0397_00138 15,20,31,66,89,94,134,153,161,165,172,184,196,245,254,302,309,312,438,453,480,508,515,522,611,626,630,701,717,727,760,772,786,804,815,850,917,938,948,994,1022 +0397_00141 15,20,26,40,44,45,51,58,85,89,93,129,134,147,153,160,165,178,193,197,200,216,222,228,237,260,285,286,300,311,326,332,334,335,346,347,351,410,418,420,442,445,454,455,461,467,468,482,493,497,499,508,523,530,554,557,562,580,583,590,593,597,602,617,621,626,656,668,679,681,683,689,690,711,712,719,727,730,743,747,750,762,772,778,780,807,812,834,845,900,909,934,936,940,948,949,973,974,984 +0397_00142 15,26,40,41,56,60,85,89,94,116,134,140,146,161,164,172,174,177,209,222,234,245,260,262,272,285,296,298,302,320,347,381,382,392,413,420,424,432,447,454,461,467,471,485,490,495,499,504,508,512,513,517,529,561,567,568,569,580,606,609,610,626,706,707,719,741,748,761,772,841,851,855,859,861,878,879,893,910,919,926,927,936,948,954,962,964,968,974,978,987,990,994,998,1012 +0397_00144 4,15,17,44,73,89,129,134,175,197,245,264,290,303,322,334,344,347,353,423,444,446,456,461,463,483,508,515,529,532,534,540,549,550,618,626,640,661,676,683,705,709,735,750,752,759,778,787,796,864,947,948,962,968,979,1023 +0397_00146 5,15,20,26,35,39,60,64,71,78,80,81,85,89,93,120,144,153,196,200,216,222,224,260,261,266,267,277,278,285,299,300,307,311,314,326,330,345,347,351,361,370,373,412,418,430,434,442,445,461,467,473,480,493,499,507,517,531,545,550,552,556,557,562,566,573,590,591,597,602,619,621,626,654,656,663,681,689,698,711,718,719,743,747,757,762,772,794,819,820,822,835,838,850,876,936,948,954,964,974,977,999,1003,1010,1023 +0397_00147 4,15,63,73,89,134,164,173,189,204,219,245,261,277,282,290,293,296,332,347,437,445,461,470,486,508,515,516,522,549,551,561,566,594,616,618,626,642,670,705,711,744,764,778,803,814,856,906,908,910,936,948,955,962,968,970,973,980,998,1012,1023 +0397_00151 15,16,19,26,58,61,69,85,89,93,110,116,134,146,153,200,219,222,233,237,245,250,272,274,285,295,298,300,311,321,326,337,347,351,359,360,372,407,413,432,433,442,444,461,493,498,499,508,515,544,562,566,593,602,609,626,656,689,697,701,719,728,730,731,743,772,778,786,826,877,936,948,959,968,974,979,986,994,998,999,1008,1012,1022,1023 +0397_00153 9,13,15,25,26,43,48,56,58,75,80,85,89,134,177,194,197,198,200,216,222,224,228,245,247,255,260,274,300,317,318,337,338,347,348,357,389,404,405,423,451,452,461,493,495,499,506,508,514,515,544,561,562,568,580,590,605,610,626,642,661,662,691,692,717,719,730,750,755,767,772,801,806,822,845,855,861,904,927,935,936,948,950,953,968,974,977,1022 +0397_00155 2,15,26,36,48,49,60,76,85,87,89,96,125,134,144,149,153,161,189,193,207,220,222,236,238,245,249,267,282,285,318,323,326,327,369,375,380,399,408,411,420,452,461,499,508,533,534,540,555,566,571,577,594,598,603,606,609,613,626,656,665,672,689,753,772,789,801,802,823,829,848,860,890,896,909,920,931,936,942,943,948,949,964,968,984,1015 +0397_00156 12,13,26,42,89,102,119,134,144,153,164,192,227,245,261,274,293,319,326,347,370,400,452,455,461,498,499,508,515,544,554,555,566,568,573,585,625,642,657,671,717,741,744,748,763,774,794,796,800,829,830,948,968,997,1020 +0397_00161 15,25,26,30,49,58,59,60,87,89,119,133,134,139,153,157,208,214,215,222,233,245,266,285,309,326,360,421,432,438,447,450,452,461,498,499,504,508,529,536,539,554,592,593,604,626,627,642,656,717,729,772,782,811,831,850,852,887,913,936,948,968,1010,1022 +0397_00165 2,15,26,35,54,60,76,85,87,89,92,96,114,125,134,146,153,161,177,184,193,196,207,220,222,236,245,267,285,323,326,369,371,380,401,420,444,452,459,461,486,491,499,508,534,540,555,565,577,594,603,614,618,621,626,655,656,665,672,675,689,723,729,758,772,789,801,802,808,848,851,855,860,890,909,931,948,950,963,968,974,984,1004,1009,1015 +0397_00166 15,23,26,40,41,56,60,80,85,89,94,116,134,140,146,161,164,174,177,205,209,222,224,234,245,249,260,262,283,285,298,299,301,347,381,382,392,413,420,424,432,454,458,461,467,471,485,489,490,495,497,499,508,512,513,529,531,567,568,569,606,609,626,706,707,719,741,748,772,797,801,819,834,851,855,859,861,866,878,893,910,915,919,936,948,962,964,968,974,987,994,998,1011,1012 +0397_00168 15,22,69,89,96,134,145,219,245,304,347,368,416,418,421,452,460,461,466,487,491,508,513,525,534,540,549,550,568,573,616,703,723,741,763,778,786,825,829,850,945,948,968,1010,1011,1012 +0397_00170 26,42,89,94,119,134,144,153,164,245,262,265,293,347,370,400,437,442,452,455,461,498,499,508,531,542,544,549,552,554,555,568,573,642,650,657,659,717,741,744,748,777,778,794,800,829,830,833,842,871,921,929,948,953,968,997,1012 +0397_00179 15,44,73,89,111,123,128,129,134,200,245,259,260,264,290,316,322,324,334,347,353,425,446,456,461,483,505,508,515,534,540,549,550,620,626,640,661,676,683,720,733,778,787,796,798,801,827,864,947,948,951,962,968 +0397_00180 4,12,15,20,62,67,79,91,101,105,126,134,145,153,154,175,201,207,225,226,231,270,280,281,282,283,312,337,347,353,387,390,408,508,511,515,530,549,550,626,635,640,657,666,705,706,711,727,778,779,786,826,858,948,968,994 +0397_00182 15,21,56,59,89,102,134,220,245,274,300,312,326,329,374,386,401,407,408,410,446,456,461,473,508,534,553,574,591,599,630,635,644,649,656,676,692,717,735,742,767,849,886,904,914,933,943,948,950,960,968,987,1022 +0397_00185 15,20,23,26,40,56,60,80,85,89,94,134,140,146,150,174,177,200,209,222,223,224,245,247,249,254,260,262,283,285,298,301,345,347,353,381,382,420,424,428,458,461,463,471,489,490,495,499,508,513,521,531,549,557,567,568,569,601,606,609,612,626,651,664,704,706,718,719,727,741,762,772,783,801,819,851,855,861,866,868,872,880,883,886,893,915,919,925,936,948,964,968,974,982,987,993,997,998,1011,1012 +0397_00186 15,20,26,27,35,47,48,60,80,83,85,89,93,94,134,153,180,193,200,205,216,222,224,240,246,260,268,274,278,279,285,297,300,311,315,326,347,351,367,385,422,432,442,447,461,473,474,480,481,482,484,493,499,508,532,538,540,557,562,569,570,589,590,597,602,626,641,656,680,684,686,689,696,699,700,719,720,727,743,747,755,772,819,824,906,915,916,936,938,948,968,972,974,1023 +0397_00188 20,36,64,109,119,153,278,319,361,419,451,508,530,537,577,627,663,698,739,756,757,762,850,896,948,1014 +0397_00189 12,15,26,40,41,48,56,60,80,83,85,89,94,116,134,140,146,161,164,174,177,194,209,222,224,234,245,249,260,262,274,283,285,298,347,381,382,392,413,420,424,432,454,461,467,471,485,490,495,499,508,512,513,529,561,567,568,569,605,606,609,610,626,706,707,719,741,748,772,801,851,855,861,869,878,879,893,910,915,919,924,928,936,948,962,964,968,974,978,987,994,998,1011,1012 +0397_00190 15,26,30,71,72,75,76,89,119,134,137,142,151,179,193,222,245,251,272,275,288,293,298,316,323,327,332,344,350,358,374,392,400,402,452,461,467,499,508,534,540,563,568,573,574,586,603,631,635,656,692,699,721,733,747,754,772,778,793,794,805,810,829,870,871,894,906,907,947,948,950,963,968,1001 +0397_00191 15,21,26,89,102,121,134,143,207,220,222,237,245,274,300,312,329,368,401,407,410,444,446,456,461,508,534,538,576,580,584,607,634,644,649,658,676,717,718,735,739,742,761,776,782,829,920,943,948,950,968,987,992,996,1022 +0397_00193 4,20,69,95,124,134,141,148,153,158,201,226,257,304,347,353,362,487,508,515,517,549,550,551,557,578,626,640,644,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0397_00194 15,16,19,26,58,61,69,89,110,116,134,139,153,219,222,233,237,245,250,272,274,285,295,326,337,359,360,372,413,432,433,461,498,499,508,544,585,587,593,626,645,656,697,728,730,731,772,778,786,877,948,954,968,998,999,1008,1012,1022,1023 +0397_00196 12,15,22,26,42,81,89,106,119,134,153,168,222,237,245,260,261,269,272,275,281,282,283,293,337,341,358,402,404,413,452,460,461,466,467,499,508,517,534,584,602,626,641,642,651,665,727,747,751,778,786,841,855,915,918,948,950,964,968,981,986,1013 +0397_00199 15,20,21,26,27,30,58,60,76,80,83,89,94,97,119,134,139,153,161,180,187,193,200,216,218,222,224,242,247,250,252,260,268,274,279,285,297,300,326,337,347,351,363,367,384,385,401,410,413,418,423,430,432,456,461,467,473,480,482,493,499,508,528,535,540,550,562,570,588,590,615,626,633,641,656,665,682,684,689,691,699,700,711,719,727,743,747,755,758,772,782,783,792,812,817,819,822,824,831,858,878,906,916,927,936,938,942,948,964,968,974,1004 +0397_00201 12,15,20,24,26,40,41,48,56,60,65,80,83,85,89,94,116,134,140,146,161,164,174,177,194,209,222,223,224,234,245,249,260,262,274,283,285,298,345,347,381,382,392,393,413,420,424,461,467,471,485,490,495,499,502,508,512,513,561,567,568,569,605,606,609,610,626,665,688,706,707,719,727,741,748,762,772,801,851,853,855,861,869,878,879,886,893,910,915,919,924,925,928,936,948,962,964,968,974,978,982,987,998,1011,1012 +0397_00202 15,43,54,55,58,89,109,126,134,187,220,245,272,274,300,375,410,461,508,533,534,538,585,593,630,648,656,725,729,753,761,767,772,779,794,871,892,894,939,948,961,964,968,987,994,1008,1018,1022 +0397_00206 20,77,93,96,134,141,145,161,176,298,304,312,373,421,487,491,508,550,551,599,637,727,741,804,825,829,850,897,898,911,968,1010 +0397_00207 3,15,31,36,38,54,58,70,89,134,187,233,243,245,306,377,419,448,461,467,498,508,534,593,646,648,656,763,772,804,814,828,909,920,961,964,1009,1018,1022 +0397_00208 15,21,28,41,89,122,134,146,171,182,190,191,220,228,245,252,260,367,378,392,423,461,476,482,487,500,508,550,583,602,610,616,647,654,676,683,711,725,730,774,781,788,798,808,827,842,846,933,943,948,968,997,1012 +0397_00209 4,12,13,15,20,62,67,79,91,126,134,145,153,154,175,201,207,225,226,231,270,280,281,282,283,312,337,347,353,387,390,399,408,508,511,515,530,549,550,556,626,635,640,657,666,705,706,711,727,755,778,779,781,786,826,858,948,968,994 +0397_00210 15,20,26,54,66,89,119,124,134,153,166,209,239,245,260,280,291,347,355,400,419,421,438,452,461,479,483,487,489,499,507,508,515,521,523,530,531,544,568,573,616,642,653,664,694,699,717,725,726,732,744,748,757,762,800,801,829,842,843,850,871,872,948,968,976,1001,1008,1012 +0397_00212 15,25,26,44,72,89,103,134,141,143,148,169,178,184,205,222,237,245,255,288,300,315,351,357,383,392,399,472,492,499,508,513,540,566,603,683,690,693,755,759,765,768,772,787,793,801,809,816,836,841,850,948,949,960,968,995,1000,1019,1022 +0397_00213 4,12,18,20,21,62,64,69,91,94,101,134,137,145,153,154,172,175,201,226,270,281,283,312,337,347,353,408,481,496,508,515,530,549,550,551,617,623,626,640,666,705,706,711,727,778,786,826,850,855,858,891,915,948,968,994 +0397_00215 4,5,7,13,15,22,25,26,39,44,58,60,63,71,77,85,89,92,97,106,114,134,143,144,151,154,200,204,208,212,214,216,222,247,255,260,267,274,285,299,300,337,347,351,355,372,374,377,382,402,423,443,450,460,461,467,472,473,482,488,493,496,499,514,517,519,532,539,540,562,566,575,576,590,602,607,616,621,622,626,656,666,685,691,697,711,714,719,748,762,765,772,782,785,801,809,816,817,818,822,829,832,849,853,878,883,896,911,927,936,948,954,964,966,968,974,1004,1012,1019 +0397_00217 15,25,26,44,47,58,60,63,71,77,85,89,134,144,146,151,153,154,200,204,212,214,216,222,247,260,274,275,285,299,300,302,311,318,323,326,337,347,357,377,381,402,418,423,442,454,456,460,461,467,472,473,482,493,496,499,517,519,537,539,540,542,554,562,566,583,590,602,616,622,626,632,654,656,685,691,692,700,701,711,714,719,747,748,755,772,801,816,817,822,829,832,835,840,845,849,853,895,911,927,936,948,964,968,974,982,1012,1017 +0397_00219 15,21,25,26,40,41,89,134,146,169,178,190,222,228,237,245,252,260,316,351,382,428,458,461,465,473,484,499,500,508,550,583,652,654,676,677,683,694,711,730,788,798,827,842,846,919,933,937,943,948,968,979,988,1012,1022 +0397_00222 5,15,20,21,26,27,30,60,80,83,89,94,115,134,139,153,161,193,222,224,242,250,268,274,279,285,297,311,326,351,384,385,390,398,401,430,432,473,480,482,499,502,508,535,550,570,626,641,656,665,682,689,699,700,727,743,747,755,772,776,777,783,792,812,819,831,878,906,916,936,942,948,964,968 +0397_00223 5,15,20,26,27,35,48,60,80,83,89,94,134,180,193,213,222,224,240,246,268,274,278,279,285,297,311,351,385,419,422,432,442,447,473,474,480,481,482,499,502,508,540,552,556,569,570,589,597,626,641,651,656,680,686,696,699,700,719,720,727,743,747,752,755,772,819,906,915,916,936,948,968 +0397_00224 15,20,27,65,67,89,94,110,114,125,134,135,142,193,220,242,245,260,458,472,487,508,517,531,539,603,604,626,687,692,719,726,727,755,762,772,848,849,850,946,948,961,964,1022 +0397_00226 4,12,13,15,20,62,67,79,91,126,134,145,153,154,175,201,207,225,226,231,270,280,281,282,283,312,337,347,353,387,390,399,408,508,511,515,530,549,550,556,626,635,640,657,662,666,705,706,711,727,755,778,779,781,786,826,858,948,968,994 +0397_00228 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 +0397_00229 15,25,26,44,47,58,60,63,71,77,85,89,93,134,144,146,151,153,154,200,204,212,214,216,222,260,274,285,300,311,315,318,326,347,351,357,377,381,402,442,456,460,461,472,473,482,493,496,499,517,519,537,539,540,542,557,562,566,583,590,602,616,622,626,654,656,685,689,692,700,701,711,714,719,743,748,755,772,801,816,829,832,840,849,853,885,911,936,948,964,968,974,1012 +0397_00231 5,15,25,26,44,58,60,63,71,77,85,89,92,104,134,144,151,154,204,212,214,222,243,260,274,285,351,368,374,377,388,402,419,447,450,460,461,472,473,482,489,496,499,517,519,539,540,566,602,607,616,622,626,656,685,711,714,741,748,772,801,810,816,818,829,832,849,853,855,896,911,936,948,964,968,1004,1012 +0397_00233 13,20,42,64,102,119,134,153,192,227,239,245,260,261,274,280,319,326,347,361,400,419,452,455,461,507,508,515,523,530,537,544,566,568,585,625,642,657,663,664,671,698,717,724,744,748,756,757,762,763,774,794,796,800,801,847,850,872,896,948,968,997,1014,1020 +0397_00235 15,20,54,64,66,119,124,134,153,209,239,245,260,280,291,347,361,400,419,421,438,452,461,479,483,507,508,515,521,523,530,531,537,544,568,616,642,663,664,694,698,699,717,732,744,748,756,757,762,800,801,842,843,847,850,871,872,896,948,968,1001,1008,1012,1014 +0397_00238 4,5,6,11,15,20,26,35,55,58,60,80,89,94,97,115,193,213,219,222,224,246,247,250,260,262,285,287,311,322,336,401,415,419,454,463,482,495,499,502,503,508,509,517,552,556,570,593,626,651,656,684,696,727,747,751,752,762,769,772,795,826,837,858,873,916,919,936,948,964,990 +0397_00239 5,15,20,21,26,27,35,60,80,83,89,94,134,161,193,213,222,224,242,246,250,268,274,279,285,297,311,351,384,385,401,419,430,432,473,480,482,499,502,508,550,552,556,570,597,626,641,651,656,682,689,696,699,700,727,743,747,752,755,772,783,792,812,819,878,906,916,936,942,948,964,968 +0397_00240 5,15,20,26,27,32,35,56,60,80,89,94,103,116,123,134,155,184,193,213,222,224,230,246,250,260,274,285,297,311,351,401,419,430,432,458,463,473,480,481,482,499,502,508,552,556,567,570,585,586,597,626,651,656,682,696,699,700,712,727,747,752,772,780,812,855,916,918,928,936,948,964,968 +0397_00241 15,26,45,54,55,59,62,79,89,134,151,153,202,209,220,267,270,272,282,283,338,350,353,365,382,410,412,441,456,461,495,499,507,515,561,573,601,626,640,664,668,704,715,746,767,772,778,784,786,797,826,834,844,941,948,963,968,977,993,994,1000,1022 +0397_00242 45,50,64,100,134,145,153,154,186,264,283,295,309,312,315,328,334,353,361,372,396,447,481,487,514,516,524,538,546,550,556,575,579,588,599,626,640,662,708,719,741,778,781,786,794,811,817,850,864,870,934,945,948,968,1019 +0397_00243 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 +0397_00244 13,15,19,25,26,44,49,60,76,85,87,89,134,144,153,205,207,214,215,222,223,231,274,285,295,311,312,318,351,356,357,473,499,503,515,540,566,583,594,613,626,654,660,690,692,700,755,759,772,774,778,801,802,816,818,840,841,849,860,890,894,904,909,936,948,964,968,976,984,992 +0397_00245 37,45,50,62,64,100,134,153,154,164,186,283,295,309,312,328,334,353,361,396,481,487,524,538,546,550,556,579,588,599,626,632,640,662,719,741,778,781,785,786,794,811,850,864,870,897,934,945,948,968,994 +0397_00246 15,25,26,44,58,60,63,71,77,85,89,134,144,151,154,204,212,214,222,260,274,285,295,311,318,351,357,377,402,460,461,473,482,496,499,517,519,539,540,566,583,589,602,616,622,626,654,656,660,680,690,692,700,711,714,755,772,774,791,801,816,818,829,832,840,841,849,853,894,911,936,948,964,968,1012 +0397_00247 15,25,26,44,58,60,63,71,77,85,89,134,144,151,154,204,212,214,222,260,274,285,295,311,318,351,357,377,402,460,461,472,473,482,496,499,517,519,539,540,566,583,602,616,622,626,654,656,660,685,690,692,700,711,714,748,755,772,774,801,816,818,829,832,840,841,849,853,894,911,936,948,964,968,1012 +0397_00248 15,26,49,58,60,63,71,77,85,89,102,108,151,156,204,212,222,252,260,285,340,367,377,401,402,424,460,461,472,482,496,499,517,519,539,560,566,602,609,622,626,632,656,685,690,711,714,748,772,801,818,829,832,846,849,851,852,853,879,887,911,929,936,948,964,969,987,1012,1022 +0397_00249 15,26,49,58,60,63,71,77,85,89,102,108,151,156,204,212,222,252,260,285,340,367,377,401,402,424,460,461,482,496,499,517,519,539,560,566,589,602,609,622,626,632,656,680,690,711,714,772,791,801,818,829,832,846,849,851,852,853,879,887,911,929,936,948,964,969,987,1012,1022 +0397_00251 6,20,26,45,50,62,64,94,101,134,153,154,163,167,241,283,312,353,361,456,462,481,487,508,524,538,550,556,558,599,626,637,640,662,681,708,719,727,755,761,778,781,786,794,826,850,864,945,948,968,994 +0397_00252 5,15,20,26,50,64,89,120,124,134,147,153,172,197,207,210,245,247,274,282,283,297,309,327,342,361,363,367,387,388,406,412,464,499,508,541,557,562,577,597,626,629,640,660,663,665,676,689,696,698,700,707,717,727,757,761,762,771,774,782,802,810,819,850,860,890,909,914,921,923,938,948,967 +0397_00253 6,20,26,45,50,62,64,94,101,134,153,154,163,167,241,283,312,353,361,456,462,481,487,508,524,538,550,556,558,599,626,637,640,662,681,708,719,727,755,761,778,781,786,794,826,850,864,945,948,968,994 +0397_00254 5,15,26,27,35,56,60,80,89,103,116,123,134,181,184,193,213,214,222,224,246,251,260,274,285,295,297,311,351,419,430,432,448,458,473,480,481,482,499,502,552,556,585,586,597,617,626,651,653,656,682,696,699,700,733,747,752,758,772,780,812,854,916,936,948,965,968,995 +0397_00255 5,11,15,20,26,35,58,60,80,89,90,97,115,193,213,222,224,246,260,262,285,287,310,311,336,415,419,454,482,495,499,502,517,552,556,626,651,652,656,684,686,696,720,733,747,751,752,762,772,789,790,795,826,837,854,858,866,873,892,916,919,936,948,965,990 diff --git a/processed_data/0397/0397_fingerprints_maccs_canonical_success.tsv b/processed_data/0397/0397_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..e39e14677 --- /dev/null +++ b/processed_data/0397/0397_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,256 @@ +id bits.on +0397_00001 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0397_00002 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00003 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00004 53,54,57,66,72,83,89,90,91,96,104,109,112,113,123,125,126,127,128,131,132,136,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00005 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0397_00006 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00007 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00008 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00009 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0397_00010 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0397_00011 26,34,50,53,54,57,66,72,76,82,89,90,91,98,99,104,105,109,112,120,123,126,127,131,132,137,138,139,140,143,145,146,147,150,152,153,154,155,157,159,163,164,165 +0397_00012 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00013 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0397_00014 53,54,57,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00015 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0397_00016 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00017 91,104,113,123,127,131,132,139,143,146,152,154,155,157,159,162,163,164,165 +0397_00018 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00019 23,38,66,74,75,77,83,84,85,90,91,96,97,100,106,109,110,111,112,117,121,122,123,126,128,133,136,137,138,140,141,142,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0397_00020 72,93,104,113,123,126,127,131,132,139,140,143,144,146,150,152,154,155,157,159,160,162,163,164,165 +0397_00021 57,66,83,89,96,101,105,108,112,116,120,123,127,132,136,137,140,143,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00022 26,34,50,53,54,57,72,76,82,89,90,91,98,99,105,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,163,164,165 +0397_00023 50,53,54,57,72,76,82,89,90,91,93,96,98,99,104,105,108,109,116,120,123,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00024 8,11,53,54,57,66,72,89,90,91,96,98,101,104,105,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0397_00025 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,115,120,123,126,127,131,132,136,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00026 26,34,50,53,54,57,72,76,82,89,90,91,98,99,105,109,120,123,126,127,131,132,137,138,139,140,143,145,146,147,150,152,153,154,155,157,159,163,164,165 +0397_00027 54,66,72,89,90,91,99,104,112,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00028 50,53,54,57,62,66,72,76,82,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00029 54,57,72,89,93,98,105,113,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00030 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00031 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00032 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0397_00033 72,93,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0397_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00035 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00036 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00037 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,128,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00038 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00039 53,54,72,89,109,113,114,123,126,127,131,139,140,143,144,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00040 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00041 72,89,93,113,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00042 50,53,54,57,72,76,82,89,90,91,96,98,99,105,109,113,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00043 57,89,98,105,113,123,125,127,137,139,143,145,146,152,154,157,159,162,163,164,165 +0397_00044 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00045 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00046 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00047 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0397_00048 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00049 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00050 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00051 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00052 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00053 16,22,53,54,57,66,72,82,89,90,91,96,98,99,105,109,112,113,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00054 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00055 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,136,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00056 53,54,57,72,82,89,90,91,98,105,109,113,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00058 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00059 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00060 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 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57,66,72,90,91,98,105,108,112,113,115,116,123,127,131,132,137,139,140,141,143,144,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0397_00146 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00147 28,57,62,72,83,89,90,93,96,105,109,113,120,123,125,126,127,137,138,139,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00148 57,83,89,93,96,98,105,113,120,123,125,126,127,137,140,143,145,146,152,154,157,159,160,162,163,164,165 +0397_00149 53,82,89,90,105,109,113,125,127,131,136,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00150 57,72,83,89,93,96,98,105,113,120,123,125,126,127,137,140,143,145,146,149,152,154,157,159,160,162,163,164,165 +0397_00151 34,50,53,54,57,66,72,76,82,83,89,90,91,96,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00152 105,113,125,127,139,143,145,152,157,162,163,164,165 +0397_00153 26,50,53,54,57,62,66,72,76,89,90,91,96,98,99,104,105,108,112,113,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0397_00154 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00155 16,19,22,50,57,66,72,76,82,89,91,96,98,99,105,108,109,112,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00156 16,22,57,66,72,74,83,89,96,98,105,108,109,112,113,116,120,123,125,126,127,132,137,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00157 54,72,89,105,113,125,127,131,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00158 54,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00159 50,76,89,99,105,113,127,136,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00160 82,89,91,105,109,113,125,127,131,136,139,140,143,144,145,146,152,153,154,155,157,159,162,163,164,165 +0397_00161 34,50,53,57,66,76,82,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00162 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00163 57,62,72,89,93,98,105,113,125,126,127,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00164 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +0397_00165 16,19,22,50,57,66,72,76,82,89,91,96,98,99,104,105,108,109,112,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00166 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00167 11,34,50,66,74,76,99,105,108,112,116,129,145,147,149,160,163,165 +0397_00168 57,76,89,93,98,99,116,123,126,127,132,137,143,145,146,152,154,157,159,160,162,163,164,165 +0397_00169 89,93,105,113,125,126,127,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00170 16,22,57,66,72,74,83,89,93,96,98,105,108,109,112,113,116,120,123,125,126,127,132,137,140,141,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00171 11,50,66,74,76,99,105,112,116,141,145,149,160,163,165 +0397_00172 16,22,57,66,72,74,83,89,96,98,105,108,109,112,113,116,120,123,125,126,127,132,137,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00173 89,105,113,123,125,127,131,136,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0397_00174 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00175 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0397_00176 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00177 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0397_00178 89,105,113,125,127,131,136,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0397_00179 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0397_00180 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00181 53,54,57,72,89,98,105,113,123,125,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00182 26,50,57,76,83,89,96,99,105,108,115,116,120,123,127,128,129,132,137,143,144,146,147,149,152,154,157,159,160,162,164,165 +0397_00183 57,62,89,98,105,113,125,127,137,143,145,152,154,159,162,163,164,165 +0397_00184 57,89,93,98,105,113,125,126,127,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00185 50,57,62,66,72,76,83,89,90,91,93,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00186 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00187 105,125,127,136,143,144,145,152,154,159,162,163,164,165 +0397_00188 50,74,76,99,108,115,116,141,147,149,154,155,160,164 +0397_00189 50,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00190 16,19,22,57,62,66,72,74,83,89,96,98,99,105,108,112,115,116,120,123,127,128,132,136,137,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0397_00191 16,22,50,57,66,72,76,83,89,96,98,99,105,108,112,115,116,120,123,127,128,129,132,137,140,143,144,146,147,149,152,154,157,159,160,162,163,164,165 +0397_00192 105,125,127,143,144,145,152,154,162,163,164,165 +0397_00193 72,89,93,99,113,125,126,127,131,132,136,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00194 34,50,57,66,76,82,83,90,91,96,99,105,108,109,112,115,116,118,123,127,128,129,137,138,139,143,145,146,147,149,150,153,154,155,157,159,160,163,164,165 +0397_00195 50,57,72,74,76,83,89,96,98,99,105,109,113,116,120,123,125,126,127,137,140,143,145,146,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00196 57,66,83,90,91,96,104,105,108,112,115,116,118,120,123,127,128,129,132,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00197 57,62,89,98,105,113,125,127,132,137,143,144,145,152,154,157,159,162,163,164,165 +0397_00198 53,89,105,113,125,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0397_00199 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00200 89,105,113,125,127,136,139,143,144,145,146,152,154,157,159,162,163,164,165 +0397_00201 50,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00202 34,50,57,76,83,96,99,105,108,115,116,118,123,127,128,129,137,143,147,149,150,152,154,157,159,160,164,165 +0397_00203 53,89,105,113,125,127,131,136,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00204 50,53,54,57,66,72,74,76,89,90,91,98,99,104,105,112,113,115,116,125,127,131,132,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00205 50,57,74,76,83,89,96,98,99,105,109,113,116,120,123,125,126,127,137,140,143,145,146,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00206 99,125,145,152,154,162,163,164,165 +0397_00207 19,34,50,57,76,83,96,99,105,118,123,127,128,129,137,143,147,150,152,154,157,159,164,165 +0397_00208 26,50,57,72,76,83,89,96,99,105,109,115,125,127,136,137,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00209 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00210 16,22,50,57,66,74,76,83,89,96,98,99,105,108,109,112,113,115,116,120,123,125,126,127,128,129,132,137,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00211 57,62,89,98,105,113,125,127,137,143,145,152,154,159,162,163,164,165 +0397_00212 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0397_00213 72,93,99,108,113,114,115,116,118,126,127,128,129,132,139,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00214 19,26,50,72,74,76,89,91,99,105,113,116,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00215 26,50,53,54,57,66,72,76,83,89,90,91,96,98,99,101,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,157,159,160,163,164,165 +0397_00216 89,105,113,125,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0397_00217 26,50,53,54,57,66,72,76,82,83,89,91,96,98,99,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00218 57,72,83,89,96,105,125,127,136,137,143,144,145,146,149,150,152,154,159,160,162,163,164,165 +0397_00219 26,50,57,66,72,74,76,83,89,96,99,105,108,109,112,115,116,118,127,136,137,141,143,144,145,146,147,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00220 57,89,90,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,155,157,159,162,163,164,165 +0397_00221 57,62,89,98,105,113,125,127,137,143,145,152,154,159,162,163,164,165 +0397_00222 26,50,53,66,74,76,82,89,90,91,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00223 26,50,53,66,74,76,89,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00224 26,50,76,96,99,105,108,115,116,118,123,128,129,139,141,147,149,154,157,159,160,163,164,165 +0397_00225 89,93,105,113,125,126,127,131,136,139,140,143,144,145,146,149,152,154,157,159,160,162,163,164,165 +0397_00226 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00227 105,113,125,127,136,143,145,152,154,159,162,163,164,165 +0397_00228 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00229 26,50,53,54,57,66,72,76,82,83,89,90,91,96,98,99,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00230 57,66,72,74,83,89,96,105,108,112,115,116,118,127,136,137,141,143,144,145,146,147,149,150,152,154,159,160,162,163,164,165 +0397_00231 26,50,53,57,66,76,83,89,91,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,157,159,160,163,164,165 +0397_00232 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00233 50,57,72,74,76,83,89,96,98,99,105,108,109,113,115,116,120,123,125,126,127,128,129,137,140,141,143,145,146,147,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00234 19,26,50,72,74,76,89,91,93,99,105,113,116,126,127,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00235 50,57,74,76,83,89,96,98,99,105,108,109,113,115,116,120,123,125,126,127,128,129,137,140,141,143,145,146,147,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00236 50,72,76,89,90,91,99,108,114,115,116,118,127,128,129,131,136,139,140,143,146,147,150,152,154,155,157,159,160,163,164,165 +0397_00237 19,74,96,105,141,144,149,160,162,165 +0397_00238 34,50,66,74,76,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00239 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00240 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00241 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,127,129,137,139,141,143,144,145,147,149,152,155,157,159,160,162,163,164,165 +0397_00242 54,72,90,91,99,113,118,127,128,129,131,139,143,144,147,150,152,155,157,159,160,162,163,164,165 +0397_00243 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00244 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,155,157,160,163,164,165 +0397_00245 54,72,90,91,99,113,114,115,118,127,128,129,131,139,143,144,147,150,152,155,157,159,160,162,163,164,165 +0397_00246 26,50,57,66,76,83,90,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00247 26,50,57,66,76,83,90,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00248 57,66,83,90,91,96,98,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00249 57,66,83,90,91,96,98,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00250 53,89,91,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0397_00251 53,89,91,99,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0397_00252 50,66,74,76,89,90,99,101,105,108,112,115,116,127,128,129,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0397_00253 53,89,91,99,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0397_00254 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,157,160,163,164,165 +0397_00255 34,50,66,74,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,157,160,163,164,165 diff --git a/processed_data/0397/0397_fingerprints_maccs_isomeric_success.tsv b/processed_data/0397/0397_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..3d145ef92 --- /dev/null +++ b/processed_data/0397/0397_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,157 @@ +id bits.on +0397_00002 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00003 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00004 53,54,57,66,72,83,89,90,91,96,104,109,112,113,123,125,126,127,128,131,132,136,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00006 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00007 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00008 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00010 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0397_00011 26,34,50,53,54,57,66,72,76,82,89,90,91,98,99,104,105,109,112,120,123,126,127,131,132,137,138,139,140,143,145,146,147,150,152,153,154,155,157,159,163,164,165 +0397_00012 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00014 53,54,57,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00018 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0397_00019 23,38,66,74,75,77,83,84,85,90,91,96,97,100,106,109,110,111,112,117,121,122,123,126,128,133,136,137,138,140,141,142,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0397_00021 57,66,83,89,96,101,105,108,112,116,120,123,127,132,136,137,140,143,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00022 26,34,50,53,54,57,72,76,82,89,90,91,98,99,105,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,163,164,165 +0397_00023 50,53,54,57,72,76,82,89,90,91,93,96,98,99,104,105,108,109,116,120,123,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00024 8,11,53,54,57,66,72,89,90,91,96,98,101,104,105,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0397_00025 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,115,120,123,126,127,131,132,136,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00026 26,34,50,53,54,57,72,76,82,89,90,91,98,99,105,109,120,123,126,127,131,132,137,138,139,140,143,145,146,147,150,152,153,154,155,157,159,163,164,165 +0397_00027 54,66,72,89,90,91,99,104,112,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00028 50,53,54,57,62,66,72,76,82,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00030 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00031 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00032 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0397_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00035 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00036 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00037 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,128,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00038 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00042 50,53,54,57,72,76,82,89,90,91,96,98,99,105,109,113,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00046 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00047 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0397_00048 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00049 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00050 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00051 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00052 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00053 16,22,53,54,57,66,72,82,89,90,91,96,98,99,105,109,112,113,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00054 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00055 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,136,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00056 53,54,57,72,82,89,90,91,98,105,109,113,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00058 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00059 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00061 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0397_00063 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00065 53,54,57,72,82,89,91,98,99,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00067 57,66,72,74,82,83,89,90,93,96,98,105,108,109,112,113,116,120,125,126,127,131,132,137,139,140,141,143,144,145,146,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00068 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00069 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00070 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00072 53,54,57,72,82,89,90,91,93,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0397_00073 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,136,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00074 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00075 53,54,57,62,66,72,82,83,89,90,91,96,98,104,105,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00076 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00079 99,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0397_00080 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00082 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00084 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00088 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00090 49,53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0397_00091 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0397_00092 53,54,57,62,72,82,89,90,91,98,105,109,113,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00093 16,22,53,54,57,66,72,82,89,90,91,96,98,99,105,109,112,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00094 72,82,90,91,93,109,113,125,126,127,129,131,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0397_00096 19,34,50,57,66,76,83,89,91,96,99,105,108,112,115,123,127,132,136,137,139,140,143,146,149,150,152,154,157,159,160,164,165 +0397_00097 53,54,57,62,72,82,89,90,91,98,105,109,113,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0397_00098 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00099 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00102 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00103 53,54,72,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00104 57,66,72,74,83,89,90,91,96,101,105,108,112,116,120,123,127,128,129,131,132,136,137,139,140,141,143,146,149,150,152,154,157,159,160,164,165 +0397_00105 34,50,54,57,72,76,82,83,89,90,91,96,99,104,105,108,109,115,116,123,126,127,128,129,131,132,136,137,138,139,140,143,146,147,150,152,153,154,155,157,159,160,164,165 +0397_00106 34,50,57,66,76,83,90,91,96,99,104,105,108,112,115,116,123,127,128,129,132,137,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00107 26,50,53,54,57,66,72,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00111 34,50,53,57,66,72,76,82,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00112 72,89,93,99,113,123,126,127,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0397_00113 54,57,66,72,74,83,89,90,96,98,104,105,109,112,113,116,120,123,125,126,127,131,132,137,139,140,143,145,146,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00115 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0397_00116 99,123,139,154,157,159,162,163,164,165 +0397_00117 54,57,66,72,74,83,89,90,93,96,98,104,105,109,112,113,116,120,123,125,126,127,131,132,137,139,140,141,143,145,146,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00118 50,53,57,62,66,76,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00120 53,54,57,66,72,82,89,90,91,96,98,99,104,105,109,112,115,120,123,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00122 26,50,53,54,57,66,72,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00123 53,54,72,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0397_00125 99,154,162,163,164,165 +0397_00129 53,57,62,72,82,89,93,98,105,109,113,120,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00131 50,57,66,72,76,91,93,98,99,104,105,112,116,123,126,127,128,132,136,137,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0397_00133 50,57,66,72,76,93,98,99,105,112,116,123,126,127,128,132,136,137,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0397_00137 50,53,54,57,62,66,72,76,82,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00138 91,96,99,104,108,114,123,127,128,129,132,136,139,143,146,147,150,152,154,155,157,159,160,164,165 +0397_00141 19,34,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00142 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00144 53,57,62,72,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0397_00146 50,53,54,57,66,72,74,76,82,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00147 28,57,62,72,83,89,90,93,96,105,109,113,120,123,125,126,127,137,138,139,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00151 34,50,53,54,57,66,72,76,82,83,89,90,91,96,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00153 26,50,53,54,57,62,66,72,76,89,90,91,96,98,99,104,105,108,112,113,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0397_00155 16,19,22,50,57,66,72,76,82,89,91,96,98,99,105,108,109,112,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00156 16,22,57,66,72,74,83,89,96,98,105,108,109,112,113,116,120,123,125,126,127,132,137,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00161 34,50,53,57,66,76,82,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00165 16,19,22,50,57,66,72,76,82,89,91,96,98,99,104,105,108,109,112,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00166 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00168 57,76,89,93,98,99,116,123,126,127,132,137,143,145,146,152,154,157,159,160,162,163,164,165 +0397_00170 16,22,57,66,72,74,83,89,93,96,98,105,108,109,112,113,116,120,123,125,126,127,132,137,140,141,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00179 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0397_00180 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00182 26,50,57,76,83,89,96,99,105,108,115,116,120,123,127,128,129,132,137,143,144,146,147,149,152,154,157,159,160,162,164,165 +0397_00185 50,57,62,66,72,76,83,89,90,91,93,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00186 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00188 50,74,76,99,108,115,116,141,147,149,154,155,160,164 +0397_00189 50,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00190 16,19,22,57,62,66,72,74,83,89,96,98,99,105,108,112,115,116,120,123,127,128,132,136,137,140,141,143,145,146,147,149,150,152,154,157,159,160,162,163,164,165 +0397_00191 16,22,50,57,66,72,76,83,89,96,98,99,105,108,112,115,116,120,123,127,128,129,132,137,140,143,144,146,147,149,152,154,157,159,160,162,163,164,165 +0397_00193 72,89,93,99,113,125,126,127,131,132,136,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00194 34,50,57,66,76,82,83,90,91,96,99,105,108,109,112,115,116,118,123,127,128,129,137,138,139,143,145,146,147,149,150,153,154,155,157,159,160,163,164,165 +0397_00196 57,66,83,90,91,96,104,105,108,112,115,116,118,120,123,127,128,129,132,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00199 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00201 50,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0397_00202 34,50,57,76,83,96,99,105,108,115,116,118,123,127,128,129,137,143,147,149,150,152,154,157,159,160,164,165 +0397_00206 99,125,145,152,154,162,163,164,165 +0397_00207 19,34,50,57,76,83,96,99,105,118,123,127,128,129,137,143,147,150,152,154,157,159,164,165 +0397_00208 26,50,57,72,76,83,89,96,99,105,109,115,125,127,136,137,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00209 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00210 16,22,50,57,66,74,76,83,89,96,98,99,105,108,109,112,113,115,116,120,123,125,126,127,128,129,132,137,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0397_00212 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0397_00213 72,93,99,108,113,114,115,116,118,126,127,128,129,132,139,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00215 26,50,53,54,57,66,72,76,83,89,90,91,96,98,99,101,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,157,159,160,163,164,165 +0397_00217 26,50,53,54,57,66,72,76,82,83,89,91,96,98,99,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00219 26,50,57,66,72,74,76,83,89,96,99,105,108,109,112,115,116,118,127,136,137,141,143,144,145,146,147,149,150,152,153,154,157,159,160,162,163,164,165 +0397_00222 26,50,53,66,74,76,82,89,90,91,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0397_00223 26,50,53,66,74,76,89,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00224 26,50,76,96,99,105,108,115,116,118,123,128,129,139,141,147,149,154,157,159,160,163,164,165 +0397_00226 72,89,90,91,93,104,108,113,114,115,116,118,126,127,128,129,131,132,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0397_00228 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00229 26,50,53,54,57,66,72,76,82,83,89,90,91,96,98,99,101,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00231 26,50,53,57,66,76,83,89,91,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,157,159,160,163,164,165 +0397_00233 50,57,72,74,76,83,89,96,98,99,105,108,109,113,115,116,120,123,125,126,127,128,129,137,140,141,143,145,146,147,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00235 50,57,74,76,83,89,96,98,99,105,108,109,113,115,116,120,123,125,126,127,128,129,137,140,141,143,145,146,147,149,152,153,154,155,157,159,160,162,163,164,165 +0397_00238 34,50,66,74,76,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00239 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00240 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0397_00241 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,127,129,137,139,141,143,144,145,147,149,152,155,157,159,160,162,163,164,165 +0397_00242 54,72,90,91,99,113,118,127,128,129,131,139,143,144,147,150,152,155,157,159,160,162,163,164,165 +0397_00243 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 +0397_00244 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,155,157,160,163,164,165 +0397_00245 54,72,90,91,99,113,114,115,118,127,128,129,131,139,143,144,147,150,152,155,157,159,160,162,163,164,165 +0397_00246 26,50,57,66,76,83,90,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00247 26,50,57,66,76,83,90,96,98,99,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00248 57,66,83,90,91,96,98,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00249 57,66,83,90,91,96,98,101,104,105,108,109,112,115,116,118,120,123,127,128,129,132,137,139,141,143,145,146,147,149,152,153,157,159,160,163,164,165 +0397_00251 53,89,91,99,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0397_00252 50,66,74,76,89,90,99,101,105,108,112,115,116,127,128,129,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0397_00253 53,89,91,99,108,113,114,115,116,118,123,127,128,129,131,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0397_00254 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,157,160,163,164,165 +0397_00255 34,50,66,74,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,157,160,163,164,165 diff --git a/processed_data/0397/0397_fingerprints_pubchem_canonical_success.tsv b/processed_data/0397/0397_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..adaa0c319 --- /dev/null +++ b/processed_data/0397/0397_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,256 @@ +id bits.on +0397_00001 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0397_00002 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00003 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00004 10,11,12,13,19,20,21,22,144,147,179,180,186,187,256,258,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,568,571,572,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0397_00005 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0397_00006 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0397_00007 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00008 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00009 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0397_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0397_00011 10,11,12,13,19,20,21,22,179,182,185,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,536,554,557,564,568,572,574,580,582,583,595,600,611,615,618,638,640,641,642,643,662,663,664,667,668,673,680,681,682,685,690,691,694,701,702,709,710,711,713 +0397_00012 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00013 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0397_00014 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00015 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0397_00016 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0397_00017 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0397_00018 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00019 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,333,334,336,338,342,345,346,347,352,353,356,357,366,367,371,372,375,376,381,385,391,392,394,406,417,421,431,435,441,442,444,447,452,453,471,491,517,521,525,529,536,541,549,553,557,561,565,571,574,575,579,580,581,583,585,593,595,596,600,604,605,609,613,614,615,619,620,635,638,639,641,642,644,646,647,648,655,656,657,661,665,667,669,678,679,680,681,683,686,689,690,699,709,710,711 +0397_00020 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0397_00021 10,11,12,19,20,21,144,147,151,154,158,161,284,285,287,333,334,335,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,582,583,615,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,700,705,709,710,711,712,713,799,819,820 +0397_00022 10,11,12,13,19,20,21,22,179,182,185,186,192,193,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,525,536,554,557,564,565,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,665,667,673,679,680,681,682,685,690,691,694,701,702,709,710 +0397_00023 10,11,12,13,19,20,21,22,144,145,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,477,491,499,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,673,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,840,841,861,862 +0397_00024 10,11,12,19,20,21,22,130,133,144,145,179,180,182,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,783,798,799,804,819,820,825,840,841,861,862,867 +0397_00025 10,11,12,13,19,20,21,22,144,145,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,447,453,477,491,499,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,673,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,709,710,711,713,840,861 +0397_00026 10,11,12,13,19,20,21,22,179,182,185,186,189,193,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,642,662,663,664,667,673,680,681,682,685,690,691,694,701,702,709,710,711,713 +0397_00027 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0397_00028 10,11,12,13,19,20,21,22,144,145,150,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,783,798,799,804,819,820,840,841,861,862 +0397_00029 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00030 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0397_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00032 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0397_00033 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0397_00034 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00035 10,11,12,13,14,19,20,21,22,23,179,180,182,186,187,189,193,196,200,203,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00036 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10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0397_00040 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00041 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0397_00042 10,11,12,13,19,20,21,22,144,148,179,180,182,185,186,193,256,284,285,287,309,333,334,336,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,568,571,572,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,611,615,618,619,620,624,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,699,701,702,705,706,709,710,711,713,715,778 +0397_00043 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0397_00044 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0397_00045 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10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0397_00047 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0397_00048 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00049 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00050 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00051 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0397_00052 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00053 10,11,12,13,19,20,21,22,116,119,144,145,179,180,182,185,186,193,256,284,285,287,309,333,334,336,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,568,571,572,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,611,615,618,619,620,624,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,699,700,701,702,705,706,709,710,711,713,715,778,840,841,846,861,862,867 +0397_00054 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10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00058 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10,11,12,13,19,20,21,22,116,119,144,145,179,180,182,185,186,193,256,284,285,287,309,333,334,336,338,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,624,627,631,632,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,713,715,736,762,778,799,825,840,841,846,861,862,867 +0397_00065 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,564,565,568,571,572,574,575,579,583,585,591,595,596,600,604,607,609,611,615,618,619,620,632,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,715,736,762,778,799,825 +0397_00066 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711,757,820 +0397_00067 10,11,12,13,19,20,21,144,150,179,180,182,186,256,257,258,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0397_00068 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00069 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10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00071 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0397_00072 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0397_00073 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10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00076 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10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0397_00111 10,11,12,13,19,20,21,144,147,179,180,186,187,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,582,583,595,600,615,618,620,638,640,641,642,643,661,663,664,667,668,672,673,679,680,681,687,689,690,697,698,699,700,709,710,711,712,713,778,798,799,819,820 +0397_00112 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10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00114 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,736,756,777,778,798,799,819 +0397_00115 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0397_00116 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0397_00117 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,606,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0397_00118 10,11,12,13,19,20,21,144,145,150,151,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,572,574,583,595,600,615,618,620,638,640,641,642,661,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,846,861,862 +0397_00119 10,11,12,19,20,179,180,183,186,256,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00120 10,11,12,13,19,20,21,22,144,145,179,180,182,185,186,193,256,284,285,287,309,333,334,336,338,340,342,345,347,348,353,356,357,367,368,371,372,375,381,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,553,554,557,564,565,568,571,572,574,579,583,585,595,596,600,604,609,611,615,618,619,620,635,638,640,641,642,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,689,690,691,699,701,702,709,710,711,713,840,841,846,861,862,867 +0397_00121 10,11,12,19,20,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00122 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,568,572,580,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,820,825 +0397_00123 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00124 10,11,12,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0397_00125 10,11,12,19,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,385,417,421,431,435,437,442,444,447,449,471,491,517,521,525,553,554,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,672,673,678,679,680,689,709,710,711 +0397_00126 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00127 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0397_00128 10,11,12,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00129 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,207,256,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00130 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00131 10,11,12,13,19,20,21,179,180,182,183,186,190,193,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,477,491,499,525,536,538,554,557,564,572,580,583,606,615,618,638,641,661,662,672,673,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0397_00132 10,11,12,19,20,21,144,147,179,180,182,186,187,193,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,741,757,778,804,820 +0397_00133 10,11,12,13,19,20,21,179,180,182,183,186,190,193,200,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,463,477,491,499,525,536,538,554,557,580,583,606,615,638,641,661,672,673,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0397_00134 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00135 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00136 10,11,12,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00137 10,11,12,13,14,19,20,21,22,23,144,145,150,151,179,180,182,186,187,189,193,194,196,200,203,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0397_00138 10,11,12,19,20,144,145,284,285,287,309,333,334,336,342,345,353,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,694,695,697,699,705,707,709,710,711,713,861 +0397_00139 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00140 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00141 10,11,12,13,14,19,20,21,22,23,144,145,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,491,536,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,840,841 +0397_00142 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0397_00143 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00144 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00145 10,11,12,19,20,21,179,180,185,186,256,284,285,287,309,333,334,338,342,345,353,356,357,375,381,382,383,385,406,407,417,421,431,441,442,444,453,463,471,477,491,499,521,525,536,538,542,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,604,605,606,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,693,697,698,699,700,705,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0397_00146 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00147 10,11,12,13,19,20,21,22,144,147,150,151,179,180,183,186,187,193,256,258,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,631,635,638,640,641,642,652,654,656,661,662,663,665,667,668,669,678,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,736,741,756,762,777,778,798,799,804,819,820,825 +0397_00148 10,11,12,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00149 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00150 10,11,12,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0397_00151 10,11,12,13,19,20,21,22,144,150,179,180,182,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,673,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,798,819 +0397_00152 10,11,12,19,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0397_00153 10,11,12,13,19,20,21,22,144,145,179,180,182,183,186,187,189,193,200,207,256,257,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,712,713,777,798,799,819,820,840,841,861,862 +0397_00154 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0397_00155 10,11,12,13,19,20,21,116,119,144,145,179,180,183,185,186,187,193,200,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,568,572,574,580,582,583,595,600,615,618,620,638,640,641,642,643,661,663,664,667,668,672,673,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00156 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00157 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,641,642,643,652,656,661,664,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,736,756,757,762,777,778,798,799,819,820,825 +0397_00158 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00159 10,11,12,19,20,179,180,183,186,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00160 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,702,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0397_00161 10,11,12,13,19,20,21,144,150,179,180,186,187,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,525,536,554,557,565,572,574,583,595,600,618,620,638,640,641,642,661,665,667,672,673,679,680,681,689,690,697,698,699,700,709,710,711,712,713,778,798,799,819,820 +0397_00162 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00163 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00164 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +0397_00165 10,11,12,13,19,20,21,116,119,144,145,179,180,183,185,186,187,193,200,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,568,572,574,580,582,583,595,600,615,618,620,638,640,641,642,643,661,663,664,667,668,672,673,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820,825,840,861 +0397_00166 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,846,861,862 +0397_00167 10,11,12,130,131,179,180,284,285,333,334,335,336,345,375,417,431,442,447,491,557,583,600,641,680,689,697,698,709,710,711,712,713,819 +0397_00168 10,11,12,19,20,179,180,185,186,256,284,285,287,333,334,340,342,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,553,554,557,565,571,574,579,583,585,595,596,600,604,609,615,619,620,635,638,640,641,642,661,665,667,669,672,678,679,680,689,709,710,711 +0397_00169 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00170 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10,11,12,13,19,20,21,144,147,151,154,179,180,186,187,256,257,284,285,287,309,333,334,335,336,338,340,342,345,347,353,356,357,367,371,372,375,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,580,583,590,595,596,598,600,605,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,667,669,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,783,798,799,819,820 +0397_00197 10,11,12,19,20,179,180,185,186,187,193,256,258,284,285,287,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,757,820 +0397_00198 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00199 10,11,12,13,14,19,20,21,22,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,568,572,580,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00200 10,11,12,19,20,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,777,798,799,819,820 +0397_00201 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0397_00202 10,11,12,19,20,144,147,249,253,284,285,287,333,334,336,340,342,345,347,353,367,375,381,406,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,583,595,600,615,620,638,641,642,661,667,673,679,680,681,685,687,689,690,693,699,705,709,710,711 +0397_00203 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00204 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,756,757,762,778,783,798,799,804,819,820,825 +0397_00205 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00206 10,11,12,19,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,697,705,709,710,711 +0397_00207 10,11,12,19,20,144,145,147,151,214,215,284,285,287,333,334,336,340,342,345,347,353,367,381,406,417,421,431,441,442,444,447,453,491,536,554,557,574,580,583,595,600,615,638,641,642,667,673,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,713,861 +0397_00208 10,11,12,13,19,20,144,150,179,180,183,186,187,193,256,258,284,285,287,333,334,336,342,345,347,353,356,357,367,371,372,375,385,386,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,678,679,680,681,685,687,689,690,693,694,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0397_00209 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,643,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00210 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00211 10,11,12,13,19,20,179,180,182,186,187,193,194,200,256,257,258,260,262,284,285,287,333,334,342,345,353,356,357,371,372,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,735,736,756,757,778,798,799,819,820 +0397_00212 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0397_00213 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00214 10,11,12,13,19,20,21,179,180,183,186,214,218,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,689,690,694,697,698,699,700,709,710,711,713,715,735,736,756,778,798,799,819 +0397_00215 10,11,12,13,14,19,20,21,22,23,144,145,147,151,179,180,182,183,186,187,189,193,196,200,203,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,804,819,820,840,841,861,862 +0397_00216 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,697,698,699,700,702,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0397_00217 10,11,12,13,14,19,20,21,22,23,144,145,147,151,179,180,182,183,186,187,189,193,196,200,203,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00218 10,11,12,13,19,20,144,147,179,180,183,186,187,193,256,257,258,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,385,386,406,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,549,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,687,688,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,714,735,756,777,798,799,819,820 +0397_00219 10,11,12,13,19,20,144,150,179,180,183,186,190,193,256,284,285,287,333,334,335,336,342,345,347,353,356,357,367,371,372,375,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,678,679,680,681,685,687,689,690,693,694,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0397_00220 10,11,12,13,19,20,21,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,757,820 +0397_00221 10,11,12,13,19,20,179,180,182,186,187,193,194,200,256,257,258,260,262,284,285,287,333,334,342,345,353,356,357,371,372,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,757,777,778,798,799,819,820 +0397_00222 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,640,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00223 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,582,583,600,618,638,640,641,643,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00224 10,11,12,19,20,144,148,179,180,284,285,287,309,333,334,336,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,583,600,618,620,641,661,668,672,673,679,680,689,697,698,709,710,711,713,777,798,819 +0397_00225 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00226 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,643,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00227 10,11,12,13,19,20,179,180,183,186,187,190,193,194,200,201,207,256,258,260,262,284,285,287,333,334,342,345,353,356,357,371,372,382,383,385,386,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,697,698,705,709,710,711,713,714,735,756,777,798,819 +0397_00228 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00229 10,11,12,13,14,19,20,21,22,144,145,147,151,179,180,182,183,186,187,189,193,200,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00230 10,11,12,13,19,20,144,147,179,180,183,186,190,193,256,257,258,284,285,287,333,334,335,342,345,347,353,356,357,367,371,372,375,382,385,406,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,549,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,687,688,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,712,713,714,735,756,777,798,799,819,820 +0397_00231 10,11,12,13,19,20,21,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,640,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,804,819,820,840,841,861,862 +0397_00232 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0397_00233 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00234 10,11,12,13,19,20,21,179,180,183,186,214,218,256,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,687,689,690,694,697,698,699,700,709,710,711,713,715,735,736,756,778,798,799,819 +0397_00235 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00236 10,11,12,13,19,20,21,179,183,284,285,287,309,333,334,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,499,525,536,538,554,557,580,583,618,638,641,642,661,672,673,679,680,681,685,689,690,693,697,699,705 +0397_00237 10,11,12,144,148,214,218,284,285,333,334,336,345,356,357,371,372,375,385,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,840,861 +0397_00238 10,11,12,13,19,20,144,145,179,180,186,187,193,194,200,201,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,441,442,444,447,453,491,536,557,572,580,583,600,618,638,641,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00239 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00240 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00241 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0397_00242 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,736,757,762,799,820,825 +0397_00243 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0397_00244 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,642,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,819,840,861 +0397_00245 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,736,757,762,799,820,825 +0397_00246 10,11,12,13,19,20,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00247 10,11,12,13,19,20,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00248 10,11,12,13,19,20,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,564,572,583,611,615,618,638,662,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0397_00249 10,11,12,13,19,20,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,564,572,583,611,615,618,638,662,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0397_00250 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00251 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00252 10,11,12,13,14,19,20,21,179,180,183,186,284,285,287,309,333,334,335,336,342,345,353,375,407,417,421,431,433,435,442,444,447,491,499,525,536,554,557,580,582,583,589,600,618,638,641,643,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,777,798,819 +0397_00253 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00254 10,11,12,13,19,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0397_00255 10,11,12,13,19,144,145,179,180,186,187,193,194,200,201,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,442,447,491,557,572,583,600,618,638,641,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820,840,861 diff --git a/processed_data/0397/0397_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0397/0397_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..1fb56fe2c --- /dev/null +++ b/processed_data/0397/0397_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,157 @@ +id bits.on +0397_00002 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00003 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00004 10,11,12,13,19,20,21,22,144,147,179,180,186,187,256,258,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,568,571,572,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0397_00006 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0397_00007 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00008 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0397_00011 10,11,12,13,19,20,21,22,179,182,185,186,189,193,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,536,554,557,564,568,572,574,580,582,583,595,600,611,615,618,638,640,641,642,643,662,663,664,667,668,673,680,681,682,685,690,691,694,701,702,709,710,711,713 +0397_00012 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00014 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00018 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00019 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,333,334,336,338,342,345,346,347,352,353,356,357,366,367,371,372,375,376,381,385,391,392,394,406,417,421,431,435,441,442,444,447,452,453,471,491,517,521,525,529,536,541,549,553,557,561,565,571,574,575,579,580,581,583,585,593,595,596,600,604,605,609,613,614,615,619,620,635,638,639,641,642,644,646,647,648,655,656,657,661,665,667,669,678,679,680,681,683,686,689,690,699,709,710,711 +0397_00021 10,11,12,19,20,21,144,147,151,154,158,161,284,285,287,333,334,335,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,582,583,615,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,700,705,709,710,711,712,713,799,819,820 +0397_00022 10,11,12,13,19,20,21,22,179,182,185,186,192,193,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,525,536,554,557,564,565,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,665,667,673,679,680,681,682,685,690,691,694,701,702,709,710 +0397_00023 10,11,12,13,19,20,21,22,144,145,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,477,491,499,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,673,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,840,841,861,862 +0397_00024 10,11,12,19,20,21,22,130,133,144,145,179,180,182,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,783,798,799,804,819,820,825,840,841,861,862,867 +0397_00025 10,11,12,13,19,20,21,22,144,145,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,441,442,444,447,453,477,491,499,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,673,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,709,710,711,713,840,861 +0397_00026 10,11,12,13,19,20,21,22,179,182,185,186,189,193,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,536,554,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,642,662,663,664,667,673,680,681,682,685,690,691,694,701,702,709,710,711,713 +0397_00027 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0397_00028 10,11,12,13,19,20,21,22,144,145,150,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,783,798,799,804,819,820,840,841,861,862 +0397_00030 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0397_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00032 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0397_00034 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0397_00035 10,11,12,13,14,19,20,21,22,23,179,180,182,186,187,189,193,196,200,203,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00036 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00037 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00038 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00042 10,11,12,13,19,20,21,22,144,148,179,180,182,185,186,193,256,284,285,287,309,333,334,336,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,568,571,572,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,611,615,618,619,620,624,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,699,701,702,705,706,709,710,711,713,715,778 +0397_00046 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0397_00047 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0397_00048 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00049 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00050 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10,11,12,13,14,19,20,21,22,23,144,145,150,151,179,180,182,186,187,189,193,194,196,200,203,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0397_00138 10,11,12,19,20,144,145,284,285,287,309,333,334,336,342,345,353,375,381,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,694,695,697,699,705,707,709,710,711,713,861 +0397_00141 10,11,12,13,14,19,20,21,22,23,144,145,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,491,536,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,840,841 +0397_00142 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0397_00144 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0397_00146 10,11,12,13,14,19,20,21,22,144,145,179,180,182,186,187,189,193,194,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00147 10,11,12,13,19,20,21,22,144,147,150,151,179,180,183,186,187,193,256,258,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,631,635,638,640,641,642,652,654,656,661,662,663,665,667,668,669,678,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,736,741,756,762,777,778,798,799,804,819,820,825 +0397_00151 10,11,12,13,19,20,21,22,144,150,179,180,182,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,673,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,798,819 +0397_00153 10,11,12,13,19,20,21,22,144,145,179,180,182,183,186,187,189,193,200,207,256,257,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,712,713,777,798,799,819,820,840,841,861,862 +0397_00155 10,11,12,13,19,20,21,116,119,144,145,179,180,183,185,186,187,193,200,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,568,572,574,580,582,583,595,600,615,618,620,638,640,641,642,643,661,663,664,667,668,672,673,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00156 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00161 10,11,12,13,19,20,21,144,150,179,180,186,187,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,517,525,536,554,557,565,572,574,583,595,600,618,620,638,640,641,642,661,665,667,672,673,679,680,681,689,690,697,698,699,700,709,710,711,712,713,778,798,799,819,820 +0397_00165 10,11,12,13,19,20,21,116,119,144,145,179,180,183,185,186,187,193,200,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,568,572,574,580,582,583,595,600,615,618,620,638,640,641,642,643,661,663,664,667,668,672,673,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820,825,840,861 +0397_00166 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,846,861,862 +0397_00168 10,11,12,19,20,179,180,185,186,256,284,285,287,333,334,340,342,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,553,554,557,565,571,574,579,583,585,595,596,600,604,609,615,619,620,635,638,640,641,642,661,665,667,669,672,678,679,680,689,709,710,711 +0397_00170 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0397_00179 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0397_00180 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,643,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,715,736,762,778,799,825 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10,11,12,13,14,19,20,21,22,179,180,182,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,568,572,580,582,583,600,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00188 10,11,12,19,284,285,287,333,334,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,525,554,557,583,600,641,661,672,679 +0397_00189 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0397_00190 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,187,193,214,220,256,257,284,285,287,333,334,335,336,338,340,342,345,347,353,356,357,367,371,372,375,381,382,385,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,574,575,576,580,582,583,590,595,596,598,600,605,606,607,609,615,620,621,624,627,633,635,638,640,641,642,643,652,656,661,663,667,669,672,673,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,712,713,777,798,799,819,820 +0397_00191 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10,11,12,13,19,20,144,150,179,180,186,187,284,285,287,309,333,334,335,336,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,572,574,580,583,595,600,615,618,620,638,641,661,667,672,673,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,798,819 +0397_00196 10,11,12,13,19,20,21,144,147,151,154,179,180,186,187,256,257,284,285,287,309,333,334,335,336,338,340,342,345,347,353,356,357,367,371,372,375,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,580,583,590,595,596,598,600,605,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,667,669,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,783,798,799,819,820 +0397_00199 10,11,12,13,14,19,20,21,22,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,564,568,572,580,583,600,611,615,618,638,640,641,661,662,663,664,679,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00201 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0397_00202 10,11,12,19,20,144,147,249,253,284,285,287,333,334,336,340,342,345,347,353,367,375,381,406,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,583,595,600,615,620,638,641,642,661,667,673,679,680,681,685,687,689,690,693,699,705,709,710,711 +0397_00206 10,11,12,19,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,697,705,709,710,711 +0397_00207 10,11,12,19,20,144,145,147,151,214,215,284,285,287,333,334,336,340,342,345,347,353,367,381,406,417,421,431,441,442,444,447,453,491,536,554,557,574,580,583,595,600,615,638,641,642,667,673,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,713,861 +0397_00208 10,11,12,13,19,20,144,150,179,180,183,186,187,193,256,258,284,285,287,333,334,336,342,345,347,353,356,357,367,371,372,375,385,386,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,678,679,680,681,685,687,689,690,693,694,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0397_00209 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,643,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00210 10,11,12,13,19,20,21,116,119,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00212 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0397_00213 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00215 10,11,12,13,14,19,20,21,22,23,144,145,147,151,179,180,182,183,186,187,189,193,196,200,203,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,804,819,820,840,841,861,862 +0397_00217 10,11,12,13,14,19,20,21,22,23,144,145,147,151,179,180,182,183,186,187,189,193,196,200,203,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00219 10,11,12,13,19,20,144,150,179,180,183,186,190,193,256,284,285,287,333,334,335,336,342,345,347,353,356,357,367,371,372,375,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,678,679,680,681,685,687,689,690,693,694,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0397_00222 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,640,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00223 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,582,583,600,618,638,640,641,643,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00224 10,11,12,19,20,144,148,179,180,284,285,287,309,333,334,336,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,583,600,618,620,641,661,668,672,673,679,680,689,697,698,709,710,711,713,777,798,819 +0397_00226 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,643,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,715,736,762,778,799,825 +0397_00228 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00229 10,11,12,13,14,19,20,21,22,144,145,147,151,179,180,182,183,186,187,189,193,200,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,431,435,442,447,491,525,557,564,568,572,583,600,611,615,618,638,640,641,642,661,662,663,664,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00231 10,11,12,13,19,20,21,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,640,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,804,819,820,840,841,861,862 +0397_00233 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0397_00235 10,11,12,13,19,20,21,144,147,179,180,182,186,256,257,258,259,260,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0397_00238 10,11,12,13,19,20,144,145,179,180,186,187,193,194,200,201,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,441,442,444,447,453,491,536,557,572,580,583,600,618,638,641,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0397_00239 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00240 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0397_00241 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0397_00242 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,736,757,762,799,820,825 +0397_00243 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0397_00244 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,642,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,819,840,861 +0397_00245 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,736,757,762,799,820,825 +0397_00246 10,11,12,13,19,20,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00247 10,11,12,13,19,20,144,145,147,151,179,180,182,183,186,187,193,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,431,435,442,447,491,525,557,564,572,583,600,611,615,618,638,641,642,661,662,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,841,861,862 +0397_00248 10,11,12,13,19,20,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,564,572,583,611,615,618,638,662,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0397_00249 10,11,12,13,19,20,144,145,147,151,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,564,572,583,611,615,618,638,662,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0397_00251 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00252 10,11,12,13,14,19,20,21,179,180,183,186,284,285,287,309,333,334,335,336,342,345,353,375,407,417,421,431,433,435,442,444,447,491,499,525,536,554,557,580,582,583,589,600,618,638,641,643,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,777,798,819 +0397_00253 10,11,12,13,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,736,756,757,799,819,820 +0397_00254 10,11,12,13,19,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0397_00255 10,11,12,13,19,144,145,179,180,186,187,193,194,200,201,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,442,447,491,557,572,583,600,618,638,641,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820,840,861 diff --git a/processed_data/0397/0397_gradient.tsv b/processed_data/0397/0397_gradient.tsv new file mode 100644 index 000000000..68a534a12 --- /dev/null +++ b/processed_data/0397/0397_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.46 95 5 +30 0.46 5 95 +40 0.46 5 95 diff --git a/processed_data/0397/0397_info.tsv b/processed_data/0397/0397_info.tsv new file mode 100644 index 000000000..aef9951c3 --- /dev/null +++ b/processed_data/0397/0397_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0397 10.1016/j.phytochem.2014.10.005 Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt ROASMI_68 diff --git a/processed_data/0397/0397_metadata.tsv b/processed_data/0397/0397_metadata.tsv new file mode 100644 index 000000000..0c845f372 --- /dev/null +++ b/processed_data/0397/0397_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0397 Waters ACQUITY UPLC BEH C18 L1 150 2.1 1.7 40 0.46 0.7190217391304348 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 diff --git a/processed_data/0397/0397_report_canonical.pdf b/processed_data/0397/0397_report_canonical.pdf new file mode 100644 index 000000000..7578cda61 Binary files /dev/null and b/processed_data/0397/0397_report_canonical.pdf differ diff --git a/processed_data/0397/0397_report_isomeric.pdf b/processed_data/0397/0397_report_isomeric.pdf new file mode 100644 index 000000000..5e98f3c1e Binary files /dev/null and b/processed_data/0397/0397_report_isomeric.pdf differ diff --git a/processed_data/0397/0397_rtdata_canonical_success.tsv b/processed_data/0397/0397_rtdata_canonical_success.tsv new file mode 100644 index 000000000..4e14d0527 --- /dev/null +++ b/processed_data/0397/0397_rtdata_canonical_success.tsv @@ -0,0 +1,256 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0397_00001 C7H6O4 2.13 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0397_00002 C15H16O9 2.61 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0397_00003 C15H14O7 2.7 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 XMOCLSLCDHWDHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00004 C20H20O14 2.95 C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2 FEPAFOYQTIEEIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0397_00005 C7H6O3 2.96 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0397_00006 C16H18O9 3.08 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0397_00007 C15H14O6 3.1 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00008 C15H14O6 3.11 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00009 C8H6O4 3.48 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0397_00010 C9H8O4 3.54 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00011 C16H22O10 3.54 C=CC1C(OC=C2C1(CCOC2=O)O)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2 HEYZWPRKKUGDCR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00012 C30H26O12 3.57 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0397_00013 C8H8O4 3.58 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0397_00014 C16H18O10 3.67 COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3 CRSFLLTWRCYNNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0397_00015 C7H6O3 3.86 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0397_00016 C9H10O5 3.87 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0397_00017 C8H8O3 3.95 C1=CC(=CC(=C1)O)CC(=O)O InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FVMDYYGIDFPZAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0397_00018 C15H14O6 3.96 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00019 C17H24N2O4 3.97 CC(C)(C)OC(=O)N1CCC(C1N)C(=O)OCC2=CC=CC=C2 InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-9-13(14(19)18)15(20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11,18H2,1-3H3 MWWOMPCCBLHWMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0397_00020 C9H10O4 3.98 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0397_00021 C10H12O4 4.07 CC12C3CCC(C1(C(=O)OC2=O)C)O3 InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3 DHZBEENLJMYSHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furofurans (CHEMONTID:0001816) NA (NA) NA (NA) NA (NA) +0397_00022 C16H20O9 4.08 C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2 DUAGQYUORDTXOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00023 C17H26O10 4.08 CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3 AMBQHHVBBHTQBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00024 C15H20O8 4.11 CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3 GEVWHIDSUOMVRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00025 C17H24O10 4.2 CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3 HLXRWTJXGMHOFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00026 C16H22O9 4.2 C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2 VSJGJMKGNMDJCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00027 C25H24O12 4.21 C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35) YDDUMTOHNYZQPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0397_00028 C29H44O12 4.25 CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3 LPMXVESGRSUGHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00029 C10H8O5 4.35 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3 HAVWRBANWNTOJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7,8-dihydroxycoumarins (CHEMONTID:0002644) NA (NA) +0397_00030 C27H30O15 4.51 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 HGUVPEBGCAVWID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00031 C21H20O11 4.65 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0397_00032 C9H8O3 4.67 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00033 C8H8O3 4.68 COC1=C(C=CC(=C1)C=O)O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0397_00034 C21H20O12 4.85 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-13-5-12-15(18(28)16(13)26)10(25)4-11(31-12)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 HYPKUHLLPBGDLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00035 C33H40O19 4.85 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 PEFASEPMJYRQBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00036 C21H20O11 4.86 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2 PLAPMLGJVGLZOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0397_00037 C26H28O16 4.94 C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 YNMFDPCLPIMRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00038 C21H20O11 4.96 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2 KBGKQZVCLWKUDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00039 C9H10O5 5.01 CCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 VFPFQHQNJCMNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0397_00040 C10H8O4 5.01 COC1=C(C=C2C=CC(=O)OC2=C1)O InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3 SYTYLPHCLSSCOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) NA (NA) NA (NA) +0397_00041 C9H10O4 5.05 COC1=CC(=CC(=C1O)OC)C=O InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 KCDXJAYRVLXPFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0397_00042 C22H26O11 5.12 C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2 GLACGTLACKLUJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00043 C9H6O3 5.14 C1=CC(=CC2=C1C=CC(=O)O2)O InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0397_00044 C14H6O8 5.15 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) +0397_00045 C10H8O4 5.33 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0397_00046 C27H30O14 5.33 CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3 ZIIBNXKQZAUBRD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00047 C10H10O4 5.36 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00048 C27H30O16 5.37 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00049 C21H20O12 5.38 CC1C(C(C(C(O1)OC2=CC(=CC(=C2O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)O InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)33-12-3-7(2-10(24)15(12)26)20-18(29)16(27)13-9(23)4-8(22)5-11(13)32-20/h2-6,14,17,19,21-26,28-30H,1H3 KPKDFSLIRPVPJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00050 C27H32O15 5.41 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3 OMQADRGFMLGFJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00051 C11H12O5 5.42 COC1=CC(=CC(=C1O)OC)C=CC(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00052 C21H20O12 5.44 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00053 C22H26O12 5.44 C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2 UXSACQOOWZMGSE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00054 C21H20O10 5.46 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2 SGEWCQFRYRRZDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0397_00055 C42H38O20 5.46 C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58) IPQVTOJGNYVQEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00056 C21H18O11 5.47 C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30) WYKUTTFFZMQCGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00057 C21H20O12 5.54 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2 BBFYUPYFXSSMNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00058 C15H12O7 5.58 C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H CXQWRCVTCMQVQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0397_00059 C21H20O12 5.59 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00060 C10H8O4 5.66 COC1=C(C2=C(C=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3 KIGCGZUAVODHMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) NA (NA) NA (NA) +0397_00061 C9H8O3 5.67 C1=CC(=CC(=C1)O)C=CC(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) KKSDGJDHHZEWEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00062 C21H18O12 5.7 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30) VSUOKLTVXQRUSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0397_00063 C21H20O11 5.78 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2 PEFNSGRTCBGNAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00064 C23H28O13 5.84 COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3 AKNILCMFRRDTEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) +0397_00065 C29H36O15 5.94 CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3 FBSKJMQYURKNSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0397_00066 C9H6O2 6.03 C1=CC=C2C(=C1)C(=O)C=CO2 InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H OTAFHZMPRISVEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0397_00067 C16H18O6 6.08 CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3 ATDBDSBKYKMRGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) Furanochromones (CHEMONTID:0001735) +0397_00068 C28H32O16 6.25 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00069 C27H30O14 6.34 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3 FKIYLTVJPDLUDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00070 C21H20O11 6.34 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2 JPUKWEQWGBDDQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00071 C10H10O3 6.35 COC1=C(C=CC(=C1)C=CC=O)O InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3 DKZBBWMURDFHNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0397_00072 C21H24O9 6.35 COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3 GKAJCVFOJGXVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0397_00073 C42H38O20 6.35 C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58) IPQVTOJGNYVQEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00074 C21H20O11 6.41 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3 OXGUCUVFOIWWQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00075 C26H28O14 6.47 C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2 NTDLXWMIWOECHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00076 C27H30O15 6.53 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 RTATXGUCZHCSNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00077 C21H20O11 6.56 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2 YPWHZCPMOQGCDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00078 C21H20O12 6.58 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2 OIUBYZLTFSLSBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00079 C9H8O3 6.63 C1=CC=C(C(=C1)C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12) PMOWTIHVNWZYFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00080 C21H20O10 6.65 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00081 C10H8O3 6.67 CC1=CC(=O)OC2=C1C=CC(=C2)O InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 HSHNITRMYYLLCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0397_00082 C28H32O15 6.78 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 GZSOSUNBTXMUFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00083 C15H10O8 6.79 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00084 C28H34O15 6.9 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 QUQPHWDTPGMPEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00085 C15H10O6 6.94 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H XHEFDIBZLJXQHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00086 C9H6O3 7.04 C1=CC=C2C(=C1)C(=CC(=O)O2)O InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H VXIXUWQIVKSKSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0397_00087 C9H6O2 7.13 C1=CC=C2C(=C1)C=CC(=O)O2 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0397_00088 C28H34O15 7.17 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 ARGKVCXINMKCAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00089 C11H10O4 7.18 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 GUAFOGOEJLSQBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0397_00090 C21H23O10 7.28 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)[O-])O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/p-1 IOUVKUPGCMBWBT-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00091 C14H12O3 7.31 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0397_00092 C21H22O9 7.33 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2 AFHJQYHRLPMKHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) NA (NA) NA (NA) NA (NA) +0397_00093 C24H28O11 7.38 C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)O InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2 XZGPUOQGERGURE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acid esters (CHEMONTID:0003480) NA (NA) NA (NA) +0397_00094 C20H26O6 7.42 COC1=C(C=CC(=C1)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO)O InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3 PUETUDUXMCLALY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Dibenzylbutane lignans (CHEMONTID:0001969) Dibenzylbutanediol lignans (CHEMONTID:0001624) NA (NA) NA (NA) +0397_00095 C15H10O7 7.56 C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H YXOLAZRVSSWPPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00096 C15H18O4 7.57 CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2 InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3 ZVLOPMNVFLSSAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) NA (NA) +0397_00097 C21H22O9 7.74 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2 AFHJQYHRLPMKHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) NA (NA) NA (NA) NA (NA) +0397_00098 C29H42O10 7.85 CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3 HULMNSIAKWANQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00099 C22H22O9 7.93 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3 MGJLSBDCWOSMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0397_00100 C15H10O4 7.94 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0397_00101 C36H54O14 7.98 CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3 FHIREUBIEIPPMC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00102 C42H72O14 8.24 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3 YURJSTAIMNSZAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00103 C15H12O6 8.26 C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O)O InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H CRBYNQCDRNZCNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0397_00104 C20H24O9 8.28 CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3 FPUXKXIZEIDQKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Diterpene lactones (CHEMONTID:0001538) Ginkgolides and bilobalides (CHEMONTID:0001768) +0397_00105 C20H26O7 8.32 CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)CO InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3 ZTDFZLVUIVPZDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0397_00106 C15H20O3 8.34 CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3 PLSSEPIRACGCBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Eudesmanolides, secoeudesmanolides, and derivatives (CHEMONTID:0001772) +0397_00107 C48H78O20 8.38 CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3 BNMGUJRJUUDLHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00108 C15H10O7 8.43 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00109 C15H10O6 8.44 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00110 C10H8O3 8.55 COC1=CC2=C(C=C1)C=CC(=O)O2 InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 LIIALPBMIOVAHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0397_00111 C20H30O5 8.55 CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3 BOJKULTULYSRAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0397_00112 C12H14O5 8.56 COC1=CC(=CC(=C1OC)OC)C=CC(=O)O InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14) YTFVRYKNXDADBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0397_00113 C16H16O6 8.56 CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3 PEWFWDOPJISUOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00114 C14H8O4 8.68 C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H APAJFZPFBHMFQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00115 C14H12O3 8.84 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0397_00116 C9H8O2 8.88 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0397_00117 C17H18O7 8.94 CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3 PKRPFNXROFUNDE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00118 C23H34O5 9.23 CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3 PVAMXWLZJKTXFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0397_00119 C10H6O3 9.24 C1=CC2=C(C(=O)C=CC2=O)C(=C1)O InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H KQPYUDDGWXQXHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthoquinones (CHEMONTID:0000153) NA (NA) NA (NA) +0397_00120 C24H30O11 9.25 CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3 KVRQGMOSZKPBNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00121 C11H6O3 9.31 C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H ZCCUUQDIBDJBTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00122 C48H78O19 9.31 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3 WYQVAPGDARQUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00123 C15H12O5 9.54 C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H AYMYWHCQALZEGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0397_00124 C14H12O5 9.56 CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3 HSMPDPBYAYSOBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) Furanochromones (CHEMONTID:0001735) +0397_00125 C9H8O 9.59 C1=CC=C(C=C1)C=CC=O InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H KJPRLNWUNMBNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0397_00126 C15H12O5 9.59 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0397_00127 C15H10O5 9.64 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0397_00128 C13H10O4 9.67 CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3 InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3 NZVQLVGOZRELTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) Furanochromones (CHEMONTID:0001735) +0397_00129 C25H22O10 9.74 COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3 SEBFKMXJBCUCAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Flavonolignans (CHEMONTID:0001844) NA (NA) NA (NA) NA (NA) +0397_00130 C15H10O5 9.75 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00131 C22H30O6 9.78 CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3 BDQNCUODBJZKIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Quassinoids (CHEMONTID:0002119) NA (NA) +0397_00132 C15H8O5 9.8 C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H ZZIALNLLNHEQPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Coumestans (CHEMONTID:0000354) NA (NA) NA (NA) +0397_00133 C22H28O6 9.85 CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3 IOSXSVZRTUWBHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Quassinoids (CHEMONTID:0002119) NA (NA) +0397_00134 C15H14O5 9.88 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0397_00135 C15H10O6 9.94 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00136 C12H8O4 9.98 COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 QXKHYNVANLEOEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00137 C49H76O20 10.02 CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3 JAYAGJDXJIDEKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00138 C12H18O3 10.04 CCC=CCC1C(CCC1=O)CC(=O)O InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15) ZNJFBWYDHIGLCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) Jasmonic acids (CHEMONTID:0000512) NA (NA) +0397_00139 C16H12O6 10.06 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3 SCZVLDHREVKTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 3'-O-methylated flavonoids (CHEMONTID:0002595) NA (NA) +0397_00140 C16H12O6 10.18 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 MBNGWHIJMBWFHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0397_00141 C38H60O18 10.18 CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3 UEDUENGHJMELGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) Steviol glycosides (CHEMONTID:0001756) +0397_00142 C41H64O14 10.18 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3 LTMHDMANZUZIPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00143 C16H12O7 10.26 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00144 C16H14O6 10.28 COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 AIONOLUJZLIMTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0397_00145 C14H18O4 10.68 CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17) GLEVLJDDWXEYCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) NA (NA) NA (NA) +0397_00146 C42H72O14 10.83 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3 UZIOUZHBUYLDHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00147 C22H22O8 10.88 COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3 YJGVMLPVUAXIQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan lactones (CHEMONTID:0001510) Podophyllotoxins (CHEMONTID:0000047) NA (NA) NA (NA) +0397_00148 C12H8O4 11.04 COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 BGEBZHIAGXMEMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00149 C15H10O5 11.07 C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2 AMIDUPFSOUCLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00150 C13H10O5 11.1 COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 DFMAXQKDIGCMTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00151 C26H40O8 11.29 CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3 YGCYRQKJYWQXHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0397_00152 C10H8O 11.32 C1=CC=C2C(=C1)C=CC=C2O InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H KJCVRFUGPWSIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthols and derivatives (CHEMONTID:0002441) NA (NA) NA (NA) +0397_00153 C30H42O8 11.48 CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3 MYEJFUXQJGHEQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Bufanolides and derivatives (CHEMONTID:0001557) NA (NA) +0397_00154 C16H12O4 11.54 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0397_00155 C28H38O6 11.74 CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3 DBRXOUCRJQVYJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Withanolides and derivatives (CHEMONTID:0001560) NA (NA) +0397_00156 C16H14O5 11.77 CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3 CTJZWFCPUDPLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00157 C14H8O4 11.82 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H RGCKGOZRHPZPFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00158 C16H12O7 11.88 COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3 JGUZGNYPMHHYRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0397_00159 C11H8O3 12.09 CC1=CC(=O)C2=C(C1=O)C=CC=C2O InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3 VCMMXZQDRFWYSE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthoquinones (CHEMONTID:0000153) NA (NA) NA (NA) +0397_00160 C15H10O5 12.1 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 YDQWDHRMZQUTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00161 C20H28O4 12.1 CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)CO)O InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3 YIIRVUDGRKEWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0397_00162 C18H16O7 12.3 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 DRRWBCNQOKKKOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 6-O-methylated flavonoids (CHEMONTID:0002591) NA (NA) +0397_00163 C20H20O7 12.32 COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 LKMNXYDUQXAUCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0397_00164 C10H14O 12.47 CC1=CCC(CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 ULDHMXUKGWMISQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0397_00165 C28H38O6 12.53 CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3 AWVMHXZWAKRDGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Withanolides and derivatives (CHEMONTID:0001560) NA (NA) +0397_00166 C41H64O14 12.57 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3 LKRDZKPBAOKJBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00167 C10H16 12.62 CC1(C2CCC(=C)C1C2)C InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 WTARULDDTDQWMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0397_00168 C14H14O3 12.66 COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2 InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3 XEAQIWGXBXCYFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Kavalactones (CHEMONTID:0001761) NA (NA) NA (NA) NA (NA) +0397_00169 C16H12O4 12.72 CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3 NTBUBTCXACOEEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00170 C17H16O6 12.74 CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3 ORBITTMJKIGFNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00171 C10H16 12.75 CC1=CCC2CC1C2(C)C InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 GRWFGVWFFZKLTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0397_00172 C16H14O5 12.8 CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3 QTAGQHZOLRFCBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00173 C15H8O6 12.82 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) FCDLCPWAQCPTKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00174 C16H12O5 12.99 COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 XLTFNNCXVBYBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 8-O-methylated flavonoids (CHEMONTID:0002593) NA (NA) +0397_00175 C15H10O4 13.11 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00176 C19H18O8 13.19 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3 PJQLSMYMOKWUJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0397_00177 C16H12O5 13.2 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 DANYIYRPLHHOCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0397_00178 C14H8O4 13.24 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H JPICKYUTICNNNJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00179 C16H14O5 13.25 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 DJOJDHGQRNZXQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0397_00180 C17H26O4 13.47 CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3 NLDDIKRKFXEWBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00181 C21H20O9 13.53 CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)O InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3 DTTVUKLWJFJOHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00182 C15H16O3 13.73 CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3 LWCKQMHMTSRRAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0397_00183 C15H10O2 13.82 C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2 InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H VHBFFQKBGNRLFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00184 C12H12O4 13.96 CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)C)O InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3 RGTSAUBIQAKKLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0397_00185 C32H48O9 13.96 CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3 JLPDBLFIVFSOCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00186 C36H58O9 14.03 CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43) WYDPEADEZMZKNM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00187 C14H8O2 14.62 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H RZVHIXYEVGDQDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00188 C10H16O 14.63 CC(=CCCC(=CC=O)C)C InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 WTEVQBCEXWBHNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Acyclic monoterpenoids (CHEMONTID:0001127) NA (NA) +0397_00189 C41H64O13 14.65 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3 WDJUZGPOPHTGOT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00190 C26H30O7 14.66 CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3 MAYJEFRPIKEYBL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) Limonoids (CHEMONTID:0002380) NA (NA) +0397_00191 C15H16O4 14.73 CC1=CCCC23C(O2)C(C4=C(C1)OC=C4C)OC3=O InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3 KBMSVODXFLAQNJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxanes (CHEMONTID:0000368) 1,4-dioxanes (CHEMONTID:0001313) NA (NA) NA (NA) +0397_00192 C14H10O 14.77 C1C2=CC=CC=C2C(=O)C3=CC=CC=C31 InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 RJGDLRCDCYRQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) NA (NA) NA (NA) NA (NA) +0397_00193 C21H20O6 14.84 COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 VFLDPWHFBUODDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Diarylheptanoids (CHEMONTID:0002650) Linear diarylheptanoids (CHEMONTID:0002651) Curcuminoids (CHEMONTID:0000356) NA (NA) +0397_00194 C20H30O3 14.94 CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)CO InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3 WKKBRRFSRMDTJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Diterpene lactones (CHEMONTID:0001538) NA (NA) +0397_00195 C16H14O4 15.42 CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3 OLOOJGVNMBJLLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00196 C20H28O4 15.52 CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3 HQLLRHCTVDVUJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0397_00197 C15H12O2 15.6 C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 ZONYXWQDUYMKFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0397_00198 C15H10O5 15.8 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 RHMXXJGYXNZAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00199 C41H66O12 15.81 CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49) KEOITPILCOILGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00200 C14H8O3 15.91 C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H BTLXPCBPYBNQNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00201 C43H66O14 16.04 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3 HPMZBILYSWLILX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00202 C15H20O2 16.49 CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3 HRYLQFBHBWLLLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0397_00203 C15H10O4 16.64 CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3 IRZTUXPRIUZXMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0397_00204 C23H26O7 16.85 CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3 HLOCLVMUASBDDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0397_00205 C16H14O4 16.85 CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 IGWDEVSBEKYORK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00206 C15H12O 16.85 C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2 InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H DQFBYFPFKXHELB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) Retrochalcones (CHEMONTID:0003474) NA (NA) +0397_00207 C15H18O2 16.91 C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2 NETSQGRTUNRXEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Guaianolides and derivatives (CHEMONTID:0001770) +0397_00208 C18H14O3 16.92 CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3 HARGZZNYNSYSGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00209 C19H30O4 16.97 CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3 BCIWKKMTBRYQJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00210 C21H22O5 17.16 CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(O4)(C)C InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3 OOKSPQLCQUBEKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00211 C19H12O2 17.27 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H OUGIDAPQYNCXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00212 C21H28O2 17.45 CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3 WDXRGPWQVHZTQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0397_00213 C17H24O3 17.46 CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3 OQWKEEOHDMUXEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Shogaols (CHEMONTID:0001708) NA (NA) +0397_00214 C19H18O4 17.66 CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)O InChI=1S/C19H18O4/c1-9(2)16-17(21)14-5-4-13-10(3)6-12(20)7-11(13)8-15(14)18(22)19(16)23/h5-9,20-21H,4H2,1-3H3 DCRQQKPWFBDFPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0397_00215 C44H70O16 17.92 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3 FHKHGNFKBPFJCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00216 C15H10O4 18.11 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 LQGUBLBATBMXHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00217 C45H72O16 18.14 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3 VNONINPVFQTJOC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00218 C18H12O3 18.27 CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3 AIGAZQPHXLWMOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00219 C19H20O3 18.34 CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3 GVKKJJOMQCNPGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00220 C19H12O6 18.37 C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 DOBMPNYZJYQDGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0397_00221 C19H12O2 18.37 C1=CC=C(C=C1)C2=CC(=O)C3=CC4=CC=CC=C4C=C3O2 InChI=1S/C19H12O2/c20-17-12-18(13-6-2-1-3-7-13)21-19-11-15-9-5-4-8-14(15)10-16(17)19/h1-12H KUHLNOSGIHMGFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0397_00222 C30H48O4 18.89 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34) PGOYMURMZNDHNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00223 C30H48O4 19.2 CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) YKOPWPOFWMYZJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00224 C15H22O2 19.52 CC1CCC(C2=C(CCC12)C)C=C(C)C(=O)O InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17) FEBNTWHYQKGEIQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) NA (NA) NA (NA) +0397_00225 C16H12O5 19.53 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 FFWOKTFYGVYKIR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0397_00226 C21H34O4 20.15 CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3 AIULWNKTYPZYAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00227 C22H10O2 20.27 C1=CC2=C3C(=C1)C(=O)C4=C5C3=C(C=C2)C(=O)C6=CC=CC(=C65)C=C4 InChI=1S/C22H10O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-10H PGEHNUUBUQTUJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Pyrenes (CHEMONTID:0001851) Benzopyrenes (CHEMONTID:0000316) NA (NA) NA (NA) +0397_00228 C30H46O4 20.39 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00229 C33H52O8 20.45 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1 InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3 WXMARHKAXWRNDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00230 C19H18O3 20.77 CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3 HYXITZLLTYIPOF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00231 C27H42O4 20.91 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1 InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3 QMQIQBOGXYYATH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00232 C19H18O8 20.99 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3 YLOYKYXNDHOHHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0397_00233 C21H22O4 21.03 CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3 SOVNCTNQAWWYAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00234 C20H20O4 21.12 CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)OC InChI=1S/C20H20O4/c1-10(2)17-18(21)15-6-5-14-11(3)7-13(24-4)8-12(14)9-16(15)19(22)20(17)23/h6-10,21H,5H2,1-4H3 NZMUXZBQDVLKSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0397_00235 C21H22O4 22.48 CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3 DBMJZOMNXBSRED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00236 C17H26O4 22.83 CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 IRSFLDGTOHBADP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0397_00237 C15H18 23.28 CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 FWKQNCXZGNBPFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Guaianes (CHEMONTID:0002874) NA (NA) +0397_00238 C30H48O3 23.35 CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33) QGJZLNKBHJESQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00239 C30H48O3 23.82 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33) MIJYXULNPSFWEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00240 C30H48O3 23.96 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33) WCGUUGGRBIKTOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00241 C21H30O2 24.5 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3 CYQFCXCEBYINGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0397_00242 C21H30O2 24.77 CC=CC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2-5,7-8,15,17-18,22-23H,6,9-14,16H2,1H3 IYROWZYPEIMDDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0397_00243 C30H50O2 25.37 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3 XUARCIYIVXVTAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00244 C27H46O 26.06 CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3 HVYWMOMLDIMFJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0397_00245 C21H32O2 26.14 CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3 RMTXUPIIESNLPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0397_00246 C27H42O3 26.36 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3 WQLVFSAGQJTQCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00247 C27H42O3 26.46 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3 WQLVFSAGQJTQCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00248 C27H44O3 27.49 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3 GMBQZIIUCVWOCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00249 C27H44O3 27.54 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3 GMBQZIIUCVWOCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00250 C20H32O3 27.69 CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23) VEPUCZUJLKAVNM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0397_00251 C22H34O3 28.03 CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25) YXHVCZZLWZYHSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0397_00252 C35H52O4 29.14 CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3 KGSZHKRKHXOAMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0397_00253 C24H38O3 29.97 CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27) MBYNDKVOZOAOIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0397_00254 C30H50O 32.78 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3 FSLPMRQHCOLESF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00255 C30H50O 33.82 CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3 MQYXUWHLBZFQQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) diff --git a/processed_data/0397/0397_rtdata_isomeric_failed.tsv b/processed_data/0397/0397_rtdata_isomeric_failed.tsv new file mode 100644 index 000000000..9188033a4 --- /dev/null +++ b/processed_data/0397/0397_rtdata_isomeric_failed.tsv @@ -0,0 +1,100 @@ +id name formula rt smiles.std status inchi.std inchikey.std +0397_00001 C7H6O4 2.13 missing SMILES +0397_00005 C7H6O3 2.96 missing SMILES +0397_00009 C8H6O4 3.48 missing SMILES +0397_00013 C8H8O4 3.58 missing SMILES +0397_00015 C7H6O3 3.86 missing SMILES +0397_00016 C9H10O5 3.87 missing SMILES +0397_00017 C8H8O3 3.95 missing SMILES +0397_00020 C9H10O4 3.98 missing SMILES +0397_00029 C10H8O5 4.35 missing SMILES +0397_00033 C8H8O3 4.68 missing SMILES +0397_00039 C9H10O5 5.01 missing SMILES +0397_00040 C10H8O4 5.01 missing SMILES +0397_00041 C9H10O4 5.05 missing SMILES +0397_00043 C9H6O3 5.14 missing SMILES +0397_00044 C14H6O8 5.15 missing SMILES +0397_00045 C10H8O4 5.33 missing SMILES +0397_00060 C10H8O4 5.66 missing SMILES +0397_00062 C21H18O12 5.7 missing SMILES +0397_00064 C23H28O13 5.84 missing SMILES +0397_00066 C9H6O2 6.03 missing SMILES +0397_00071 C10H10O3 6.35 missing SMILES +0397_00077 C21H20O11 6.56 missing SMILES +0397_00078 C21H20O12 6.58 missing SMILES +0397_00081 C10H8O3 6.67 missing SMILES +0397_00083 C15H10O8 6.79 missing SMILES +0397_00085 C15H10O6 6.94 missing SMILES +0397_00086 C9H6O3 7.04 missing SMILES +0397_00087 C9H6O2 7.13 missing SMILES +0397_00089 C11H10O4 7.18 missing SMILES +0397_00095 C15H10O7 7.56 missing SMILES +0397_00100 C15H10O4 7.94 missing SMILES +0397_00101 C36H54O14 7.98 missing SMILES +0397_00108 C15H10O7 8.43 missing SMILES +0397_00109 C15H10O6 8.44 missing SMILES +0397_00110 C10H8O3 8.55 missing SMILES +0397_00114 C14H8O4 8.68 missing SMILES +0397_00119 C10H6O3 9.24 missing SMILES +0397_00121 C11H6O3 9.31 missing SMILES +0397_00124 C14H12O5 9.56 missing SMILES +0397_00126 C15H12O5 9.59 missing SMILES +0397_00127 C15H10O5 9.64 missing SMILES +0397_00128 C13H10O4 9.67 missing SMILES +0397_00130 C15H10O5 9.75 missing SMILES +0397_00132 C15H8O5 9.8 missing SMILES +0397_00134 C15H14O5 9.88 missing SMILES +0397_00135 C15H10O6 9.94 missing SMILES +0397_00136 C12H8O4 9.98 missing SMILES +0397_00139 C16H12O6 10.06 missing SMILES +0397_00140 C16H12O6 10.18 missing SMILES +0397_00143 C16H12O7 10.26 missing SMILES +0397_00145 C14H18O4 10.68 missing SMILES +0397_00148 C12H8O4 11.04 missing SMILES +0397_00149 C15H10O5 11.07 missing SMILES +0397_00150 C13H10O5 11.1 missing SMILES +0397_00152 C10H8O 11.32 missing SMILES +0397_00154 C16H12O4 11.54 missing SMILES +0397_00157 C14H8O4 11.82 missing SMILES +0397_00158 C16H12O7 11.88 missing SMILES +0397_00159 C11H8O3 12.09 missing SMILES +0397_00160 C15H10O5 12.1 missing SMILES +0397_00162 C18H16O7 12.3 missing SMILES +0397_00163 C20H20O7 12.32 missing SMILES +0397_00164 C10H14O 12.47 missing SMILES +0397_00167 C10H16 12.62 missing SMILES +0397_00169 C16H12O4 12.72 missing SMILES +0397_00171 C10H16 12.75 missing SMILES +0397_00172 C16H14O5 12.8 missing SMILES +0397_00173 C15H8O6 12.82 missing SMILES +0397_00174 C16H12O5 12.99 missing SMILES +0397_00175 C15H10O4 13.11 missing SMILES +0397_00176 C19H18O8 13.19 missing SMILES +0397_00177 C16H12O5 13.2 missing SMILES +0397_00178 C14H8O4 13.24 missing SMILES +0397_00181 C21H20O9 13.53 missing SMILES +0397_00183 C15H10O2 13.82 missing SMILES +0397_00184 C12H12O4 13.96 missing SMILES +0397_00187 C14H8O2 14.62 missing SMILES +0397_00192 C14H10O 14.77 missing SMILES +0397_00195 C16H14O4 15.42 missing SMILES +0397_00197 C15H12O2 15.6 missing SMILES +0397_00198 C15H10O5 15.8 missing SMILES +0397_00200 C14H8O3 15.91 missing SMILES +0397_00203 C15H10O4 16.64 missing SMILES +0397_00204 C23H26O7 16.85 missing SMILES +0397_00205 C16H14O4 16.85 missing SMILES +0397_00211 C19H12O2 17.27 missing SMILES +0397_00214 C19H18O4 17.66 missing SMILES +0397_00216 C15H10O4 18.11 missing SMILES +0397_00218 C18H12O3 18.27 missing SMILES +0397_00220 C19H12O6 18.37 missing SMILES +0397_00221 C19H12O2 18.37 missing SMILES +0397_00225 C16H12O5 19.53 missing SMILES +0397_00227 C22H10O2 20.27 missing SMILES +0397_00230 C19H18O3 20.77 missing SMILES +0397_00232 C19H18O8 20.99 missing SMILES +0397_00234 C20H20O4 21.12 missing SMILES +0397_00236 C17H26O4 22.83 missing SMILES +0397_00237 C15H18 23.28 missing SMILES +0397_00250 C20H32O3 27.69 missing SMILES diff --git a/processed_data/0397/0397_rtdata_isomeric_success.tsv b/processed_data/0397/0397_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..7d1f023d0 --- /dev/null +++ b/processed_data/0397/0397_rtdata_isomeric_success.tsv @@ -0,0 +1,157 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0397_00002 C15H16O9 2.61 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0397_00003 C15H14O7 2.7 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 XMOCLSLCDHWDHP-IUODEOHRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00004 C20H20O14 2.95 C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]2[C@@H]([C@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1 FEPAFOYQTIEEIS-WZKFEGCESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0397_00006 C16H18O9 3.08 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0397_00007 C15H14O6 3.1 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 PFTAWBLQPZVEMU-DZGCQCFKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00008 C15H14O6 3.11 C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 PFTAWBLQPZVEMU-HIFRSBDPSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00010 C9H8O4 3.54 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00011 C16H22O10 3.54 C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1 HEYZWPRKKUGDCR-QBXMEVCASA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00012 C30H26O12 3.57 C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1 XFZJEEAOWLFHDH-NFJBMHMQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0397_00014 C16H18O10 3.67 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1 CRSFLLTWRCYNNX-QBNNUVSCSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0397_00018 C15H14O6 3.96 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0397_00019 C17H24N2O4 3.97 CC(C)(C)OC(=O)N1CCC([C@H]1N)C(=O)OCC2=CC=CC=C2 InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-9-13(14(19)18)15(20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11,18H2,1-3H3/t13?,14-/m0/s1 MWWOMPCCBLHWMK-KZUDCZAMSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0397_00021 C10H12O4 4.07 C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3 InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10- DHZBEENLJMYSHQ-XCVPVQRUSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furofurans (CHEMONTID:0001816) NA (NA) NA (NA) NA (NA) +0397_00022 C16H20O9 4.08 C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1 DUAGQYUORDTXOR-GPQRQXLASA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00023 C17H26O10 4.08 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1 AMBQHHVBBHTQBF-UOUCRYGSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00024 C15H20O8 4.11 C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1 GEVWHIDSUOMVRI-QWNPAUMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00025 C17H24O10 4.2 C[C@H]1CC(=O)[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1 HLXRWTJXGMHOFN-XJSNKYLASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00026 C16H22O9 4.2 C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1 VSJGJMKGNMDJCI-ZASXJUAOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00027 C25H24O12 4.21 C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 YDDUMTOHNYZQPO-RVXRWRFUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0397_00028 C29H44O12 4.25 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 LPMXVESGRSUGHW-HBYQJFLCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00030 C27H30O15 4.51 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 HGUVPEBGCAVWID-KETMJRJWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00031 C21H20O11 4.65 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 ODBRNZZJSYPIDI-VJXVFPJBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0397_00032 C9H8O3 4.67 C1=CC(=CC=C1/C=C/C(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ NGSWKAQJJWESNS-ZZXKWVIFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00034 C21H20O12 4.85 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-13-5-12-15(18(28)16(13)26)10(25)4-11(31-12)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21-/m1/s1 HYPKUHLLPBGDLF-IAAKTDFRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00035 C33H40O19 4.85 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1 PEFASEPMJYRQBW-HKWQTAEVSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00036 C21H20O11 4.86 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 PLAPMLGJVGLZOV-VPRICQMDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0397_00037 C26H28O16 4.94 C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1 YNMFDPCLPIMRFD-KSPKLRDJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00038 C21H20O11 4.96 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 KBGKQZVCLWKUDQ-QNDFHXLGSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00042 C22H26O11 5.12 C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1 GLACGTLACKLUJX-QNAXTHAFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00046 C27H30O14 5.33 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O InChI=1S/C27H30O14/c1-9-19(32)21(34)24(37)27(38-9)39-11-4-2-10(3-5-11)15-7-14(31)17-12(29)6-13(30)18(25(17)40-15)26-23(36)22(35)20(33)16(8-28)41-26/h2-7,9,16,19-24,26-30,32-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,24+,26-,27-/m0/s1 ZIIBNXKQZAUBRD-VVZHCWMZSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00047 C10H10O4 5.36 COC1=C(C=CC(=C1)/C=C/C(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00048 C27H30O16 5.37 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 IKGXIBQEEMLURG-NVPNHPEKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00049 C21H20O12 5.38 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=CC(=C2O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)O InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)33-12-3-7(2-10(24)15(12)26)20-18(29)16(27)13-9(23)4-8(22)5-11(13)32-20/h2-6,14,17,19,21-26,28-30H,1H3/t6-,14-,17+,19+,21-/m0/s1 KPKDFSLIRPVPJF-YDOQJWOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00050 C27H32O15 5.41 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 OMQADRGFMLGFJF-MNPJBKLOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00051 C11H12O5 5.42 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ PCMORTLOPMLEFB-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00052 C21H20O12 5.44 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-DTGCRPNFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00053 C22H26O12 5.44 C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1 UXSACQOOWZMGSE-RWORTQBESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0397_00054 C21H20O10 5.46 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 SGEWCQFRYRRZDC-VPRICQMDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0397_00055 C42H38O20 5.46 C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 IPQVTOJGNYVQEO-AIFLABODSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00056 C21H18O11 5.47 C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)/t12-,16-,18+,19-,21-/m1/s1 WYKUTTFFZMQCGO-HTRBZNBPSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00057 C21H20O12 5.54 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1 BBFYUPYFXSSMNV-HMGRVEAOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00058 C15H12O7 5.58 C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 CXQWRCVTCMQVQX-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0397_00059 C21H20O12 5.59 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-QSOFNFLRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00061 C9H8O3 5.67 C1=CC(=CC(=C1)O)/C=C/C(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ KKSDGJDHHZEWEP-SNAWJCMRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00063 C21H20O11 5.78 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 PEFNSGRTCBGNAN-QNDFHXLGSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00065 C29H36O15 5.94 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1 FBSKJMQYURKNSU-ZLSOWSIRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0397_00067 C16H18O6 6.08 CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1 ATDBDSBKYKMRGZ-ZDUSSCGKSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) Furanochromones (CHEMONTID:0001735) +0397_00068 C28H32O16 6.25 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1 UIDGLYUNOUKLBM-GEBJFKNCSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00069 C27H30O14 6.34 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 FKIYLTVJPDLUDL-SLNHTJRHSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00070 C21H20O11 6.34 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 JPUKWEQWGBDDQB-QSOFNFLRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00072 C21H24O9 6.35 COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 GKAJCVFOJGXVIA-DXKBKAGUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0397_00073 C42H38O20 6.35 C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1 IPQVTOJGNYVQEO-KGFNBKMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0397_00074 C21H20O11 6.41 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 OXGUCUVFOIWWQJ-HQBVPOQASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00075 C26H28O14 6.47 C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 NTDLXWMIWOECHG-YRCFQSNFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00076 C27H30O15 6.53 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 RTATXGUCZHCSNG-QHWHWDPRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0397_00079 C9H8O3 6.63 C1=CC=C(C(=C1)/C=C/C(=O)O)O InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ PMOWTIHVNWZYFI-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0397_00080 C21H20O10 6.65 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 KMOUJOKENFFTPU-QNDFHXLGSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00082 C28H32O15 6.78 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 GZSOSUNBTXMUFQ-YFAPSIMESA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00084 C28H34O15 6.9 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 QUQPHWDTPGMPEX-QJBIFVCTSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00088 C28H34O15 7.17 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 ARGKVCXINMKCAZ-UZRWAPQLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0397_00090 C21H23O10 7.28 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)[O-])O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/p-1/t16-,18-,19+,20-,21-/m1/s1 IOUVKUPGCMBWBT-QNDFHXLGSA-M Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0397_00091 C14H12O3 7.31 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ LUKBXSAWLPMMSZ-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0397_00092 C21H22O9 7.33 C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1 AFHJQYHRLPMKHU-WEZNYRQKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) NA (NA) NA (NA) NA (NA) +0397_00093 C24H28O11 7.38 C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1 XZGPUOQGERGURE-LUVHZPKESA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acid esters (CHEMONTID:0003480) NA (NA) NA (NA) +0397_00094 C20H26O6 7.42 COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)CO)O InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 PUETUDUXMCLALY-HOTGVXAUSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Dibenzylbutane lignans (CHEMONTID:0001969) Dibenzylbutanediol lignans (CHEMONTID:0001624) NA (NA) NA (NA) +0397_00096 C15H18O4 7.57 C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2 InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1 ZVLOPMNVFLSSAA-XEPQRQSNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) NA (NA) +0397_00097 C21H22O9 7.74 C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1 AFHJQYHRLPMKHU-OSYMLPPYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) NA (NA) NA (NA) NA (NA) +0397_00098 C29H42O10 7.85 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 HULMNSIAKWANQO-JQKSAQOKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00099 C22H22O9 7.93 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 MGJLSBDCWOSMHL-MIUGBVLSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0397_00102 C42H72O14 8.24 CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 YURJSTAIMNSZAE-HHNZYBFYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00103 C15H12O6 8.26 C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+ CRBYNQCDRNZCNX-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0397_00104 C20H24O9 8.28 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1 FPUXKXIZEIDQKW-VKMVSBOZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Diterpene lactones (CHEMONTID:0001538) Ginkgolides and bilobalides (CHEMONTID:0001768) +0397_00105 C20H26O7 8.32 C/C/1=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)[C@H](CO)O)C(=C)C(=O)O2)/CO InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1 ZTDFZLVUIVPZDU-QGNHJMHWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0397_00106 C15H20O3 8.34 CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C)O InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1 PLSSEPIRACGCBO-PFFFPCNUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Eudesmanolides, secoeudesmanolides, and derivatives (CHEMONTID:0001772) +0397_00107 C48H78O20 8.38 C[C@@H]1CC[C@@]2(CC[C@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46+,47-,48+/m1/s1 BNMGUJRJUUDLHW-CIZDPPTDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00111 C20H30O5 8.55 C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 BOJKULTULYSRAS-OTESTREVSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0397_00112 C12H14O5 8.56 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+ YTFVRYKNXDADBI-SNAWJCMRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0397_00113 C16H16O6 8.56 CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1 PEWFWDOPJISUOK-CYBMUJFWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00115 C14H12O3 8.84 C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1- LUKBXSAWLPMMSZ-UPHRSURJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0397_00116 C9H8O2 8.88 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0397_00117 C17H18O7 8.94 CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1 PKRPFNXROFUNDE-LLVKDONJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00118 C23H34O5 9.23 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1 PVAMXWLZJKTXFW-VQMOFDJESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0397_00120 C24H30O11 9.25 C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4 InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1 KVRQGMOSZKPBNS-FMHLWDFHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0397_00122 C48H78O19 9.31 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1 WYQVAPGDARQUBT-FGWHUCSPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00123 C15H12O5 9.54 C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ AYMYWHCQALZEGT-ORCRQEGFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0397_00125 C9H8O 9.59 C1=CC=C(C=C1)/C=C/C=O InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ KJPRLNWUNMBNBZ-QPJJXVBHSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0397_00129 C25H22O10 9.74 COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 SEBFKMXJBCUCAI-HKTJVKLFSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Flavonolignans (CHEMONTID:0001844) NA (NA) NA (NA) NA (NA) +0397_00131 C22H30O6 9.78 C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(O3)O)C)OC)C)C)OC InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1 BDQNCUODBJZKIY-NUPPOKJBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Quassinoids (CHEMONTID:0002119) NA (NA) +0397_00133 C22H28O6 9.85 C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1 IOSXSVZRTUWBHC-LBTVDEKVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Quassinoids (CHEMONTID:0002119) NA (NA) +0397_00137 C49H76O20 10.02 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1 JAYAGJDXJIDEKI-PTGWOZRBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00138 C12H18O3 10.04 CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 ZNJFBWYDHIGLCU-HWKXXFMVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) Jasmonic acids (CHEMONTID:0000512) NA (NA) +0397_00141 C38H60O18 10.18 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 UEDUENGHJMELGK-HYDKPPNVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) Steviol glycosides (CHEMONTID:0001756) +0397_00142 C41H64O14 10.18 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 LTMHDMANZUZIPE-PUGKRICDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00144 C16H14O6 10.28 COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 AIONOLUJZLIMTK-AWEZNQCLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0397_00146 C42H72O14 10.83 CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 UZIOUZHBUYLDHW-XUBRWZAZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00147 C22H22O8 10.88 COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 YJGVMLPVUAXIQN-XVVDYKMHSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan lactones (CHEMONTID:0001510) Podophyllotoxins (CHEMONTID:0000047) NA (NA) NA (NA) +0397_00151 C26H40O8 11.29 C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 YGCYRQKJYWQXHG-RDNQFMDVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0397_00153 C30H42O8 11.48 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1 MYEJFUXQJGHEQK-ALRJYLEOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Bufanolides and derivatives (CHEMONTID:0001557) NA (NA) +0397_00155 C28H38O6 11.74 CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 DBRXOUCRJQVYJQ-CKNDUULBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Withanolides and derivatives (CHEMONTID:0001560) NA (NA) +0397_00156 C16H14O5 11.77 CC1([C@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1 CTJZWFCPUDPLME-LLVKDONJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00161 C20H28O4 12.1 C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@@H]2C/C=C/3\C=COC3=O)(C)CO)O InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1 YIIRVUDGRKEWBV-CZUXAOBFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0397_00165 C28H38O6 12.53 CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)CO InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1 AWVMHXZWAKRDGG-MEBIVHGNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Withanolides and derivatives (CHEMONTID:0001560) NA (NA) +0397_00166 C41H64O14 12.57 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)O)O)C)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 LKRDZKPBAOKJBT-CNPIRKNPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00168 C14H14O3 12.66 COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2 InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1 XEAQIWGXBXCYFX-GUOLPTJISA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Kavalactones (CHEMONTID:0001761) NA (NA) NA (NA) NA (NA) +0397_00170 C17H16O6 12.74 CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1 ORBITTMJKIGFNH-LLVKDONJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00179 C16H14O5 13.25 COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 DJOJDHGQRNZXQQ-AWEZNQCLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0397_00180 C17H26O4 13.47 CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 NLDDIKRKFXEWBK-AWEZNQCLSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00182 C15H16O3 13.73 C/C/1=C\CCC2=C[C@H](C3=C(C1)OC=C3C)OC2=O InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4+/t13-/m1/s1 LWCKQMHMTSRRAA-QGQQYVBWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0397_00185 C32H48O9 13.96 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 JLPDBLFIVFSOCC-XYXFTTADSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00186 C36H58O9 14.03 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1 WYDPEADEZMZKNM-ZBKPBKBGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0397_00188 C10H16O 14.63 CC(=CCC/C(=C/C=O)/C)C InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ WTEVQBCEXWBHNA-JXMROGBWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Acyclic monoterpenoids (CHEMONTID:0001127) NA (NA) +0397_00189 C41H64O13 14.65 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 WDJUZGPOPHTGOT-XUDUSOBPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00190 C26H30O7 14.66 C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1 MAYJEFRPIKEYBL-OASIGRBWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) Limonoids (CHEMONTID:0002380) NA (NA) +0397_00191 C15H16O4 14.73 C/C/1=C\CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)OC=C4C)OC3=O InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1 KBMSVODXFLAQNJ-DXGHHDSJSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxanes (CHEMONTID:0000368) 1,4-dioxanes (CHEMONTID:0001313) NA (NA) NA (NA) +0397_00193 C21H20O6 14.84 COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ VFLDPWHFBUODDF-FCXRPNKRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Diarylheptanoids (CHEMONTID:0002650) Linear diarylheptanoids (CHEMONTID:0002651) Curcuminoids (CHEMONTID:0000356) NA (NA) +0397_00194 C20H30O3 14.94 C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1 WKKBRRFSRMDTJB-JYBIWHBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Diterpene lactones (CHEMONTID:0001538) NA (NA) +0397_00196 C20H28O4 15.52 C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 HQLLRHCTVDVUJB-OBHOOXMTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0397_00199 C41H66O12 15.81 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 KEOITPILCOILGM-LLJOFIFVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00201 C43H66O14 16.04 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1 HPMZBILYSWLILX-UMDUKNJSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0397_00202 C15H20O2 16.49 C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 HRYLQFBHBWLLLL-AHNJNIBGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Germacranolides and derivatives (CHEMONTID:0001771) +0397_00206 C15H12O 16.85 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+ DQFBYFPFKXHELB-VAWYXSNFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) Retrochalcones (CHEMONTID:0003474) NA (NA) +0397_00207 C15H18O2 16.91 C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 NETSQGRTUNRXEO-XUXIUFHCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) Sesquiterpene lactones (CHEMONTID:0001543) Guaianolides and derivatives (CHEMONTID:0001770) +0397_00208 C18H14O3 16.92 C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1 HARGZZNYNSYSGJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00209 C19H30O4 16.97 CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1 BCIWKKMTBRYQJU-INIZCTEOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00210 C21H22O5 17.16 C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(O4)(C)C InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+ OOKSPQLCQUBEKU-MDWZMJQESA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Linear furanocoumarins (CHEMONTID:0002569) Psoralens (CHEMONTID:0000202) +0397_00212 C21H28O2 17.45 C/C=C/1\C(=O)CC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15?,17?,18?,20-,21+/m0/s1 WDXRGPWQVHZTQJ-XCTJHIRPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0397_00213 C17H24O3 17.46 CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ OQWKEEOHDMUXEO-BQYQJAHWSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Shogaols (CHEMONTID:0001708) NA (NA) +0397_00215 C44H70O16 17.92 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1 FHKHGNFKBPFJCB-LYLKFOBISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00217 C45H72O16 18.14 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 VNONINPVFQTJOC-ZGXDEBHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00219 C19H20O3 18.34 C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1 GVKKJJOMQCNPGB-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Tanshinones, isotanshinones, and derivatives (CHEMONTID:0002548) NA (NA) +0397_00222 C30H48O4 18.89 C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 PGOYMURMZNDHNS-MYPRUECHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00223 C30H48O4 19.2 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1 YKOPWPOFWMYZJZ-PRIAQAIDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00224 C15H22O2 19.52 C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1 FEBNTWHYQKGEIQ-SUKRRCERSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) NA (NA) NA (NA) +0397_00226 C21H34O4 20.15 CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1 AIULWNKTYPZYAN-SFHVURJKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) Gingerols (CHEMONTID:0001705) NA (NA) +0397_00228 C30H46O4 20.39 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 MPDGHEJMBKOTSU-YKLVYJNSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00229 C33H52O8 20.45 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1 InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1 WXMARHKAXWRNDM-GAMIEDRGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0397_00231 C27H42O4 20.91 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1 InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 QMQIQBOGXYYATH-IDABPMKMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00233 C21H22O4 21.03 CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ SOVNCTNQAWWYAQ-OQLLNIDSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00235 C21H22O4 22.48 CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ DBMJZOMNXBSRED-OQLLNIDSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene lactones (CHEMONTID:0001283) NA (NA) NA (NA) +0397_00238 C30H48O3 23.35 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 QGJZLNKBHJESQX-FZFNOLFKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00239 C30H48O3 23.82 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 MIJYXULNPSFWEK-GTOFXWBISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00240 C30H48O3 23.96 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 WCGUUGGRBIKTOS-GPOJBZKASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00241 C21H30O2 24.5 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 CYQFCXCEBYINGO-IAGOWNOFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0397_00242 C21H30O2 24.77 C/C=C\C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2-5,7-8,15,17-18,22-23H,6,9-14,16H2,1H3/b3-2-,5-4+,8-7- IYROWZYPEIMDDN-XTUOKWOTSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0397_00243 C30H50O2 25.37 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 XUARCIYIVXVTAE-ZAPOICBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00244 C27H46O 26.06 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 HVYWMOMLDIMFJA-DPAQBDIFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0397_00245 C21H32O2 26.14 CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7- RMTXUPIIESNLPW-UTOQUPLUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0397_00246 C27H42O3 26.36 C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 WQLVFSAGQJTQCK-CAKNJAFZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00247 C27H42O3 26.46 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 WQLVFSAGQJTQCK-VKROHFNGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00248 C27H44O3 27.49 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 GMBQZIIUCVWOCD-UQHLGXRBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00249 C27H44O3 27.54 C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 GMBQZIIUCVWOCD-WWASVFFGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0397_00251 C22H34O3 28.03 CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7- YXHVCZZLWZYHSA-FPLPWBNLSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0397_00252 C35H52O4 29.14 CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1 KGSZHKRKHXOAMG-HQKKAZOISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0397_00253 C24H38O3 29.97 CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7- MBYNDKVOZOAOIS-FPLPWBNLSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted 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InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 MQYXUWHLBZFQQO-QGTGJCAVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) diff --git a/processed_data/0397/0397_validation_qspr_outliers.tsv b/processed_data/0397/0397_validation_qspr_outliers.tsv new file mode 100644 index 000000000..179d0cc4d --- /dev/null +++ b/processed_data/0397/0397_validation_qspr_outliers.tsv @@ -0,0 +1,11 @@ +id error +0397_00012 4.355776955581218 +0397_00019 11.999747295686756 +0397_00044 4.775850383545675 +0397_00169 4.542327539711751 +0397_00182 4.445769227567716 +0397_00184 4.651107972325631 +0397_00191 6.537092402221823 +0397_00220 5.5469548741975 +0397_00225 6.33568862603115 +0397_00254 4.832604851102001 diff --git a/processed_data/0398/0398_descriptors_canonical_success.tsv b/processed_data/0398/0398_descriptors_canonical_success.tsv new file mode 100644 index 000000000..96f685d46 --- /dev/null +++ b/processed_data/0398/0398_descriptors_canonical_success.tsv @@ -0,0 +1,51 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 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Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb 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15,20,62,89,95,96,114,118,120,134,145,151,212,266,272,298,300,310,344,347,351,352,394,401,421,445,449,482,487,508,524,530,549,550,596,614,641,644,686,688,727,748,762,772,788,833,844,848,897,898,948,964,968,979,1004 +0398_00034 15,26,44,57,68,89,109,134,153,175,196,209,220,222,237,260,269,336,347,416,421,423,445,473,487,505,507,515,516,540,542,549,550,614,626,669,687,772,778,781,802,834,855,863,889,905,906,921,948,968,998,1004,1010 +0398_00035 15,20,30,89,95,96,114,120,134,145,151,154,212,221,224,272,298,300,309,310,333,347,352,394,401,412,421,449,479,487,494,508,510,549,550,587,598,614,622,662,727,735,736,751,762,772,833,897,898,904,948,951,964,968 +0398_00036 15,20,85,86,89,105,110,111,117,134,136,150,153,191,212,236,240,272,288,323,374,407,479,487,508,520,524,540,545,550,597,602,621,624,635,654,662,666,670,683,686,695,707,714,727,762,767,778,781,785,786,797,852,863,887,896,919,940,948,968,978,991,994,1010,1018 +0398_00037 15,20,62,67,89,95,96,114,118,120,134,145,151,153,212,266,272,298,347,351,394,401,421,445,449,482,487,505,508,524,530,544,550,596,614,623,641,644,663,684,686,688,727,762,772,788,791,805,833,844,848,897,898,948,964,968,979,994,1004 +0398_00038 4,15,26,56,96,111,134,145,175,181,190,222,237,287,307,353,355,362,382,421,466,487,493,524,540,550,687,788,858,889,901,925,954,962,968,969 +0398_00039 1,11,15,23,26,32,39,42,48,89,134,141,144,222,226,231,233,270,291,296,335,340,347,353,367,373,374,375,405,421,427,451,461,465,470,512,526,534,540,545,549,550,580,590,592,626,640,642,654,662,668,670,672,683,699,707,729,740,757,765,774,799,807,808,819,870,948,959,968,977,992 +0398_00040 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0398_00041 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0398_00042 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0398_00043 1,11,15,23,26,29,42,44,48,71,89,134,141,144,152,153,160,175,185,207,222,224,226,231,234,245,269,283,291,296,322,335,340,347,353,367,373,374,375,391,398,405,423,430,451,461,512,521,524,526,534,540,545,549,550,580,590,592,626,640,642,654,668,672,673,729,730,757,765,772,774,808,819,870,911,948,968,976,977,992 +0398_00044 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0398_00045 1,15,64,96,100,134,144,153,160,177,189,196,206,215,245,272,280,289,305,309,346,429,451,454,487,498,542,550,554,561,645,654,655,670,694,714,742,763,773,832,842,844,846,847,850,902,948,968,985,1003,1023 +0398_00046 3,20,44,62,96,125,134,144,145,153,158,207,214,216,221,270,282,294,309,347,350,381,421,427,487,508,521,550,557,588,640,667,670,678,709,727,753,784,791,802,824,847,893,898,905,948,958,968,994,1004 +0398_00047 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0398_00048 15,20,62,67,96,125,134,144,145,153,158,174,178,207,214,216,221,227,270,282,294,347,381,421,427,487,508,516,550,557,588,640,667,678,699,709,727,753,784,791,802,893,898,940,948,958,968,994,998,1004 +0398_00049 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0398_00050 24,36,96,134,138,146,154,182,184,190,220,245,253,254,272,277,329,367,400,405,428,483,487,508,524,550,596,603,612,615,622,654,714,746,748,792,829,872,917,923,929,935,937,948,968,1006 diff --git a/processed_data/0398/0398_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0398/0398_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..00088f0c3 --- /dev/null +++ b/processed_data/0398/0398_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0398_00001 15,20,29,50,89,94,118,134,266,274,293,445,447,456,464,471,473,504,508,524,626,644,653,686,727,772,789,810,869,874,933,948,968 +0398_00002 15,73,81,89,116,134,175,183,237,272,298,371,380,385,393,405,419,487,524,543,550,585,620,651,666,683,686,725,752,772,928,929,937,948,968 +0398_00003 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0398_00004 1,11,15,26,32,42,44,48,72,89,134,151,159,173,218,221,222,226,231,233,253,256,260,291,296,318,332,347,353,374,395,401,444,461,473,482,512,528,534,537,540,550,557,561,592,626,631,634,640,662,717,764,774,869,905,936,959,968,970,1014 +0398_00005 15,20,50,89,118,134,151,242,266,274,293,300,321,326,347,445,464,471,473,504,508,524,549,554,686,727,772,789,810,840,847,864,869,874,933,948,968 +0398_00006 1,11,15,26,42,89,134,140,175,182,191,222,226,231,245,260,267,269,283,291,302,353,373,374,394,398,423,461,485,496,502,508,512,524,534,540,550,555,565,592,595,626,640,666,681,686,718,724,727,774,778,806,830,838,843,853,855,906,940,943,948,951,954,968,1022 +0398_00007 15,73,81,89,116,134,183,245,272,298,332,380,381,385,393,405,419,464,487,508,524,543,550,585,618,651,667,683,686,688,706,725,772,898,905,948,968,1022 +0398_00008 15,62,96,134,145,148,153,175,190,233,270,333,356,421,450,451,487,524,550,586,588,612,662,838,861,888,889,968,972,994,1009,1012 +0398_00009 1,4,11,15,22,26,42,85,87,89,134,175,182,201,222,232,276,285,286,293,318,327,347,353,356,366,387,413,435,441,444,446,461,478,496,497,512,524,534,540,549,550,561,603,606,621,626,637,666,670,686,705,706,709,713,772,778,838,905,936,948,968,989,994,1014,1016 +0398_00010 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0398_00011 1,4,11,15,26,32,42,44,48,72,89,134,151,159,173,182,201,218,221,222,233,253,256,260,286,296,318,347,353,374,378,395,419,444,446,461,473,482,512,528,534,537,540,549,550,557,561,626,631,634,662,705,709,717,764,778,869,905,936,948,959,968,989,1014,1016 +0398_00012 37,53,82,89,96,134,141,145,167,207,224,390,421,429,481,487,550,601,626,647,802,935,948,956,968 +0398_00013 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0398_00014 20,79,96,115,134,145,203,207,298,313,410,421,483,487,508,516,550,553,727,802,881,897,898,931,948,968,990,994,998 +0398_00015 53,96,134,145,167,207,208,224,390,421,442,487,516,550,601,626,628,647,694,725,802,891,920,948,956,968,994,998 +0398_00016 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0398_00017 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0398_00018 15,88,96,134,145,151,157,201,203,245,249,277,299,305,335,343,368,376,405,410,421,437,481,487,495,506,508,515,522,530,550,559,563,654,661,662,669,710,716,741,795,797,840,846,864,867,887,968,975,987 +0398_00019 1,11,15,20,26,41,42,50,54,89,132,134,159,175,222,226,231,275,276,285,291,317,318,331,332,347,353,374,437,444,461,473,478,494,496,507,508,512,516,524,534,540,550,561,592,626,631,640,664,666,686,695,713,727,739,761,762,774,834,838,850,886,891,905,948,968,970,976,982,994,1014 +0398_00020 4,77,134,153,164,181,270,347,356,376,437,481,505,515,549,551,705,706,715,744,778,786,803,913,948,953,968,987 +0398_00021 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0398_00022 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0398_00023 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0398_00024 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0398_00025 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0398_00026 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0398_00027 15,24,91,134,153,185,207,254,270,278,281,290,309,420,422,445,461,515,516,550,560,636,642,652,768,797,802,873,910,948,953,968,973,989,994,998,1012,1021 +0398_00028 15,24,91,134,141,153,162,185,207,254,270,278,281,290,386,418,422,445,461,481,515,550,642,768,797,839,867,873,879,901,910,948,968,973,989,994,1012 +0398_00029 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0398_00030 15,20,89,96,107,125,134,145,153,196,233,294,331,356,388,391,413,421,422,443,487,508,534,550,628,661,662,670,715,727,737,772,773,879,883,928,948,968,994,1009 +0398_00031 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0398_00032 1,11,15,20,26,41,42,50,54,89,132,134,159,175,182,201,222,275,276,285,286,309,317,318,320,331,347,353,378,437,444,461,473,476,478,496,507,508,512,516,520,524,534,539,540,550,561,631,641,664,666,686,689,695,705,709,713,727,739,761,762,834,838,850,886,891,905,948,968,976,982,994,1014 +0398_00033 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0398_00034 15,26,89,109,134,147,153,209,222,237,260,288,299,328,347,355,361,421,473,487,505,515,516,540,542,549,550,554,556,571,588,626,687,727,770,772,778,781,802,808,855,856,863,865,889,905,948,967,968,998,1004,1010 +0398_00035 15,20,89,95,96,134,145,151,154,196,212,218,224,237,272,298,300,310,320,345,347,352,355,394,401,421,443,452,487,508,549,550,551,563,570,598,640,662,670,673,714,717,727,738,762,772,849,897,898,948,964,968,1021 +0398_00036 15,20,51,85,89,105,110,111,126,134,143,145,153,207,212,272,323,373,442,443,474,479,487,508,524,529,540,545,550,597,635,654,662,666,670,683,686,707,710,714,727,744,746,747,762,767,778,781,786,797,829,840,852,863,887,896,933,940,948,968,974,975,991,994,1010,1018 +0398_00037 15,20,89,95,96,99,118,134,145,151,153,172,212,266,272,296,298,307,345,347,355,359,394,401,421,430,445,466,478,487,505,508,524,544,550,551,580,623,651,663,686,692,709,714,727,762,772,791,805,828,849,886,897,898,933,948,964,968,994 +0398_00038 4,15,26,56,96,111,134,145,175,181,190,222,237,287,307,353,355,362,382,421,466,487,493,524,540,550,687,788,858,889,901,925,954,962,968,969 +0398_00039 1,2,11,15,19,25,26,32,42,52,81,82,89,114,132,134,139,141,144,155,176,178,186,196,218,222,226,231,233,269,291,317,334,340,346,347,352,353,366,373,374,405,411,439,461,476,511,512,526,534,540,545,549,550,560,592,595,626,640,642,644,662,668,672,757,765,774,775,789,798,819,865,890,892,948,959,968,977 +0398_00040 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0398_00041 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0398_00042 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0398_00043 1,11,15,26,42,44,58,82,89,113,116,132,134,139,141,144,152,153,160,175,176,185,186,196,209,218,222,226,231,269,291,334,340,347,352,353,366,373,374,394,398,405,430,436,439,461,476,488,511,512,524,526,530,534,540,545,546,549,550,555,560,592,595,626,640,642,644,650,668,672,673,685,765,772,774,789,798,819,847,948,951,968,977 +0398_00044 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0398_00045 1,15,64,96,100,134,144,153,160,177,189,196,206,215,245,272,280,289,305,309,346,429,451,454,487,498,542,550,554,561,645,654,655,670,694,714,742,763,773,832,842,844,846,847,850,902,948,968,985,1003,1023 +0398_00046 16,20,62,87,96,134,144,145,153,174,207,209,214,216,221,241,270,282,294,309,347,421,487,508,543,550,588,610,611,640,653,670,678,727,738,753,765,773,784,802,847,893,898,905,918,943,948,959,968,994,1003,1014 +0398_00047 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0398_00048 15,20,62,67,96,125,134,144,145,153,158,174,178,207,214,216,221,227,270,282,294,347,381,421,427,487,508,516,550,557,588,640,667,678,699,709,727,753,784,791,802,893,898,940,948,958,968,994,998,1004 +0398_00049 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0398_00050 24,36,96,134,138,146,154,182,184,190,220,245,253,254,272,277,329,367,400,405,428,483,487,508,524,550,596,603,612,615,622,654,714,746,748,792,829,872,917,923,929,935,937,948,968,1006 diff --git a/processed_data/0398/0398_fingerprints_maccs_canonical_success.tsv b/processed_data/0398/0398_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..0dabce54c --- /dev/null +++ b/processed_data/0398/0398_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0398_00001 19,50,75,76,83,85,91,93,96,97,98,99,105,108,111,116,121,122,123,128,129,137,139,147,148,154,156,157,158,159,160,161,163,164,165 +0398_00002 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0398_00003 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00004 57,66,72,82,83,91,96,98,99,100,101,104,105,111,112,113,120,121,127,128,129,131,137,139,143,144,145,146,147,151,152,153,156,157,158,159,161,162,163,164,165 +0398_00005 19,50,75,76,83,85,93,96,97,98,99,105,108,111,116,121,122,123,126,128,129,137,147,148,149,154,156,157,158,159,160,161,163,164,165 +0398_00006 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,127,128,129,131,132,137,139,140,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00007 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0398_00008 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0398_00009 57,66,72,75,83,85,86,90,91,93,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00010 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00011 57,66,72,82,83,91,93,96,98,99,100,101,104,105,111,112,113,120,121,126,127,128,129,131,137,139,143,144,145,146,147,151,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00012 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0398_00013 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00014 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0398_00015 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0398_00016 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0398_00017 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0398_00018 19,62,78,79,80,84,92,95,100,104,105,110,111,117,119,120,121,125,127,131,132,133,135,137,142,143,144,145,151,153,154,156,158,161,162,163,164,165 +0398_00019 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00020 72,82,84,89,93,100,104,111,113,126,127,141,143,144,146,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00021 84,104,111,115,151,155,156,158,160,161,162,163,165 +0398_00022 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0398_00023 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00024 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00025 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0398_00026 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00027 28,57,72,83,93,96,104,105,109,111,113,114,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00028 28,57,72,83,84,96,104,105,109,111,113,114,116,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00029 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00030 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0398_00031 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00032 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00033 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00034 53,62,66,82,86,90,91,93,97,100,104,108,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00035 19,83,89,90,91,93,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00036 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0398_00037 19,75,83,85,89,93,96,97,98,105,108,109,111,114,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0398_00038 62,66,75,85,86,98,100,111,112,118,121,122,128,129,133,137,138,145,147,148,153,156,158,161,162,163,165 +0398_00039 57,66,72,74,82,83,89,90,91,93,96,98,100,101,104,105,108,111,112,113,116,118,120,121,126,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00040 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0398_00041 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00042 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0398_00043 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00044 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0398_00045 19,36,50,59,74,76,81,85,86,88,93,99,100,105,111,115,116,122,125,137,138,144,145,147,148,149,153,155,158,160,161,162,163,165 +0398_00046 66,74,85,86,93,97,100,112,114,115,116,122,123,125,126,128,129,132,141,145,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0398_00047 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0398_00048 66,82,86,91,93,97,100,112,114,115,116,123,125,126,128,129,132,141,145,149,151,152,153,154,155,157,158,159,160,161,162,163,164,165 +0398_00049 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0398_00050 38,62,65,75,77,80,85,92,97,98,105,110,113,117,120,121,122,125,127,133,135,137,142,143,144,145,148,149,150,154,156,158,160,161,162,163,164,165 diff --git a/processed_data/0398/0398_fingerprints_maccs_isomeric_success.tsv b/processed_data/0398/0398_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..0dabce54c --- /dev/null +++ b/processed_data/0398/0398_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0398_00001 19,50,75,76,83,85,91,93,96,97,98,99,105,108,111,116,121,122,123,128,129,137,139,147,148,154,156,157,158,159,160,161,163,164,165 +0398_00002 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0398_00003 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00004 57,66,72,82,83,91,96,98,99,100,101,104,105,111,112,113,120,121,127,128,129,131,137,139,143,144,145,146,147,151,152,153,156,157,158,159,161,162,163,164,165 +0398_00005 19,50,75,76,83,85,93,96,97,98,99,105,108,111,116,121,122,123,126,128,129,137,147,148,149,154,156,157,158,159,160,161,163,164,165 +0398_00006 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,127,128,129,131,132,137,139,140,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00007 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0398_00008 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0398_00009 57,66,72,75,83,85,86,90,91,93,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00010 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00011 57,66,72,82,83,91,93,96,98,99,100,101,104,105,111,112,113,120,121,126,127,128,129,131,137,139,143,144,145,146,147,151,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00012 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0398_00013 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00014 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0398_00015 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0398_00016 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0398_00017 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0398_00018 19,62,78,79,80,84,92,95,100,104,105,110,111,117,119,120,121,125,127,131,132,133,135,137,142,143,144,145,151,153,154,156,158,161,162,163,164,165 +0398_00019 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00020 72,82,84,89,93,100,104,111,113,126,127,141,143,144,146,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00021 84,104,111,115,151,155,156,158,160,161,162,163,165 +0398_00022 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0398_00023 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00024 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00025 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0398_00026 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00027 28,57,72,83,93,96,104,105,109,111,113,114,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00028 28,57,72,83,84,96,104,105,109,111,113,114,116,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00029 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00030 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0398_00031 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00032 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0398_00033 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00034 53,62,66,82,86,90,91,93,97,100,104,108,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00035 19,83,89,90,91,93,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0398_00036 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0398_00037 19,75,83,85,89,93,96,97,98,105,108,109,111,114,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0398_00038 62,66,75,85,86,98,100,111,112,118,121,122,128,129,133,137,138,145,147,148,153,156,158,161,162,163,165 +0398_00039 57,66,72,74,82,83,89,90,91,93,96,98,100,101,104,105,108,111,112,113,116,118,120,121,126,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,156,157,158,159,160,161,162,163,164,165 +0398_00040 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0398_00041 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0398_00042 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0398_00043 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0398_00044 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0398_00045 19,36,50,59,74,76,81,85,86,88,93,99,100,105,111,115,116,122,125,137,138,144,145,147,148,149,153,155,158,160,161,162,163,165 +0398_00046 66,74,85,86,93,97,100,112,114,115,116,122,123,125,126,128,129,132,141,145,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0398_00047 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0398_00048 66,82,86,91,93,97,100,112,114,115,116,123,125,126,128,129,132,141,145,149,151,152,153,154,155,157,158,159,160,161,162,163,164,165 +0398_00049 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0398_00050 38,62,65,75,77,80,85,92,97,98,105,110,113,117,120,121,122,125,127,133,135,137,142,143,144,145,148,149,150,154,156,158,160,161,162,163,164,165 diff --git a/processed_data/0398/0398_fingerprints_pubchem_canonical_success.tsv b/processed_data/0398/0398_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..08206ac25 --- /dev/null +++ b/processed_data/0398/0398_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0398_00001 10,11,12,15,19,20,144,146,147,179,184,185,284,285,286,287,309,333,334,339,341,345,346,352,353,366,375,381,391,392,407,417,421,431,435,441,442,444,447,453,465,491,525,536,541,554,557,574,580,581,583,593,600,614,618,620,638,639,641,657,661,668,672,673,679,680,681,684,685,689,690,693,697,699,705 +0398_00002 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0398_00003 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00004 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00005 10,11,12,15,19,20,144,146,147,179,184,185,284,285,286,287,333,334,339,341,345,346,352,353,366,367,375,381,391,392,406,417,421,431,435,441,442,444,447,453,465,491,525,536,541,554,557,574,580,581,583,593,595,600,614,620,638,639,641,657,661,667,672,673,679,680,681,684,685,689,690,693,697,699,705 +0398_00006 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0398_00007 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0398_00008 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0398_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00010 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00011 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00012 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00013 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0398_00014 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0398_00015 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00016 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00017 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0398_00018 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,491,496,503,517,521,525,537,539,546,547,550,553,556,557,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0398_00019 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00020 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,417,431,435,442,447,471,477,491,499,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,619,620,627,631,635,638,640,641,642,644,652,654,656,661,663,665,667,669,678,679,680,681,684,689,690,691,692,697,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0398_00021 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0398_00022 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0398_00023 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0398_00024 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00025 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0398_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00027 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00028 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0398_00029 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00030 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0398_00031 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0398_00032 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00033 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00034 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0398_00035 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00036 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0398_00037 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00038 10,11,12,13,15,179,180,181,182,186,187,193,256,284,285,286,333,334,337,341,345,346,352,356,357,366,371,372,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713 +0398_00039 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,300,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00040 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0398_00041 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0398_00042 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0398_00043 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00044 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0398_00045 10,11,12,13,15,34,179,180,186,187,214,220,256,258,284,285,286,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,384,385,391,392,413,417,431,435,442,447,471,491,501,508,517,521,525,532,533,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,659,661,665,669,678,679,680,689,697,698,709,710,711,713,756,758,819,821 +0398_00046 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,574,575,579,583,585,593,595,596,600,604,605,609,614,615,619,620,635,638,639,641,642,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0398_00047 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0398_00048 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,549,553,557,565,571,574,575,579,583,585,593,595,596,600,604,605,609,614,615,619,620,635,638,639,641,642,644,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0398_00049 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0398_00050 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,380,382,385,386,387,388,390,391,392,397,398,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,488,491,494,496,503,505,507,517,520,521,524,525,531,536,539,540,546,547,550,553,554,556,557,561,565,571,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,637,641,646,648,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,689,693,705,709,710,711,759,822 diff --git a/processed_data/0398/0398_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0398/0398_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..08206ac25 --- /dev/null +++ b/processed_data/0398/0398_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0398_00001 10,11,12,15,19,20,144,146,147,179,184,185,284,285,286,287,309,333,334,339,341,345,346,352,353,366,375,381,391,392,407,417,421,431,435,441,442,444,447,453,465,491,525,536,541,554,557,574,580,581,583,593,600,614,618,620,638,639,641,657,661,668,672,673,679,680,681,684,685,689,690,693,697,699,705 +0398_00002 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0398_00003 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00004 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00005 10,11,12,15,19,20,144,146,147,179,184,185,284,285,286,287,333,334,339,341,345,346,352,353,366,367,375,381,391,392,406,417,421,431,435,441,442,444,447,453,465,491,525,536,541,554,557,574,580,581,583,593,595,600,614,620,638,639,641,657,661,667,672,673,679,680,681,684,685,689,690,693,697,699,705 +0398_00006 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0398_00007 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0398_00008 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0398_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00010 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00011 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00012 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00013 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0398_00014 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0398_00015 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00016 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0398_00017 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0398_00018 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,491,496,503,517,521,525,537,539,546,547,550,553,556,557,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0398_00019 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00020 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,417,431,435,442,447,471,477,491,499,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,619,620,627,631,635,638,640,641,642,644,652,654,656,661,663,665,667,669,678,679,680,681,684,689,690,691,692,697,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0398_00021 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0398_00022 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0398_00023 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0398_00024 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00025 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0398_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00027 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0398_00028 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0398_00029 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00030 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0398_00031 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0398_00032 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00033 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00034 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0398_00035 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00036 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0398_00037 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0398_00038 10,11,12,13,15,179,180,181,182,186,187,193,256,284,285,286,333,334,337,341,345,346,352,356,357,366,371,372,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713 +0398_00039 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,300,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00040 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0398_00041 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0398_00042 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0398_00043 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0398_00044 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0398_00045 10,11,12,13,15,34,179,180,186,187,214,220,256,258,284,285,286,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,384,385,391,392,413,417,431,435,442,447,471,491,501,508,517,521,525,532,533,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,659,661,665,669,678,679,680,689,697,698,709,710,711,713,756,758,819,821 +0398_00046 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,574,575,579,583,585,593,595,596,600,604,605,609,614,615,619,620,635,638,639,641,642,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0398_00047 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0398_00048 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,549,553,557,565,571,574,575,579,583,585,593,595,596,600,604,605,609,614,615,619,620,635,638,639,641,642,644,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0398_00049 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0398_00050 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,380,382,385,386,387,388,390,391,392,397,398,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,488,491,494,496,503,505,507,517,520,521,524,525,531,536,539,540,546,547,550,553,554,556,557,561,565,571,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,637,641,646,648,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,689,693,705,709,710,711,759,822 diff --git a/processed_data/0398/0398_gradient.tsv b/processed_data/0398/0398_gradient.tsv new file mode 100644 index 000000000..fe1a2a1cf --- /dev/null +++ b/processed_data/0398/0398_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.04 100 0 +17 0.04 41.3 58.7 +17.2 0.04 0 100 +20.2 0.04 0 100 diff --git a/processed_data/0398/0398_info.tsv b/processed_data/0398/0398_info.tsv new file mode 100644 index 000000000..c5eee1da6 --- /dev/null +++ b/processed_data/0398/0398_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0398 10.1016/j.chroma.2011.01.060 Submitted by Fangyuan Sun David R. Baker a, Barbara Kasprzyk-Hordern ROASMI_19 diff --git a/processed_data/0398/0398_metadata.tsv b/processed_data/0398/0398_metadata.tsv new file mode 100644 index 000000000..93b14c403 --- /dev/null +++ b/processed_data/0398/0398_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0398 Waters XBridge BEH C18 L1 150 1 1.7 30 0.04 1.875 79.7 20 0 0 0 0 0 0 0 0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.7 0 0 0 0 0 0 0 0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 100 0 0 diff --git a/processed_data/0398/0398_report_canonical.pdf b/processed_data/0398/0398_report_canonical.pdf new file mode 100644 index 000000000..820419287 Binary files /dev/null and b/processed_data/0398/0398_report_canonical.pdf differ diff --git a/processed_data/0398/0398_report_isomeric.pdf b/processed_data/0398/0398_report_isomeric.pdf new file mode 100644 index 000000000..de55f708e Binary files /dev/null and b/processed_data/0398/0398_report_isomeric.pdf differ diff --git a/processed_data/0398/0398_rtdata_canonical_success.tsv b/processed_data/0398/0398_rtdata_canonical_success.tsv new file mode 100644 index 000000000..e42012f43 --- /dev/null +++ b/processed_data/0398/0398_rtdata_canonical_success.tsv @@ -0,0 +1,51 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0398_00001 C9H13NO2 3 CN1C2CCC1C(=CC2)C(=O)O InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12) HZGRVVUQEIBCMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0398_00002 C10H14N2 3.3 CN1CCCC1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0398_00003 C17H19NO3 3.5 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00004 C16H17NO3 3.5 C1CNC2CC3=C4C15C2C=CC(C5OC4=C(C=C3)O)O InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2 ONBWJWYUHXVEJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00005 C10H15NO2 3.6 CN1C2CCC1C(=CC2)C(=O)OC InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3 MPSNEAHFGOEKBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0398_00006 C17H19NO4 3.6 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3 UQCNKQCJZOAFTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00007 C10H12N2O 3.6 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0398_00008 C11H16N2 4.3 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0398_00009 C18H23NO3 4.6 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3 RBOXVHNMENFORY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00010 C18H21NO3 4.8 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00011 C17H19NO3 5.1 COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1 InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3 HKOIXWVRNLGFOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00012 C9H13NO 5.2 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00013 C18H21NO4 5.4 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00014 C10H13NO 5.6 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0398_00015 C10H15NO 5.9 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00016 C10H15NO 5.9 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00017 C7H8N4O2 6.1 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0398_00018 C15H13N3O 6.2 C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3 InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19) OYOUQHVDCKOOAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0398_00019 C19H21NO4 6.4 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3 JJGYGPZNTOPXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00020 C11H17NO3 7 COC1=CC(=CC(=C1OC)OC)CCN InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 RHCSKNNOAZULRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0398_00021 C9H13N 7.5 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0398_00022 C10H15N 7.9 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0398_00023 C10H13NO2 8.1 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00024 C11H15NO2 8.3 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00025 C8H10N4O2 9 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0398_00026 C12H17NO2 9.4 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00027 C12H17NO2 10.3 CCC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3 USWVWJSAJAEEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00028 C11H15NO2 10.3 CCC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3 VHMRXGAIDDCGDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00029 C16H19NO4 10.7 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00030 C14H20N2O 11 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0398_00031 C16H25NO2 11.4 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00032 C21H23NO5 11.4 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3 GVGLGOZIDCSQPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00033 C17H21NO4 11.8 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00034 C15H23NO2 12.5 CNCC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3 VUMQHLSPUAFKKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00035 C16H19NO4 12.8 COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3 InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3 AYDBLCSLKNTEJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00036 C20H25N3O 13.8 CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 VAYOSLLFUXYJDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0398_00037 C18H23NO4 13.9 CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3 InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3 NMPOSNRHZIWLLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00038 C17H25N 14.7 C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2 JTJMJGYZQZDUJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0398_00039 C25H35NO4 15.2 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)O)O4)OC)O InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3 YOYLLRBMGQRFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00040 C22H28N2O 15.3 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0398_00041 C17H27NO2 15.4 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00042 C14H15O2PS2 16.7 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0398_00043 C29H41NO4 17.3 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3 RMRJXGBAOAMLHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00044 C22H30N6O4S 18.8 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0398_00045 C19H21NS 19.2 CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 PHTUQLWOUWZIMZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiepins (CHEMONTID:0000231) Dibenzothiepins (CHEMONTID:0000232) NA (NA) NA (NA) +0398_00046 C22H29NO2 19.6 CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3 XLMALTXPSGQGBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0398_00047 C15H11N3O3 19.8 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0398_00048 C21H27NO2 20.1 CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3 IKACRWYHQXOSGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0398_00049 C21H27NO 20.2 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0398_00050 C16H14N2O 20.2 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3 JEYCTXHKTXCGPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) diff --git a/processed_data/0398/0398_rtdata_isomeric_success.tsv b/processed_data/0398/0398_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..240bd0e67 --- /dev/null +++ b/processed_data/0398/0398_rtdata_isomeric_success.tsv @@ -0,0 +1,51 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0398_00001 C9H13NO2 3 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)O InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1 HZGRVVUQEIBCMS-HTRCEHHLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0398_00002 C10H14N2 3.3 CN1CCC[C@H]1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0398_00003 C17H19NO3 3.5 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00004 C16H17NO3 3.5 C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1 ONBWJWYUHXVEJS-ZTYRTETDSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00005 C10H15NO2 3.6 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1 MPSNEAHFGOEKBI-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0398_00006 C17H19NO4 3.6 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 UQCNKQCJZOAFTQ-ISWURRPUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00007 C10H12N2O 3.6 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0398_00008 C11H16N2 4.3 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0398_00009 C18H23NO3 4.6 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 RBOXVHNMENFORY-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00010 C18H21NO3 4.8 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00011 C17H19NO3 5.1 COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1 InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1 HKOIXWVRNLGFOR-KOFBORESSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00012 C9H13NO 5.2 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00013 C18H21NO4 5.4 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00014 C10H13NO 5.6 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0398_00015 C10H15NO 5.9 C[C@@H]([C@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 KWGRBVOPPLSCSI-WCBMZHEXSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00016 C10H15NO 5.9 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0398_00017 C7H8N4O2 6.1 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0398_00018 C15H13N3O 6.2 C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3 InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19) OYOUQHVDCKOOAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0398_00019 C19H21NO4 6.4 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 JJGYGPZNTOPXGV-SSTWWWIQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00020 C11H17NO3 7 COC1=CC(=CC(=C1OC)OC)CCN InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 RHCSKNNOAZULRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0398_00021 C9H13N 7.5 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0398_00022 C10H15N 7.9 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0398_00023 C10H13NO2 8.1 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00024 C11H15NO2 8.3 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00025 C8H10N4O2 9 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0398_00026 C12H17NO2 9.4 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00027 C12H17NO2 10.3 CCC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3 USWVWJSAJAEEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00028 C11H15NO2 10.3 CCC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3 VHMRXGAIDDCGDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0398_00029 C16H19NO4 10.7 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00030 C14H20N2O 11 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0398_00031 C16H25NO2 11.4 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00032 C21H23NO5 11.4 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 GVGLGOZIDCSQPN-PVHGPHFFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0398_00033 C17H21NO4 11.8 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00034 C15H23NO2 12.5 CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1 VUMQHLSPUAFKKK-HIFRSBDPSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00035 C16H19NO4 12.8 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3 InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 AYDBLCSLKNTEJL-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00036 C20H25N3O 13.8 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 VAYOSLLFUXYJDT-RDTXWAMCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0398_00037 C18H23NO4 13.9 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 NMPOSNRHZIWLLL-XUWVNRHRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0398_00038 C17H25N 14.7 C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2 JTJMJGYZQZDUJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0398_00039 C25H35NO4 15.2 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1 YOYLLRBMGQRFTN-IOMBULRVSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00040 C22H28N2O 15.3 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0398_00041 C17H27NO2 15.4 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0398_00042 C14H15O2PS2 16.7 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0398_00043 C29H41NO4 17.3 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 RMRJXGBAOAMLHD-IHFGGWKQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0398_00044 C22H30N6O4S 18.8 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0398_00045 C19H21NS 19.2 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31 InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- PHTUQLWOUWZIMZ-BOPFTXTBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiepins (CHEMONTID:0000231) Dibenzothiepins (CHEMONTID:0000232) NA (NA) NA (NA) +0398_00046 C22H29NO2 19.6 CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1 XLMALTXPSGQGBX-GCJKJVERSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0398_00047 C15H11N3O3 19.8 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0398_00048 C21H27NO2 20.1 CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3 IKACRWYHQXOSGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0398_00049 C21H27NO 20.2 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0398_00050 C16H14N2O 20.2 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3 JEYCTXHKTXCGPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) diff --git a/processed_data/0398/0398_validation_qspr_outliers.tsv b/processed_data/0398/0398_validation_qspr_outliers.tsv new file mode 100644 index 000000000..441114f59 --- /dev/null +++ b/processed_data/0398/0398_validation_qspr_outliers.tsv @@ -0,0 +1,5 @@ +id error +0398_00008 6.345095842806036 +0398_00018 9.863570788756078 +0398_00047 9.230005734744198 +0398_00050 10.324998908698689 diff --git a/processed_data/0399/0399_descriptors_canonical_success.tsv b/processed_data/0399/0399_descriptors_canonical_success.tsv new file mode 100644 index 000000000..d6fe84f49 --- /dev/null +++ b/processed_data/0399/0399_descriptors_canonical_success.tsv @@ -0,0 +1,102 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0399_00001 11.996291860971837 15.9982605260092 -0.38707478712432775 0.20094949115466512 4.199143182825323 8.415819148723115 0.125 0.314 151.1628670209109 0 2 2.01 10 8 11 0 20 0 0 -0.3350000000000007 0.11222500000000046 45.55490000000001 0 1 1 1 1 0 0 0 1 0 0 0 0.32655178763219705 50 166 11 21.392596905929164 1.9447815369026513 7.845919988831639 4.909027128636316 2.936892860195321 4.459431618637298 49.33 0.75 0.42857142857142855 0 0.894427190999916 1.1447142425533319 0 3.3019272488946267 6.294690380529889 0 0.9654893846056297 0 0 0.14285714285714285 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 4 0 0 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.090909090909092 4.13265306122449 3.2653061224489797 0.125 290.03 0.5454545454545454 115 8.267584713501616 5.181540550352056 4.755446768199098 2.9401663280389134 2.2314841761768762 1.7455584717366839 0.788991132193225 0.5326569984497611 6.164862962722325 3.2490981480278296 2.228060242189872 1.1876733148984593 0.7480265991539314 0.45410082788731404 0.15399015065916904 0.07400723517722868 1.0504768156519497 1.3844708273710706 1.6854806958537267 0.27498904442197425 0.3094837478854465 0.29112077833639016 0.9010475702906076 0 0 0 0.2599310051992921 0 0 0 0 0 0 0.08333333333333333 0.1422588984322123 0 0 0 0.027777777777777776 0.026311488763887718 0 0 1 6 0 1 0 0 0 495.89993748651136 534.7239935281984 652.611949954651 515.8174731728517 326.0907112783203 12.908918372358372 11.996547820626018 16.048283328005645 12.328639797758584 9.162457864578139 0.21628441512333157 -0.09614005244761195 0.005670184512204772 -0.008711629543632873 -0.021083366498465626 2 3 11.456862999999998 22.785137 +0399_00002 11.993426790993098 31.972071849770643 -0.3370946602386463 0.247426744096816 5.715990660165562 11.40680411790245 0 -1.465 250.2784741824586 0 3 1.79 17 11 18 0 27 0 0 -0.8144999999999998 0.6634102499999996 69.0859 0 2 2 2 2 0 0 0 2 0 0 0 0.42107166482392316 86 536 23 34.018409009121825 2.001082882889519 20.0541906126204 4.97380913059661 11.60657235142719 5.169925001442312 105.29 1 0.5 0 0 0 0 5.72915340683671 7.153374515887005 0 0.7937005259840998 0 0 0.4999999999999999 0 0 0 0.41274090611182834 0 1.5000000000000004 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 3 0 0 0 1 0 0 1 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13.432098765432098 5.76 3.728894173602854 0 512.07 0.8235294117647058 268 12.303118619434354 8.077316827624754 7.6535368645543915 5.660546460216062 4.343501483940775 3.31189148027106 2.0400028801787697 1.0088919351819585 8.941715986806754 5.101998235327691 3.6667453011344175 2.317213952005164 1.4169343341471377 0.9124184372986126 0.443490792342165 0.19613260614919026 2.8192718153982885 3.9539361509883735 4.98480673454296 0.74260042576578 0.7969624729545823 0.8124622958890219 1.6876136627761007 0.20412414523193154 0.348461712529338 0.10206207261596577 0.4751436801516161 0.025499585890087693 0.05864037331538409 0.008499861963362563 0 0 0 0.1853954059492991 0.19716878364870322 0 0 0 0.0470227867507653 0.04265973589070849 0 0 2 7 0 0 0 0 0 1179.4587986737988 1339.8445547893236 1829.8815329368053 1670.5277393386993 1323.8526924100488 26.116612314637823 27.893130977962304 34.465782367329915 33.88848827938919 28.54866150953834 0.3512296056758908 -0.23992292259874776 0.18987460689531357 -0.22835279150391088 0.18618227121799938 2 6 20.048069999999996 33.17193 +0399_00003 11.993427016118321 15.99491766211641 -0.34690178604864574 0.17915678050355277 5.17989703762653 9.034695900931846 0.3 1.056 163.21669690222066 0 3 2.34 8 8 12 1 25 0 0 1.0149999999999988 1.0302249999999975 53.2088 0 1 1 1 1 0 0 0 1 0 0 0 0.17841846108339232 54 202 15 23.353011038843853 1.9460842532369877 5.194760984546387 2.5119332884587564 2.6828276960876303 4.584962500721156 29.1 0.75 0.42857142857142855 0.33333333333333337 1.9144534938893847 2.6207413942088964 0 6.083643418932058 5.885267084809706 0 2.381101577952299 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 5 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10.083333333333334 4.888888888888889 2.7777777777777777 0.3 493.02 0.5 127 8.974691494688164 5.753218857624056 4.642739027408409 3.934918959834057 2.496350855831647 1.671807069193636 0.7491334135702086 0.4463839834155876 7.372349905601619 4.019508286134143 2.7406391449774143 1.8846026133480298 0.9835136279091709 0.5705158115376454 0.2182763462570863 0.1075033887507382 1.7067796363998444 2.1434350340293435 2.4814651467361535 0.6102199036066792 0.6355776299157515 0.6130506500822542 0.5948190167920578 0 0.23230780835289197 0 0.2865964657296187 0 0.049104637582399135 0 0 0 0 0.10206207261596577 0.05892556509887897 0 0 0 0.032075014954979206 0.016037507477489603 0 0 0 6 1 1 1 0 0 626.9064157003176 679.906834866577 832.9663581262209 760.5236885655519 524.6316571530763 13.134449336817427 12.664455843493457 15.996547820626022 16.715919461644756 12.328639797758587 0.19623885448324235 -0.06970295511036141 -0.06937979732280596 0.06895313834800157 -0.02862257290984971 1 2 15.829690999999997 28.170309 +0399_00004 11.998999999999988 16.00253490390197 -0.37811489453874647 0.36045153203458236 3.4768997809141675 8.72133150077345 0.5384615384615384 0.3859999999999999 324.289861113017 0 5 1.7899999999999996 14 15 25 1 39 0 0 0.2930999999999999 0.08590760999999995 79.04769999999999 0 3 1 3 1 0 0 2 1 0 0 0 0.32933569824413034 118 1396 29 46.77735677904023 2.033798120827836 29.515442940655916 16.526808478586283 12.988634462069626 5.643856189774724 106.74000000000001 1 0.5 0 0 0 0 8.437662179741114 8.809642297711315 0 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20,56,81,96,134,138,145,151,153,155,159,163,171,172,178,183,207,219,229,231,245,250,282,292,312,347,390,394,421,424,487,498,508,544,550,561,620,626,635,640,665,666,668,676,687,723,727,733,741,762,778,779,862,886,897,909,923,927,942,947,948,966,968,994 +0399_00035 4,13,15,42,52,74,88,89,93,95,117,134,145,150,151,180,193,199,245,268,298,311,347,384,404,422,442,461,465,490,508,515,534,549,571,575,576,578,606,656,681,683,700,705,716,748,772,778,781,782,786,813,833,858,859,871,892,899,941,948,968,973,1005,1011,1012,1013,1022 +0399_00036 4,15,26,42,44,46,74,89,95,105,119,134,175,193,203,245,250,252,347,392,399,404,422,442,461,469,471,483,508,512,515,522,534,549,569,574,576,586,589,608,626,630,632,656,657,681,683,705,711,728,748,778,791,799,804,813,855,858,863,866,908,948,950,968,987,1022 +0399_00037 15,26,35,71,89,111,134,143,144,153,171,189,196,204,206,217,233,244,245,256,260,265,282,286,341,347,350,352,423,424,425,435,461,467,485,488,497,499,508,521,523,524,526,534,538,545,549,557,580,594,618,626,643,651,656,658,666,670,686,689,696,704,711,713,717,719,726,744,763,771,780,799,812,819,832,853,855,859,863,869,878,883,885,894,895,903,906,916,936,937,938,947,948,964,970,974,981,987,993,994,1005,1015 +0399_00038 50,116,134,144,177,201,237,240,257,347,405,481,500,516,529,531,549,579,601,613,671,713,714,739,740,756,778,797,887,916,948,961,977 +0399_00039 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0399_00040 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0399_00041 4,20,25,68,96,134,145,146,170,234,236,271,298,347,353,360,389,421,436,446,487,508,515,516,545,549,550,555,589,609,626,640,705,727,749,778,867,873,897,898,948,955,968,972,999,1011,1018,1019 +0399_00042 20,29,37,68,134,156,230,253,298,330,339,353,508,515,550,555,626,640,676,713,727,867,947,955,968 +0399_00043 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0399_00044 4,13,15,42,44,46,74,88,89,93,95,117,134,150,193,199,245,252,298,311,347,392,404,422,442,461,465,508,515,522,534,549,575,576,578,586,606,630,656,681,683,700,705,716,748,772,778,781,782,786,813,858,863,871,892,899,941,948,968,987,1005,1011,1022 +0399_00045 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0399_00046 20,26,38,57,62,77,81,84,89,94,96,128,134,145,153,233,245,270,295,327,338,366,406,421,422,487,492,499,508,516,522,524,550,575,581,588,589,626,642,648,677,702,727,767,773,807,817,843,853,876,887,901,948,968,1007,1014 +0399_00047 17,20,26,51,65,94,134,153,158,178,220,226,245,260,306,340,405,429,456,508,524,541,550,554,611,613,626,628,648,654,689,726,727,731,776,781,783,827,863,938,946,948,968,972,994,1020 +0399_00048 4,6,13,15,42,44,46,74,86,89,93,95,119,134,148,193,234,245,252,303,318,347,392,394,404,422,442,461,471,508,515,522,534,542,544,549,556,576,578,586,630,648,656,681,683,700,705,748,778,786,813,858,863,877,886,906,941,948,968,987,1005,1011,1013,1022 +0399_00049 9,15,20,26,62,89,94,96,115,134,145,153,175,178,190,207,231,237,270,284,296,318,347,361,371,397,408,415,421,456,461,487,505,508,516,524,544,550,588,589,612,626,647,663,664,673,677,721,727,729,741,752,764,772,776,777,786,801,802,827,851,863,902,935,948,968,969,994,1014 +0399_00050 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0399_00051 20,134,138,151,153,219,347,394,505,508,544,550,620,626,635,640,663,665,676,699,727,733,736,878,897,947,948,966,968,994 +0399_00052 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0399_00053 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0399_00054 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0399_00055 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0399_00056 20,26,72,77,84,89,94,96,128,134,145,148,153,156,203,220,222,233,245,249,255,289,295,327,329,335,338,354,374,405,406,412,418,421,422,461,487,492,499,508,509,516,524,535,550,575,581,589,601,626,648,677,710,727,767,768,770,773,774,789,817,843,853,864,876,948,968,980,987,1007,1021 +0399_00057 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0399_00058 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0399_00059 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0399_00060 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0399_00061 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0399_00062 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0399_00063 15,16,20,26,49,64,73,86,89,98,122,134,152,153,182,190,207,212,220,230,260,273,304,347,348,370,420,461,487,493,499,508,511,520,524,544,549,563,579,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,848,850,858,874,883,885,886,936,948,959,968,974,986,987,988,989,1007 +0399_00064 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0399_00065 15,20,24,39,58,75,77,83,89,94,95,110,120,134,153,180,207,216,220,231,235,251,254,260,298,299,318,319,324,340,347,390,391,441,452,464,477,480,502,508,511,512,525,540,541,577,626,680,727,762,766,767,779,783,802,814,819,821,863,899,904,915,923,928,936,937,948,953,957,964,968,979,994,1008 +0399_00066 9,12,20,35,39,42,62,84,94,107,134,141,145,148,151,152,153,178,180,197,207,225,231,236,254,262,282,314,319,324,347,362,390,396,398,445,469,479,480,481,491,497,508,511,529,552,608,626,638,640,646,667,704,705,727,762,773,775,777,778,779,802,826,832,868,876,912,913,948,977,994,1017 +0399_00067 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0399_00068 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0399_00069 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0399_00070 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0399_00071 10,15,26,35,47,52,71,89,105,130,134,143,144,153,168,170,171,185,189,196,201,206,233,239,244,245,251,256,259,260,265,280,282,286,288,298,313,341,342,347,350,352,382,415,425,430,435,437,461,466,467,488,499,508,523,524,526,530,533,534,538,545,549,580,584,594,618,626,639,651,656,658,670,679,689,696,704,711,713,717,719,744,763,771,776,780,799,812,819,821,852,853,855,863,867,869,883,885,894,895,903,906,916,925,936,937,938,947,948,961,964,970,974,981,987,990,994,1015 +0399_00072 1,15,20,26,29,68,77,89,104,134,158,214,222,237,245,251,276,292,315,325,336,350,400,467,492,493,499,508,515,550,566,567,586,626,640,666,676,703,716,726,733,757,769,772,782,783,830,879,908,947,948,951,968,1008,1011,1014,1022 +0399_00073 15,20,26,49,64,71,73,86,89,98,134,153,182,187,190,207,212,220,227,230,245,273,304,333,347,348,370,372,420,461,487,499,508,511,520,524,544,549,563,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,839,848,850,858,864,885,886,894,913,936,948,959,968,974,977,982,986,987,988,989 +0399_00074 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0399_00075 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 +0399_00076 20,54,62,134,138,151,153,219,265,345,347,391,394,430,508,544,550,620,626,635,640,665,676,727,733,778,805,826,865,879,897,947,948,966,968,994 +0399_00077 20,105,134,153,294,387,393,420,550,577,620,626,635,640,676,679,733,796,897,947,948,966,968,994 +0399_00078 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0399_00079 1,10,15,17,89,103,132,134,182,217,237,245,260,289,301,309,325,353,363,368,394,417,446,452,461,508,515,529,534,554,566,597,626,630,634,640,656,661,668,676,679,683,688,723,762,763,772,775,876,885,927,947,948,968,985,987,1009,1017,1022,1024 +0399_00080 1,12,15,26,59,60,85,86,89,134,146,149,158,222,236,260,276,285,315,325,336,347,350,369,426,449,454,492,493,499,508,515,550,563,566,567,568,585,609,618,626,635,676,696,698,716,733,763,769,772,787,795,812,830,908,936,948,954,968,972,996,1011,1022 +0399_00081 3,8,15,20,43,62,146,153,175,237,265,306,349,436,508,522,524,534,665,727,788,873,915,919,948,954,994 +0399_00082 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0399_00083 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0399_00084 1,15,26,59,77,86,89,104,134,146,149,158,214,222,236,237,245,260,276,292,315,325,336,347,350,369,400,426,492,493,499,508,515,550,566,567,568,585,586,609,626,635,666,696,703,716,726,733,757,769,772,782,783,787,795,812,830,908,948,951,968,972,1011,1014,1022 +0399_00085 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0399_00086 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0399_00087 5,9,12,13,20,35,39,62,84,94,107,128,134,141,145,148,151,152,153,178,180,183,197,207,225,231,236,262,282,289,314,319,324,347,362,390,396,398,399,445,469,479,480,481,497,508,511,520,529,552,556,608,625,626,638,640,646,704,727,762,773,775,777,778,779,802,826,832,868,912,948,977,994,1017 +0399_00088 20,68,90,96,128,134,145,193,230,260,277,298,347,353,421,456,487,505,508,515,516,549,550,555,626,640,727,778,812,897,898,948,955,968,971,972,973,1011,1018 +0399_00089 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0399_00090 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0399_00091 14,15,20,26,48,89,97,119,134,148,174,212,214,220,222,225,229,239,245,288,300,308,313,347,357,380,399,420,467,469,488,492,494,499,507,508,513,518,521,548,551,567,568,571,619,649,662,715,724,727,731,746,762,767,772,778,848,853,886,898,945,948,949,968,1014,1022 +0399_00092 14,15,20,26,47,56,88,89,134,148,174,186,211,212,214,222,245,260,272,288,300,308,347,357,360,380,399,492,499,508,513,518,559,566,567,568,619,630,651,656,699,724,727,746,762,764,772,778,782,788,825,830,848,886,898,916,928,938,942,945,948,964,968,1014,1022 +0399_00093 14,15,20,26,48,58,89,97,119,134,139,148,165,176,207,214,220,222,225,239,245,256,288,301,308,313,347,357,380,399,411,422,469,488,492,494,499,507,508,513,518,521,540,548,551,567,568,571,593,649,662,715,727,731,751,762,767,772,853,875,886,898,903,909,931,948,962,968,1014,1022 +0399_00094 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0399_00095 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0399_00096 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0399_00097 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0399_00098 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0399_00099 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0399_00100 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 +0399_00101 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 diff --git a/processed_data/0399/0399_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0399/0399_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..96817d3a6 --- /dev/null +++ b/processed_data/0399/0399_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,102 @@ +id bits.on +0399_00001 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0399_00002 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0399_00003 20,79,96,115,134,145,203,207,298,313,410,421,483,487,508,516,550,553,727,802,881,897,898,931,948,968,990,994,998 +0399_00004 14,15,35,57,63,65,89,93,105,111,134,138,153,156,175,219,227,245,250,259,298,309,310,347,354,364,381,417,425,453,454,461,508,524,534,539,552,598,605,619,624,626,642,643,657,663,673,676,681,692,748,774,776,837,843,850,863,926,968,980,989,994,1008,1023 +0399_00005 15,17,20,23,26,46,51,57,65,66,94,134,148,153,158,175,227,233,245,265,299,340,356,377,393,405,436,456,508,524,554,575,580,607,611,613,622,626,641,648,654,662,689,727,745,770,783,827,863,931,938,946,948,951,968,972,994,1009,1012 +0399_00006 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0399_00007 2,4,15,26,36,39,73,78,89,108,134,139,153,167,212,220,245,270,326,440,450,461,483,499,508,515,538,573,580,626,635,649,689,706,729,750,767,799,819,825,828,835,860,911,922,936,948,968,974,1007,1016 +0399_00008 14,28,36,58,103,110,134,144,153,188,230,240,245,257,321,359,363,405,411,427,506,508,516,615,662,668,748,821,830,881,948,965,994 +0399_00009 15,57,134,138,156,175,245,250,259,267,268,298,309,354,378,385,417,425,453,461,497,508,524,539,552,575,605,624,626,642,657,663,676,678,681,748,776,850,926,968,989,1008,1012 +0399_00010 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0399_00011 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0399_00012 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0399_00013 20,55,61,111,112,243,259,323,347,508,516,570,604,617,645,655,698,727,762,777,787,915,948,957,970,998,1015 +0399_00014 1,15,20,41,62,89,111,115,153,160,168,206,207,218,221,284,299,303,324,345,347,379,390,416,455,461,477,485,498,500,508,516,524,554,562,569,603,606,626,645,662,666,686,687,699,710,719,727,739,776,797,802,810,843,850,866,887,915,936,948,959,964,974,994,1008,1015 +0399_00015 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0399_00016 1,85,127,134,146,162,172,184,201,209,220,236,255,258,259,276,329,405,424,425,481,490,493,495,508,532,550,609,617,626,716,773,843,860,862,887,934,948,968,987 +0399_00017 15,63,66,96,101,111,134,140,141,144,146,148,175,178,190,220,283,298,312,350,394,405,414,425,479,487,496,503,506,513,524,529,536,550,596,615,662,686,691,773,776,786,797,845,849,872,892,893,931,934,943,948,968,970,978,984,1016,1019,1022 +0399_00018 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0399_00019 47,96,120,134,145,204,213,220,229,245,266,302,392,421,425,459,481,487,508,524,550,572,588,603,610,678,686,722,887,935,943,948,968,1000 +0399_00020 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0399_00021 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0399_00022 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0399_00023 14,28,33,53,58,103,110,134,144,153,193,207,230,245,257,321,352,363,405,411,427,506,508,516,552,615,662,668,669,671,722,748,802,830,948,965,994,1018 +0399_00024 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0399_00025 15,20,51,73,89,95,96,110,134,138,145,151,154,212,262,272,292,298,345,347,355,382,387,394,421,422,487,508,516,520,534,550,551,625,693,714,717,727,762,772,784,849,892,897,898,904,928,964,968 +0399_00026 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0399_00027 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0399_00028 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0399_00029 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0399_00030 15,20,89,95,96,134,145,151,154,196,212,218,224,237,272,298,300,310,320,345,347,352,355,394,401,421,443,452,487,508,549,550,551,563,570,598,640,662,670,673,714,717,727,738,762,772,849,897,898,948,964,968,1021 +0399_00031 14,28,58,103,110,134,144,153,230,245,257,321,329,363,384,405,411,427,450,506,508,516,615,662,668,703,714,739,748,830,908,948,961,965,977,991,994 +0399_00032 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0399_00033 15,20,89,95,96,99,118,134,145,151,153,172,212,266,272,296,298,307,345,347,355,359,394,401,421,430,445,466,478,487,505,508,524,544,550,551,580,623,651,663,686,692,709,714,727,762,772,791,805,828,849,886,897,898,933,948,964,968,994 +0399_00034 20,134,138,151,168,173,300,347,394,508,549,550,620,626,635,640,676,727,733,840,897,947,948,966,968,1004 +0399_00035 4,9,13,15,42,52,55,74,82,89,93,95,134,145,151,180,193,245,268,298,347,384,413,422,442,457,461,490,508,515,534,549,571,575,576,578,598,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,833,858,859,927,937,941,948,964,968,973,1005,1011,1012,1013,1022 +0399_00036 4,15,26,42,44,46,66,74,89,95,119,134,159,175,193,203,245,252,261,310,347,392,399,404,422,442,461,469,471,505,508,512,515,522,525,534,549,574,576,586,608,619,626,630,656,657,673,678,681,683,705,728,740,748,763,776,778,791,804,813,855,858,863,948,968,987,1022 +0399_00037 15,24,26,40,50,77,89,92,103,109,111,113,118,134,144,153,155,165,173,174,180,199,200,211,223,225,237,244,245,249,260,263,282,303,327,347,355,362,367,373,380,391,393,404,406,408,422,424,425,433,461,467,468,473,488,493,499,508,524,534,545,548,549,554,557,579,590,597,606,612,626,666,670,686,696,704,719,723,726,734,780,819,832,851,854,855,869,888,906,919,936,948,962,963,964,974,983,984,985,994,1012 +0399_00038 50,116,134,144,177,201,237,240,257,347,405,481,500,516,529,531,549,579,601,613,671,713,714,739,740,756,778,797,887,916,948,961,977 +0399_00039 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0399_00040 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0399_00041 4,20,25,68,96,134,145,146,170,234,236,271,298,347,353,360,389,421,436,446,487,508,515,516,545,549,550,555,589,609,626,640,705,727,749,778,867,873,897,898,948,955,968,972,999,1011,1018,1019 +0399_00042 20,29,37,68,134,156,230,253,298,330,339,353,508,515,550,555,626,640,676,713,727,867,947,955,968 +0399_00043 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0399_00044 4,9,13,15,42,44,46,55,74,82,89,93,95,134,193,245,252,298,347,392,404,413,422,442,457,461,508,515,522,534,549,575,576,578,586,598,630,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,858,863,927,937,941,948,964,968,987,1005,1011,1022 +0399_00045 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0399_00046 15,20,24,26,59,62,81,82,84,89,94,96,128,134,145,153,192,245,270,311,351,366,371,396,421,487,492,499,508,516,522,524,547,550,588,593,603,624,626,636,677,702,727,743,766,768,773,807,833,851,887,901,904,948,968,1002,1007 +0399_00047 17,20,26,51,65,94,134,153,158,178,220,226,245,260,306,340,405,429,456,508,524,541,550,554,611,613,626,628,648,654,689,726,727,731,776,781,783,827,863,938,946,948,968,972,994,1020 +0399_00048 4,13,15,42,44,46,74,89,93,95,114,119,134,193,226,234,238,245,252,318,347,392,404,422,425,435,442,443,461,471,485,508,515,516,522,534,549,576,578,586,630,656,681,683,700,704,705,747,748,778,786,813,858,863,877,941,948,968,987,999,1001,1005,1011,1022 +0399_00049 13,15,20,24,56,62,65,89,93,94,96,123,134,145,153,175,178,190,207,231,237,270,284,307,311,347,367,371,397,408,415,421,431,477,487,502,505,508,513,516,523,524,540,544,550,569,588,626,642,645,663,669,677,686,727,772,776,786,802,814,827,851,863,906,921,935,948,968,994 +0399_00050 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0399_00051 20,134,138,151,153,219,347,394,505,508,544,550,620,626,635,640,663,665,676,699,727,733,736,878,897,947,948,966,968,994 +0399_00052 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0399_00053 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0399_00054 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0399_00055 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0399_00056 15,20,24,26,59,84,89,94,96,103,128,134,145,156,192,203,220,222,245,249,255,289,311,335,351,354,371,374,396,405,412,418,421,461,464,487,492,499,508,509,516,524,535,547,550,593,601,603,624,626,636,677,701,710,727,766,768,773,774,789,826,833,851,864,904,948,968,980,987,1007,1021 +0399_00057 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0399_00058 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0399_00059 3,15,24,25,26,32,34,39,78,83,87,89,105,128,134,136,144,153,157,167,173,174,184,185,192,200,220,244,245,254,260,278,302,309,315,320,325,335,336,347,355,382,385,388,391,396,442,443,448,449,452,461,463,467,468,471,493,499,501,508,518,534,540,549,553,555,557,566,576,590,591,626,649,670,677,689,696,700,703,704,709,711,718,719,761,762,767,768,780,797,806,819,825,850,855,858,866,869,870,873,875,878,881,890,891,910,911,930,933,936,948,952,953,955,960,962,964,966,968,974,986,994,1007,1021 +0399_00060 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0399_00061 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0399_00062 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0399_00063 2,7,15,20,26,49,89,134,146,153,158,167,206,207,212,220,221,226,283,317,347,348,371,374,393,413,418,420,461,476,492,499,508,511,526,544,556,563,606,612,626,636,640,719,727,744,748,762,767,794,795,802,819,825,832,834,860,871,880,883,885,886,919,936,948,953,959,968,974,985,989,1003 +0399_00064 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0399_00065 15,20,24,39,58,70,75,81,83,89,94,122,134,153,155,175,194,204,207,216,221,226,231,235,238,254,256,260,275,307,318,345,347,390,391,442,452,468,480,500,508,511,519,526,533,578,583,623,626,630,711,727,731,762,767,773,779,783,791,797,802,814,835,863,886,936,948,959,964,968,994,999,1008 +0399_00066 10,20,39,42,62,70,76,94,107,120,134,141,145,148,153,180,184,192,206,207,225,231,262,277,282,290,297,347,362,390,400,410,434,436,445,467,478,480,481,483,490,493,495,497,508,511,517,529,552,579,583,586,596,626,640,644,667,724,727,773,775,778,779,802,826,832,833,876,878,948,963,994,1017 +0399_00067 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0399_00068 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0399_00069 15,17,19,24,26,82,89,92,103,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,251,260,290,303,327,347,380,391,393,404,406,411,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,620,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,856,869,906,919,930,936,948,958,962,963,964,974,983,984,985,994,1021 +0399_00070 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0399_00071 15,24,26,50,52,89,92,103,105,109,118,130,134,144,153,155,165,168,173,174,180,200,211,223,225,237,244,245,249,259,260,272,280,288,298,303,313,327,331,332,347,366,367,380,382,391,393,398,404,406,422,425,430,433,444,461,466,467,468,473,488,493,499,508,533,534,545,548,549,554,557,569,572,579,584,590,597,612,626,639,670,679,696,704,719,723,726,734,776,780,795,819,837,851,852,854,855,867,869,898,906,919,925,936,948,962,963,964,974,983,984,985,987,994,1021 +0399_00072 1,15,26,29,68,85,89,92,109,134,149,159,222,245,251,254,257,276,297,315,325,348,398,400,415,420,467,472,477,496,499,508,515,550,566,586,601,621,626,634,640,648,676,703,733,769,772,811,830,841,879,908,939,947,948,968,1022 +0399_00073 2,15,20,26,30,49,75,89,134,146,153,158,167,207,212,220,221,243,283,317,329,347,348,371,393,396,406,413,418,420,461,476,492,499,508,511,526,544,556,557,563,566,569,612,626,636,640,662,719,727,748,762,767,794,795,802,819,825,834,851,860,871,880,883,885,886,936,948,953,959,968,974,982,989,1003 +0399_00074 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0399_00075 1,7,14,15,26,29,68,85,89,92,134,222,227,240,244,251,257,267,276,315,325,398,402,415,434,457,467,499,515,532,550,566,589,621,626,634,640,648,668,676,733,756,769,772,801,811,814,830,855,879,908,909,931,939,947,948,968,1002,1004,1009,1014,1022 +0399_00076 20,54,62,134,138,151,153,219,265,345,347,391,394,430,508,544,550,620,626,635,640,665,676,727,733,778,805,826,865,879,897,947,948,966,968,994 +0399_00077 20,105,134,153,294,387,393,420,550,577,620,626,635,640,676,679,733,796,897,947,948,966,968,994 +0399_00078 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0399_00079 1,15,17,38,89,99,103,132,134,170,182,217,237,245,260,289,301,302,309,325,353,368,393,394,446,452,461,508,515,529,534,566,626,630,634,640,656,661,668,676,679,683,723,762,772,861,876,880,890,927,947,948,968,985,987,1009,1017,1022,1024 +0399_00080 1,5,15,26,31,49,59,60,78,85,86,87,89,131,134,146,149,222,236,257,260,276,285,315,325,347,370,398,415,499,508,515,529,545,550,566,568,585,608,609,621,626,634,635,648,653,672,696,733,748,769,772,787,795,811,812,830,892,908,936,945,948,968,972,1022 +0399_00081 3,8,15,20,43,62,146,153,175,237,265,306,349,436,508,522,524,534,665,727,788,873,915,919,948,954,994 +0399_00082 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0399_00083 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0399_00084 1,15,26,59,85,86,89,109,134,146,149,159,222,236,245,254,257,260,276,297,315,325,347,348,398,400,415,420,472,477,496,499,508,515,529,545,550,566,568,585,586,601,609,621,626,634,635,648,696,703,733,769,772,787,795,811,812,830,841,908,948,968,972,1022 +0399_00085 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0399_00086 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0399_00087 10,13,20,39,62,70,76,94,107,129,134,141,145,148,153,180,183,184,192,206,207,225,231,262,277,282,290,297,347,362,390,399,410,434,436,445,467,478,480,481,483,490,493,495,497,508,511,517,529,552,556,577,579,586,596,625,626,640,644,724,727,766,773,775,778,779,802,826,832,833,948,963,994,1015,1017 +0399_00088 20,68,90,96,128,134,145,193,230,260,277,298,347,353,421,456,487,505,508,515,516,549,550,555,626,640,727,778,812,897,898,948,955,968,971,972,973,1011,1018 +0399_00089 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0399_00090 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0399_00091 12,14,15,20,26,72,85,88,89,134,140,148,161,165,219,220,222,231,239,245,283,313,316,347,357,358,364,380,399,411,423,436,444,453,469,494,499,508,513,518,568,600,625,629,649,662,703,727,746,755,758,762,767,772,778,801,822,838,853,886,948,968,1019,1022 +0399_00092 15,20,26,45,72,82,85,89,118,134,148,161,174,200,219,222,245,247,260,305,311,316,347,357,358,364,380,399,409,411,422,423,444,459,499,508,513,518,566,568,583,592,606,695,727,746,755,762,772,788,801,821,822,838,848,879,886,916,928,943,948,964,968,1019,1022 +0399_00093 14,15,20,26,58,72,85,88,89,94,134,140,148,161,165,213,220,222,231,239,241,245,313,316,347,352,357,358,380,397,399,404,436,453,469,494,499,508,513,518,540,568,593,610,629,630,649,662,663,703,705,727,740,755,758,762,767,772,778,800,801,833,853,886,891,909,948,968,1002,1019,1022 +0399_00094 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0399_00095 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0399_00096 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0399_00097 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0399_00098 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0399_00099 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0399_00100 15,20,26,41,45,54,62,79,89,91,94,134,151,153,209,240,267,270,271,282,283,338,350,353,382,412,441,449,456,461,495,499,507,508,515,573,601,612,626,640,668,704,715,727,746,759,767,772,778,784,786,797,817,826,830,844,941,948,963,968,977,993,994,1000,1009,1022 +0399_00101 3,6,11,13,15,20,24,32,58,75,83,89,93,107,115,134,144,153,205,216,226,236,238,245,252,256,260,270,275,287,318,345,347,377,383,390,433,452,461,468,508,515,533,534,540,547,578,583,603,626,660,710,727,736,762,767,773,776,789,791,797,814,818,845,861,883,936,938,948,956,961,964,968,974,977,988,994,996,1008 diff --git a/processed_data/0399/0399_fingerprints_maccs_canonical_success.tsv b/processed_data/0399/0399_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..c9b43f1a1 --- /dev/null +++ b/processed_data/0399/0399_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,102 @@ +id bits.on +0399_00001 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00002 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0399_00003 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0399_00004 23,24,49,52,56,57,63,70,71,72,75,78,80,83,85,86,92,94,95,96,97,98,100,102,106,109,110,111,117,118,119,120,121,122,123,124,127,128,129,130,132,133,135,136,137,138,140,142,143,146,147,148,150,152,153,154,155,156,157,158,159,161,162,163,164,165 +0399_00005 25,38,62,65,75,77,79,80,82,85,86,89,91,97,98,100,104,105,106,111,113,114,118,120,121,122,123,125,127,129,131,133,135,136,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00006 84,104,111,115,151,155,156,158,160,161,162,163,165 +0399_00007 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00008 25,37,43,53,65,77,80,82,90,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,138,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00009 23,24,49,52,56,57,63,70,71,72,75,78,83,92,94,95,96,97,100,102,106,109,110,111,117,119,120,121,122,123,124,127,130,132,133,135,136,137,138,140,142,143,146,147,148,150,152,153,154,156,157,158,159,161,162,164,165 +0399_00010 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00011 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00012 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0399_00013 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0399_00014 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00015 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0399_00016 32,33,36,40,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,119,120,121,124,130,131,133,135,137,139,142,148,151,156,158,159,160,161,162,163,164,165 +0399_00017 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0399_00018 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00019 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0399_00020 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0399_00021 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0399_00022 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0399_00023 25,37,43,53,65,74,77,80,82,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00024 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00025 19,49,83,84,89,90,91,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,161,162,163,164,165 +0399_00026 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0399_00027 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00028 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0399_00029 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0399_00030 19,83,89,90,91,93,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00031 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00032 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00033 19,75,83,85,89,93,96,97,98,105,108,109,111,114,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00034 20,72,89,90,91,102,104,108,109,112,113,118,123,124,125,126,127,128,129,130,131,132,136,138,139,140,143,145,146,147,148,149,152,153,154,155,157,159,160,162,163,164,165 +0399_00035 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00036 57,66,72,83,89,93,96,98,99,101,105,112,113,120,123,125,126,127,132,136,137,139,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0399_00037 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00038 25,37,53,65,66,74,77,80,84,93,97,98,106,110,112,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0399_00039 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0399_00040 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00041 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,89,93,102,106,112,113,124,125,126,127,130,131,136,139,140,143,144,145,146,148,150,152,154,157,159,160,162,163,164,165 +0399_00042 53,89,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0399_00043 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0399_00044 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00045 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0399_00046 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00047 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00048 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0399_00049 75,79,83,85,90,91,92,95,96,100,104,108,109,110,111,114,117,118,121,122,123,126,128,131,136,137,138,139,140,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00050 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00051 109,113,114,123,126,127,139,143,146,152,153,154,155,157,159,160,162,163,164,165 +0399_00052 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0399_00053 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0399_00054 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00055 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0399_00056 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00057 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0399_00058 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0399_00059 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00060 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0399_00061 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0399_00062 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0399_00063 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00064 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00065 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0399_00066 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0399_00067 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0399_00068 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0399_00069 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0399_00070 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00071 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00072 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0399_00073 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00074 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0399_00075 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0399_00076 109,113,114,115,116,118,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0399_00077 50,76,99,108,113,114,125,127,129,131,139,143,145,149,152,155,157,159,160,162,163,164,165 +0399_00078 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00079 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0399_00080 39,40,48,55,58,60,61,66,67,69,73,88,90,91,96,102,104,105,106,108,112,113,115,116,118,124,126,127,128,129,130,131,132,136,139,140,143,144,145,146,147,148,150,152,157,159,160,162,163,164,165 +0399_00081 19,47,75,81,85,86,88,100,106,110,111,114,117,118,121,122,128,129,137,138,147,148,153,154,155,156,158,160,161,164,165 +0399_00082 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00083 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0399_00084 39,40,48,55,58,60,61,66,67,69,73,88,96,102,105,106,108,112,113,115,116,118,124,126,127,128,129,130,132,136,139,140,143,144,145,146,147,148,150,152,154,157,159,160,162,163,164,165 +0399_00085 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00086 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0399_00087 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0399_00088 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0399_00089 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0399_00090 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00091 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00092 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00093 26,34,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00094 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0399_00095 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0399_00096 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00097 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0399_00098 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0399_00099 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0399_00100 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0399_00101 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0399/0399_fingerprints_maccs_isomeric_success.tsv b/processed_data/0399/0399_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..cd0a08c78 --- /dev/null +++ b/processed_data/0399/0399_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,102 @@ +id bits.on +0399_00001 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00002 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0399_00003 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0399_00004 23,24,49,52,56,57,63,70,71,72,75,78,80,83,85,86,92,94,95,96,97,98,100,102,106,109,110,111,117,118,119,120,121,122,123,124,127,128,129,130,132,133,135,136,137,138,140,142,143,146,147,148,150,152,153,154,155,156,157,158,159,161,162,163,164,165 +0399_00005 25,38,62,65,75,77,79,80,82,85,86,89,91,97,98,100,104,105,106,111,113,114,118,120,121,122,123,125,127,129,131,133,135,136,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00006 84,104,111,115,151,155,156,158,160,161,162,163,165 +0399_00007 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00008 25,37,43,53,65,77,80,82,90,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,138,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00009 23,24,49,52,56,57,63,70,71,72,75,78,83,92,94,95,96,97,100,102,106,109,110,111,117,119,120,121,122,123,124,127,130,132,133,135,136,137,138,140,142,143,146,147,148,150,152,153,154,156,157,158,159,161,162,164,165 +0399_00010 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00011 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00012 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0399_00013 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0399_00014 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00015 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0399_00016 32,33,36,40,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,119,120,121,124,130,131,133,135,137,139,142,148,151,156,158,159,160,161,162,163,164,165 +0399_00017 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0399_00018 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00019 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0399_00020 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0399_00021 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0399_00022 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0399_00023 25,37,43,53,65,74,77,80,82,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00024 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00025 19,49,83,84,89,90,91,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,161,162,163,164,165 +0399_00026 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0399_00027 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00028 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0399_00029 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0399_00030 19,83,89,90,91,93,96,97,98,104,105,111,121,123,126,127,128,129,132,136,137,140,143,145,146,147,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00031 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00032 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00033 19,75,83,85,89,93,96,97,98,105,108,109,111,114,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00034 93,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0399_00035 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00036 57,66,72,83,89,93,96,98,99,101,105,112,113,120,123,125,126,127,132,136,137,139,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0399_00037 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00038 25,37,53,65,66,74,77,80,84,93,97,98,106,110,112,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0399_00039 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0399_00040 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00041 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,89,93,102,106,112,113,124,125,126,127,130,131,136,139,140,143,144,145,146,148,150,152,154,157,159,160,162,163,164,165 +0399_00042 53,89,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0399_00043 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0399_00044 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0399_00045 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0399_00046 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00047 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00048 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0399_00049 75,79,83,85,90,91,92,95,96,100,104,108,109,110,111,114,117,118,121,122,123,126,128,131,136,137,138,139,140,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00050 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00051 109,113,114,123,126,127,139,143,146,152,153,154,155,157,159,160,162,163,164,165 +0399_00052 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0399_00053 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0399_00054 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00055 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0399_00056 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00057 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0399_00058 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0399_00059 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00060 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0399_00061 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0399_00062 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0399_00063 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00064 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00065 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0399_00066 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0399_00067 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0399_00068 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0399_00069 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0399_00070 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0399_00071 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0399_00072 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0399_00073 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0399_00074 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0399_00075 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0399_00076 109,113,114,115,116,118,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0399_00077 50,76,99,108,113,114,125,127,129,131,139,143,145,149,152,155,157,159,160,162,163,164,165 +0399_00078 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0399_00079 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0399_00080 39,40,48,55,58,60,61,66,67,69,73,88,90,91,96,102,104,105,106,108,112,113,115,116,118,124,126,127,128,129,130,131,132,136,139,140,143,144,145,146,147,148,150,152,157,159,160,162,163,164,165 +0399_00081 19,47,75,81,85,86,88,100,106,110,111,114,117,118,121,122,128,129,137,138,147,148,153,154,155,156,158,160,161,164,165 +0399_00082 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00083 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0399_00084 39,40,48,55,58,60,61,66,67,69,73,88,96,102,105,106,108,112,113,115,116,118,124,126,127,128,129,130,132,136,139,140,143,144,145,146,147,148,150,152,154,157,159,160,162,163,164,165 +0399_00085 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00086 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0399_00087 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0399_00088 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0399_00089 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0399_00090 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0399_00091 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00092 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00093 26,34,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0399_00094 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0399_00095 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0399_00096 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0399_00097 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0399_00098 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0399_00099 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0399_00100 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0399_00101 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0399/0399_fingerprints_pubchem_canonical_success.tsv b/processed_data/0399/0399_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..d8863b555 --- /dev/null +++ b/processed_data/0399/0399_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,102 @@ +id bits.on +0399_00001 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0399_00002 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0399_00003 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0399_00004 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,284,285,286,287,301,302,333,340,342,345,346,347,352,353,356,366,367,371,372,377,381,382,385,391,392,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,453,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,541,542,543,546,547,549,550,553,554,556,557,559,565,566,567,571,574,575,577,579,580,583,585,590,593,594,595,596,598,600,601,604,605,607,608,609,613,614,615,616,620,621,624,627,633,634,635,638,641,642,645,646,647,652,656,657,660,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0399_00005 10,11,12,15,16,17,19,20,179,181,182,186,188,189,193,195,196,256,257,258,259,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,360,366,371,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,393,394,397,398,404,407,417,419,421,431,433,436,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,505,507,520,521,522,524,525,529,531,536,539,541,546,549,550,553,554,556,557,561,565,570,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,594,596,597,598,601,602,604,608,609,612,614,618,619,620,622,624,625,629,634,635,637,638,639,641,642,643,644,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,681,684,685,692,696,703,709,710 +0399_00006 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0399_00007 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0399_00008 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0399_00009 10,11,12,15,16,19,20,21,144,146,147,151,154,256,257,284,285,286,287,301,302,333,342,345,346,347,352,353,356,366,367,371,372,377,381,382,385,391,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,453,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,541,542,543,546,547,549,550,553,554,556,557,559,565,566,567,571,574,575,577,579,580,583,585,590,593,595,596,598,600,601,604,605,607,608,609,613,615,616,620,621,624,627,633,634,635,638,641,642,645,646,647,652,656,660,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0399_00010 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0399_00011 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0399_00012 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0399_00013 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0399_00014 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0399_00015 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0399_00016 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,309,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,409,413,415,417,419,422,423,435,438,442,443,447,450,451,458,459,465,466,468,471,481,482,487,490,491,503,508,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,645,661,665,666,669,678,679,680,684,726,789 +0399_00017 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0399_00018 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0399_00019 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0399_00020 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0399_00021 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0399_00022 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0399_00023 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0399_00024 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00025 10,11,12,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00026 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0399_00027 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10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0399_00029 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0399_00030 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00031 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10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0399_00038 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,352,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,561,573,597,637,644,655 +0399_00039 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 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10,11,12,19,20,21,34,179,180,186,187,256,258,284,285,287,294,309,333,334,342,345,353,354,356,357,367,371,372,375,382,383,384,385,406,407,409,415,417,421,431,433,435,442,444,447,458,459,460,466,471,477,482,491,494,499,517,521,525,532,533,535,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,721,737,741,757,763,778,784,800,804,820,826 +0399_00042 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10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0399_00046 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0399_00047 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10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0399_00053 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0399_00054 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0399_00055 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0399_00056 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0399_00057 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00058 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0399_00059 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0399_00060 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00061 10,11,15,16,19,20,21,31,34,35,144,146,147,256,257,284,286,287,294,301,315,366,367,369,375,391,397,406,408,412,413,419,421,422,423,452,454,468,476,490,497,509,519,522,541,647 +0399_00062 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0399_00063 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0399_00064 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0399_00065 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0399_00066 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0399_00067 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0399_00068 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0399_00069 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00070 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0399_00071 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00072 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0399_00073 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0399_00074 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0399_00075 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0399_00076 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00077 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0399_00078 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0399_00079 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0399_00080 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,409,417,431,435,442,447,459,460,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0399_00081 10,11,12,15,19,34,214,216,217,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0399_00082 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0399_00083 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0399_00084 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,409,417,421,431,433,435,442,444,447,459,460,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0399_00085 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0399_00086 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0399_00087 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0399_00088 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0399_00089 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0399_00090 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0399_00091 10,11,12,13,19,20,21,144,145,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,565,580,583,600,606,615,638,641,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00092 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,580,583,600,606,615,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00093 10,11,12,13,19,20,21,144,145,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,565,574,580,583,595,600,606,615,638,641,661,665,667,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00094 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0399_00095 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0399_00096 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0399_00097 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0399_00098 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0399_00099 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0399_00100 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0399_00101 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0399/0399_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0399/0399_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..f73836b17 --- /dev/null +++ b/processed_data/0399/0399_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,102 @@ +id bits.on +0399_00001 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0399_00002 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0399_00003 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0399_00004 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,284,285,286,287,301,302,333,340,342,345,346,347,352,353,356,366,367,371,372,377,381,382,385,391,392,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,453,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,541,542,543,546,547,549,550,553,554,556,557,559,565,566,567,571,574,575,577,579,580,583,585,590,593,594,595,596,598,600,601,604,605,607,608,609,613,614,615,616,620,621,624,627,633,634,635,638,641,642,645,646,647,652,656,657,660,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0399_00005 10,11,12,15,16,17,19,20,179,181,182,186,188,189,193,195,196,256,257,258,259,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,360,366,371,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,393,394,397,398,404,407,417,419,421,431,433,436,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,505,507,520,521,522,524,525,529,531,536,539,541,546,549,550,553,554,556,557,561,565,570,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,594,596,597,598,601,602,604,608,609,612,614,618,619,620,622,624,625,629,634,635,637,638,639,641,642,643,644,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,681,684,685,692,696,703,709,710 +0399_00006 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0399_00007 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0399_00008 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0399_00009 10,11,12,15,16,19,20,21,144,146,147,151,154,256,257,284,285,286,287,301,302,333,342,345,346,347,352,353,356,366,367,371,372,377,381,382,385,391,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,453,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,541,542,543,546,547,549,550,553,554,556,557,559,565,566,567,571,574,575,577,579,580,583,585,590,593,595,596,598,600,601,604,605,607,608,609,613,615,616,620,621,624,627,633,634,635,638,641,642,645,646,647,652,656,660,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0399_00010 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0399_00011 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0399_00012 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0399_00013 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0399_00014 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0399_00015 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0399_00016 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,309,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,409,413,415,417,419,422,423,435,438,442,443,447,450,451,458,459,465,466,468,471,481,482,487,490,491,503,508,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,645,661,665,666,669,678,679,680,684,726,789 +0399_00017 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0399_00018 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0399_00019 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0399_00020 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0399_00021 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0399_00022 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0399_00023 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0399_00024 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00025 10,11,12,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00026 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0399_00027 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00028 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0399_00029 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0399_00030 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,529,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,644,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00031 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0399_00032 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0399_00033 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0399_00034 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00035 10,11,12,13,19,20,21,144,147,150,151,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0399_00036 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,309,333,334,338,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0399_00037 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0399_00038 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,352,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,561,573,597,637,644,655 +0399_00039 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0399_00040 10,11,12,13,19,20,21,144,150,151,157,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0399_00041 10,11,12,19,20,21,34,179,180,186,187,256,258,284,285,287,294,309,333,334,342,345,353,354,356,357,367,371,372,375,382,383,384,385,406,407,409,415,417,421,431,433,435,442,444,447,458,459,460,466,471,477,482,491,494,499,517,521,525,532,533,535,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,721,737,741,757,763,778,784,800,804,820,826 +0399_00042 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0399_00043 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0399_00044 10,11,12,13,19,20,21,144,147,148,150,151,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0399_00045 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0399_00046 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0399_00047 10,11,12,15,16,19,20,179,181,182,186,188,189,256,257,258,259,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,397,398,404,407,417,419,421,431,432,433,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,561,565,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,596,597,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,637,638,639,641,642,643,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,705,708,709,710,711 +0399_00048 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0399_00049 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,615,616,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0399_00050 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0399_00051 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00052 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0399_00053 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0399_00054 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0399_00055 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0399_00056 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0399_00057 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00058 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0399_00059 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0399_00060 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00061 10,11,15,16,19,20,21,31,34,35,144,146,147,256,257,284,286,287,294,301,315,366,367,369,375,391,397,406,408,412,413,419,421,422,423,452,454,468,476,490,497,509,519,522,541,647 +0399_00062 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0399_00063 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0399_00064 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0399_00065 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0399_00066 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0399_00067 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0399_00068 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0399_00069 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00070 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0399_00071 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0399_00072 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0399_00073 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0399_00074 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0399_00075 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0399_00076 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0399_00077 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0399_00078 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0399_00079 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0399_00080 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,409,417,431,435,442,447,459,460,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0399_00081 10,11,12,15,19,34,214,216,217,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0399_00082 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0399_00083 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0399_00084 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,409,417,421,431,433,435,442,444,447,459,460,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0399_00085 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0399_00086 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0399_00087 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0399_00088 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0399_00089 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0399_00090 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0399_00091 10,11,12,13,19,20,21,144,145,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,565,580,583,600,606,615,638,641,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00092 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,580,583,600,606,615,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00093 10,11,12,13,19,20,21,144,145,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,565,574,580,583,595,600,606,615,638,641,661,665,667,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0399_00094 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0399_00095 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0399_00096 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0399_00097 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0399_00098 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0399_00099 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0399_00100 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0399_00101 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0399/0399_gradient.tsv b/processed_data/0399/0399_gradient.tsv new file mode 100644 index 000000000..4b3b6f19d --- /dev/null +++ b/processed_data/0399/0399_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 90 10 +14 0.3 10 90 +16 0.3 10 90 diff --git a/processed_data/0399/0399_info.tsv b/processed_data/0399/0399_info.tsv new file mode 100644 index 000000000..ef5f8012c --- /dev/null +++ b/processed_data/0399/0399_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0399 10.1016/j.chroma.2012.12.030 Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández ROASMI_52 diff --git a/processed_data/0399/0399_metadata.tsv b/processed_data/0399/0399_metadata.tsv new file mode 100644 index 000000000..eff246732 --- /dev/null +++ b/processed_data/0399/0399_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0399 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 60 0.3 0.735 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90 10 0 0 10 90 0 0 diff --git a/processed_data/0399/0399_report_canonical.pdf b/processed_data/0399/0399_report_canonical.pdf new file mode 100644 index 000000000..615eb23c6 Binary files /dev/null and b/processed_data/0399/0399_report_canonical.pdf differ diff --git a/processed_data/0399/0399_report_isomeric.pdf b/processed_data/0399/0399_report_isomeric.pdf new file mode 100644 index 000000000..d45ab45ab Binary files /dev/null and b/processed_data/0399/0399_report_isomeric.pdf differ diff --git a/processed_data/0399/0399_rtdata_canonical_success.tsv b/processed_data/0399/0399_rtdata_canonical_success.tsv new file mode 100644 index 000000000..aae876194 --- /dev/null +++ b/processed_data/0399/0399_rtdata_canonical_success.tsv @@ -0,0 +1,102 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0399_00001 C8H9NO2 2.05 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0399_00002 C10H10N4O2S 2.09 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00003 C10H13NO 2.26 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0399_00004 C13H16N4O6 2.64 C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-] InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2 YVQVOQKFMFRVGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Nitrofurans (CHEMONTID:0000194) NA (NA) NA (NA) +0399_00005 C14H17N5O3 2.7 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) JOHZPMXAZQZXHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) N-arylpiperazines (CHEMONTID:0003359) NA (NA) +0399_00006 C9H13N 2.8 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0399_00007 C15H20O6 2.83 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3 LINOMUASTDIRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00008 C7H13N5O 2.83 CCNC1=NC(=NC(=O)N1)NCC InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13) YQIXRXMOJFQVBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0399_00009 C8H7N3O5 2.96 C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2 PLHJDBGFXBMTGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Nitrofurans (CHEMONTID:0000194) NA (NA) NA (NA) +0399_00010 C10H13NO2 2.97 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00011 C11H15NO2 3.02 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00012 C10H15N 3.05 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0399_00013 C5H10N2O2S 3.09 CC(=NOC(=O)NC)SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) UHXUZOCRWCRNSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0399_00014 C18H34N2O6S 3.13 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00015 C14H18N4O3 3.15 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0399_00016 C9H10N4O2S2 3.19 CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)N)O InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13,14,15) CDXHOBQTVYVWHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0399_00017 C17H20N4S 3.44 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0399_00018 C12H17NO2 3.48 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00019 C11H13N3O 3.48 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0399_00020 C12H14N4O2S 3.59 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00021 C9H9N3O2 3.89 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0399_00022 C10H11N3O3S 3.91 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00023 C8H15N5O 3.93 CCNC1=NC(=O)NC(=N1)NC(C)C InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) NFMIMWNQWAWNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0399_00024 C16H19NO4 4.08 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00025 C15H17NO4 4.3 C1CC2C(C(CC1[NH2+]2)OC(=O)C3=CC=CC=C3)C(=O)[O-] InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18) CMYJDRSCSOXYHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00026 C5H12NO3PS2 4.63 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0399_00027 C17H21NO4 4.66 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00028 C10H7N3S 4.8 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0399_00029 C7H6O3 4.8 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0399_00030 C16H19NO4 5.14 COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3 InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3 AYDBLCSLKNTEJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00031 C9H17N5O 5.25 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0399_00032 C13H11NO5 5.67 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0399_00033 C18H23NO4 5.78 CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3 InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3 NMPOSNRHZIWLLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00034 C22H26O8Si 5.92 CC(=O)O[Si](CCCC(COC(=O)C1=CC=C(C=C1)O)O)(C2=CC=CC=C2)OC(=O)C InChI=1S/C22H26O8Si/c1-16(23)29-31(30-17(2)24,21-8-4-3-5-9-21)14-6-7-20(26)15-28-22(27)18-10-12-19(25)13-11-18/h3-5,8-13,20,25-26H,6-7,14-15H2,1-2H3 BMBOSPBIHIFEGB-UHFFFAOYSA-N +0399_00035 C17H14O7 5.93 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3 WPCVRWVBBXIRMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00036 C17H12O7 6.04 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3 MJBWDEQAUQTVKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00037 C38H72N2O12 6.2 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00038 C8H15N5O 6.25 CC(C)(C)NC1=NC(=NC(=N1)N)OC InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13) HSYISQLUXXBNFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0399_00039 C17H27NO2 6.34 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0399_00040 C17H12O7 6.35 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00041 C14H12O6S 6.4 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) CXVGEDCSTKKODG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00042 C13H10O5 6.4 C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H WXNRYSGJLQFHBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00043 C10H12N2O3S 6.66 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0399_00044 C17H14O6 6.76 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3 WWSYXEZEXMQWHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00045 C18H24O3 6.96 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00046 C16H18N2O4S 7.08 CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22) JGSARLDLIJGVTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0399_00047 C12H12N2O3 7.1 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0399_00048 C17H12O6 7.15 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3 OQIQSTLJSLGHID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00049 C20H28N2O5 7.47 CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25) GBXSMTUPTTWBMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0399_00050 C12H15NO3 7.48 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0399_00051 C9H10O3 7.54 CCOC(=O)C1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 NUVBSKCKDOMJSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00052 C17H19N3O3S 7.55 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0399_00053 C11H18N4O2 7.79 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0399_00054 C12H11NO2 7.81 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0399_00055 C15H12N2O 8.1 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0399_00056 C19H19N3O5S 8.19 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26) UWYHMGVUTGAWSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00057 C37H67NO13 8.5 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00058 C12H18N2O 8.83 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0399_00059 C46H77NO17 8.84 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00060 C10H12O3 8.97 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00061 C6H11N2O4PS3 9.06 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0399_00062 C10H19N5O 9.07 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0399_00063 C22H32O8 9.07 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3 PNKLMTPXERFKEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00064 C15H21NO4 9.09 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00065 C23H36O7 9.27 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) TUZYXOIXSAXUGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0399_00066 C34H59NO15 9.48 CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48) UVBUBMSSQKOIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0399_00067 C16H14O3 9.5 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00068 C14H14O3 9.74 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0399_00069 C38H69NO13 9.78 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00070 C11H15NO2S 9.95 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0399_00071 C41H76N2O15 9.99 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 RXZBMPWDPOLZGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00072 C18H22O2 9.99 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 DNXHEGUUPJUMQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00073 C24H34O9 10.01 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3 BXFOFFBJRFZBQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00074 C22H17N3O5 10.02 COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3 WFDXOXNFNRHQEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0399_00075 C20H24O2 10.08 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3 BFPYWIDHMRZLRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00076 C11H14O3 10.27 CCCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 QFOHBWFCKVYLES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00077 C18H20O2 10.29 CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3 RGLYKWWBQGJZGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0399_00078 C25H28N6O 10.3 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0399_00079 C18H22O5 10.34 CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3 MBMQEIFVQACCCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0399_00080 C18H24O5S 10.4 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22) QZIGLSSUDXBTLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0399_00081 C9H17NOS 10.42 CCSC(=O)N1CCCCCC1 InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 DEDOPGXGGQYYMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0399_00082 C24H29N5O3 10.56 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00083 C10H19N5S 10.62 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0399_00084 C18H22O5S 10.62 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22) JKKFKPJIXZFSSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0399_00085 C14H17N2O4PS 10.65 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0399_00086 C10H19O6PS2 11.01 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0399_00087 C34H59NO14 11.01 CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47) UXDPXZQHTDAXOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0399_00088 C14H12O3 11.1 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 DXGLGDHPHMLXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00089 C14H15N3 11.4 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0399_00090 C10H12N3O3PS2 11.46 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0399_00091 C24H32O4 11.5 CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3 RQZAXGRLVPAYTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00092 C24H34O4 11.68 CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 PSGAAPLEWMOORI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00093 C25H32O4 11.77 CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3 UDKABVSQKJNZBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00094 C13H18O2 11.8 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0399_00095 C12H21N2O3PS 11.91 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0399_00096 C11H20N3O3PS 12.03 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0399_00097 C15H22O3 12.75 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0399_00098 C16H23N3OS 13.08 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0399_00099 C20H19NO3 13.37 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0399_00100 C21H28O4 13.91 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0399_00101 C25H38O5 14.2 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0399/0399_rtdata_isomeric_success.tsv b/processed_data/0399/0399_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..34bceff1f --- /dev/null +++ b/processed_data/0399/0399_rtdata_isomeric_success.tsv @@ -0,0 +1,102 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0399_00001 C8H9NO2 2.05 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0399_00002 C10H10N4O2S 2.09 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00003 C10H13NO 2.26 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0399_00004 C13H16N4O6 2.64 C1COCCN1CC2CN(C(=O)O2)/N=C\C3=CC=C(O3)[N+](=O)[O-] InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7- YVQVOQKFMFRVGR-AUWJEWJLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Nitrofurans (CHEMONTID:0000194) NA (NA) NA (NA) +0399_00005 C14H17N5O3 2.7 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) JOHZPMXAZQZXHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) N-arylpiperazines (CHEMONTID:0003359) NA (NA) +0399_00006 C9H13N 2.8 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0399_00007 C15H20O6 2.83 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 LINOMUASTDIRTM-QGRHZQQGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00008 C7H13N5O 2.83 CCNC1=NC(=NC(=O)N1)NCC InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13) YQIXRXMOJFQVBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0399_00009 C8H7N3O5 2.96 C1COC(=O)N1/N=C\C2=CC=C(O2)[N+](=O)[O-] InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5- PLHJDBGFXBMTGZ-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Nitrofurans (CHEMONTID:0000194) NA (NA) NA (NA) +0399_00010 C10H13NO2 2.97 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00011 C11H15NO2 3.02 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00012 C10H15N 3.05 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0399_00013 C5H10N2O2S 3.09 C/C(=N/OC(=O)NC)/SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4- UHXUZOCRWCRNSJ-DAXSKMNVSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfenyl compounds (CHEMONTID:0003260) NA (NA) NA (NA) NA (NA) +0399_00014 C18H34N2O6S 3.13 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00015 C14H18N4O3 3.15 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0399_00016 C9H10N4O2S2 3.19 CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)N)O InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13,14,15) CDXHOBQTVYVWHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0399_00017 C17H20N4S 3.44 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0399_00018 C12H17NO2 3.48 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0399_00019 C11H13N3O 3.48 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0399_00020 C12H14N4O2S 3.59 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00021 C9H9N3O2 3.89 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0399_00022 C10H11N3O3S 3.91 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0399_00023 C8H15N5O 3.93 CCNC1=NC(=O)NC(=N1)NC(C)C InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) NFMIMWNQWAWNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0399_00024 C16H19NO4 4.08 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00025 C15H17NO4 4.3 C1C[C@@H]2[C@H]([C@H](C[C@H]1[NH2+]2)OC(=O)C3=CC=CC=C3)C(=O)[O-] InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1 CMYJDRSCSOXYHG-QNWHQSFQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00026 C5H12NO3PS2 4.63 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0399_00027 C17H21NO4 4.66 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00028 C10H7N3S 4.8 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0399_00029 C7H6O3 4.8 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0399_00030 C16H19NO4 5.14 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3 InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1 AYDBLCSLKNTEJL-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00031 C9H17N5O 5.25 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0399_00032 C13H11NO5 5.67 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0399_00033 C18H23NO4 5.78 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 NMPOSNRHZIWLLL-XUWVNRHRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0399_00034 C22H26O8Si 5.92 COC(=O)C1=CC=C(C=C1)O InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 LXCFILQKKLGQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00035 C17H14O7 5.93 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WPCVRWVBBXIRMA-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00036 C17H12O7 6.04 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1 MJBWDEQAUQTVKK-IAGOWNOFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00037 C38H72N2O12 6.2 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00038 C8H15N5O 6.25 CC(C)(C)NC1=NC(=NC(=N1)N)OC InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13) HSYISQLUXXBNFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0399_00039 C17H27NO2 6.34 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0399_00040 C17H12O7 6.35 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00041 C14H12O6S 6.4 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) CXVGEDCSTKKODG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00042 C13H10O5 6.4 C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H WXNRYSGJLQFHBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00043 C10H12N2O3S 6.66 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0399_00044 C17H14O6 6.76 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WWSYXEZEXMQWHT-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00045 C18H24O3 6.96 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00046 C16H18N2O4S 7.08 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 JGSARLDLIJGVTE-MBNYWOFBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0399_00047 C12H12N2O3 7.1 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0399_00048 C17H12O6 7.15 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 OQIQSTLJSLGHID-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0399_00049 C20H28N2O5 7.47 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 GBXSMTUPTTWBMN-XIRDDKMYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0399_00050 C12H15NO3 7.48 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0399_00051 C9H10O3 7.54 CCOC(=O)C1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 NUVBSKCKDOMJSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00052 C17H19N3O3S 7.55 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0399_00053 C11H18N4O2 7.79 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0399_00054 C12H11NO2 7.81 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0399_00055 C15H12N2O 8.1 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0399_00056 C19H19N3O5S 8.19 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 UWYHMGVUTGAWSP-JKIFEVAISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0399_00057 C37H67NO13 8.5 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00058 C12H18N2O 8.83 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0399_00059 C46H77NO17 8.84 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00060 C10H12O3 8.97 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00061 C6H11N2O4PS3 9.06 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0399_00062 C10H19N5O 9.07 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0399_00063 C22H32O8 9.07 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1 PNKLMTPXERFKEN-MLXHEQMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00064 C15H21NO4 9.09 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00065 C23H36O7 9.27 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 TUZYXOIXSAXUGO-PZAWKZKUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0399_00066 C34H59NO15 9.48 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 UVBUBMSSQKOIBE-DSLOAKGESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0399_00067 C16H14O3 9.5 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00068 C14H14O3 9.74 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0399_00069 C38H69NO13 9.78 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00070 C11H15NO2S 9.95 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0399_00071 C41H76N2O15 9.99 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HEWSMUCTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0399_00072 C18H22O2 9.99 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 DNXHEGUUPJUMQT-CBZIJGRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00073 C24H34O9 10.01 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 BXFOFFBJRFZBQZ-QYWOHJEZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0399_00074 C22H17N3O5 10.02 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ WFDXOXNFNRHQEC-GHRIWEEISA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0399_00075 C20H24O2 10.08 CC12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19?,20-/m1/s1 BFPYWIDHMRZLRN-LXKKFAQKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0399_00076 C11H14O3 10.27 CCCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 QFOHBWFCKVYLES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0399_00077 C18H20O2 10.29 CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ RGLYKWWBQGJZGM-ISLYRVAYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0399_00078 C25H28N6O 10.3 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0399_00079 C18H22O5 10.34 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 MBMQEIFVQACCCH-QBODLPLBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0399_00080 C18H24O5S 10.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 QZIGLSSUDXBTLJ-ZBRFXRBCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0399_00081 C9H17NOS 10.42 CCSC(=O)N1CCCCCC1 InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 DEDOPGXGGQYYMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0399_00082 C24H29N5O3 10.56 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0399_00083 C10H19N5S 10.62 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0399_00084 C18H22O5S 10.62 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1 JKKFKPJIXZFSSB-CBZIJGRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0399_00085 C14H17N2O4PS 10.65 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0399_00086 C10H19O6PS2 11.01 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0399_00087 C34H59NO14 11.01 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1 UXDPXZQHTDAXOZ-STOIETHLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0399_00088 C14H12O3 11.1 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 DXGLGDHPHMLXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0399_00089 C14H15N3 11.4 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0399_00090 C10H12N3O3PS2 11.46 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0399_00091 C24H32O4 11.5 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1 RQZAXGRLVPAYTJ-GQFGMJRRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00092 C24H34O4 11.68 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1 PSGAAPLEWMOORI-PEINSRQWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00093 C25H32O4 11.77 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1 UDKABVSQKJNZBH-DWNQPYOZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0399_00094 C13H18O2 11.8 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0399_00095 C12H21N2O3PS 11.91 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0399_00096 C11H20N3O3PS 12.03 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0399_00097 C15H22O3 12.75 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0399_00098 C16H23N3OS 13.08 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0399_00099 C20H19NO3 13.37 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0399_00100 C21H28O4 13.91 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1 YOVRGSHRZRJTLZ-HZPDHXFCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0399_00101 C25H38O5 14.2 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 RYMZZMVNJRMUDD-HGQWONQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0399/0399_validation_qspr_outliers.tsv b/processed_data/0399/0399_validation_qspr_outliers.tsv new file mode 100644 index 000000000..30d9e3e5f --- /dev/null +++ b/processed_data/0399/0399_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0399_00088 4.007441857372872 diff --git a/processed_data/0400/0400_descriptors_canonical_success.tsv b/processed_data/0400/0400_descriptors_canonical_success.tsv new file mode 100644 index 000000000..63e1f28ae --- /dev/null +++ b/processed_data/0400/0400_descriptors_canonical_success.tsv @@ -0,0 +1,481 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0400_00001 11.850000000000001 14.00408418640803 -0.2989159215563951 0.11830261714706951 6.2596767236410455 9.725070309614733 0.5 0.27399999999999997 162.23193593551304 0 1 2.34 6 7 13 1 26 0 0 0.9038999999999994 0.8170352099999989 52.42380000000001 0 2 1 2 1 0 0 1 1 0 0 0 0.09622757165757359 60 191 14 24.360804789738964 2.0300670658115805 6.240875609989701 0 6.240875609989701 4.700439718141093 15.6 1 0.5 0 1.9175157240504672 0.8164965809277259 0 7.575476425952617 6.88320234726196 0 1 0 0 0 0 0 0 0 0 0 0.25 0 0 0 0 0 0 0 1 0 3 0 0 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8.591715976331361 3.8062283737024223 1.859504132231405 0.5 597.02 0.9166666666666666 124 8.38890505706126 5.877010097711745 4.970132250851811 4.1831539799089885 3.436759657355959 2.2515225064396693 1.1566538903476509 0.7826569984497609 7.4024988805076894 4.478978391673248 3.4249925387477824 2.5896294359397096 1.904487451133043 0.9945586166557819 0.46021749973101117 0.2595022921911595 1.4401774752272036 2.3436252855755626 2.5331301200104535 0.8849450096766627 1.270923395104954 1.0908438226729025 0.5384516905501369 0 0.1642664266089148 0 0.3700863236175207 0 0.09497875340929951 0 0 0 0.11785113019775793 0.2879545845577009 0.2231919917077938 0 0 0.09128709291752768 0.16177583912628918 0.112692556891968 0 0 2 2 1 1 3 0 0 709.7940645400392 807.9606500476076 1064.4753771623539 832.3883178815921 600.6974424931643 12.71996060255296 13.83090966590223 17.83090966590223 14.664727732721783 11.692344167637373 0.17160185129960698 -0.10524550751438458 0.018927319538828077 -0.033083839408244185 0.08039783762490857 0 2 18.604897999999995 29.135102000000003 +0400_00002 11.993426859997017 14.009812396457065 -0.36377748676509886 0.028492336180616192 4.735540077971071 7.450655696460586 1 -0.6820000000000002 202.34063139549454 1 11 2.12 0 14 13 4 40 0 0 -1.5038000000000005 2.2614144400000016 62.5574 0 0 0 0 0 0 0 0 0 0 0 0 0.37633073147832924 50 455 11 26.828469012655187 1.9163192151896562 10.752713339054845 0 10.752713339054845 4.700439718141093 76.1 0.8571428571428571 0.46153846153846156 0 0 0 0 12.295386033087754 0 0 0 0 0 0 0 0 0.07692307692307693 0.6666666666666667 0 0.19999999999999996 0 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 13 13.090909090909092 1 1339.04 0 254 10.485281374238571 6.914213562373096 4.535533905932738 2.957106781186548 1.9142135623730954 1.2285533905932737 0.7803300858899107 0.48927669529663687 9.22576835024473 5.730710143300821 3.491563831562721 2.072461852836958 1.2041241452319316 0.737167653187317 0.44045042026428427 0.25430713129702165 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 4 0 0 636.3780069252568 611.1863491739991 570.1239485687014 521.8515081620001 470.73048309737595 15.439921205105923 13.997091599082674 12.997091599082674 11.997091599082674 11.05232446891385 0.19004106894119835 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1424.492141010612 21.323407106622838 20.99627593139769 29.102836944071203 30.65673581706051 26.65673581706051 0.3206001279202104 -0.13134815422787832 -0.026305512987099558 -0.0032466596520155148 0.03881455757261019 1 3 17.220898 39.901101999999995 diff --git a/processed_data/0400/0400_descriptors_isomeric_success.tsv b/processed_data/0400/0400_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..605f20089 --- /dev/null +++ b/processed_data/0400/0400_descriptors_isomeric_success.tsv @@ -0,0 +1,481 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0400_00001 11.850000000000001 14.00408418640803 -0.2989159215563951 0.11830261714706951 6.2596767236410455 9.725070309614733 0.5 0.27399999999999997 162.23193593551304 0 1 2.34 6 7 13 1 26 0 0 0.9038999999999994 0.8170352099999989 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20,57,94,107,118,141,153,199,207,244,266,292,320,347,481,508,512,588,626,635,692,727,757,763,894,954 +0400_00061 20,94,153,156,259,261,268,313,341,480,481,508,626,651,659,727,756,862 +0400_00062 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 +0400_00063 41,45,57,93,95,134,153,182,201,202,208,220,227,234,257,263,266,285,347,393,400,405,430,476,481,482,508,512,535,539,569,580,588,605,613,621,626,653,673,675,678,687,692,719,758,763,773,786,821,826,843,887,922,948,954,968,981,1016,1023 +0400_00064 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0400_00065 54,57,84,138,142,153,207,267,292,320,326,347,390,422,429,430,474,508,540,576,600,626,700,718,734,763,779,833,845,877,911,919,921,932,948,954,955,994 +0400_00066 20,54,94,107,118,141,153,207,231,250,261,284,480,481,508,530,626,635,727,730,752,984 +0400_00067 20,77,94,153,254,326,480,508,592,596,603,626,642,666,670,690,727,768,777,844,987 +0400_00068 20,51,94,107,118,141,153,174,207,231,250,270,341,360,441,481,504,508,516,552,558,626,635,636,643,679,727,778,789,986 +0400_00069 138,238,833,902,919,948 +0400_00070 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0400_00071 2,14,20,94,107,118,141,153,207,451,468,475,481,508,626,635,727,747,842,954 +0400_00072 20,21,77,94,118,130,153,343,353,446,480,481,508,530,626,649,727,752,982 +0400_00073 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 +0400_00074 15,63,109,134,157,201,245,439,506,508,524,526,662,675,686,727,741,849,940,948 +0400_00075 153,207,326,390,538,576,626,697,704,726,874,992,997 +0400_00076 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0400_00077 20,94,107,113,131,134,153,207,426,480,508,511,516,602,626,673,727,948,994,998 +0400_00078 20,92,94,107,118,141,146,153,207,236,481,508,545,609,626,635,723,727,758,964,1006 +0400_00079 20,193,259,341,423,481,661,756,948 +0400_00080 24,57,73,89,132,153,160,170,311,326,327,330,339,346,347,369,435,461,508,541,562,588,599,626,660,692,719,787,791,936,954,974,988 +0400_00081 20,94,107,207,266,341,403,481,508,516,626,717,727,739,809,926,947,986 +0400_00082 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0400_00083 22,36,54,57,89,148,153,266,347,369,461,495,508,555,588,626,647,692,693,719,743,763,785,791,796,936,954,959,974 +0400_00084 15,20,26,94,131,222,481,508,570,608,626,727,985 +0400_00085 69,153,207,326,390,495,538,576,626,697,704,874,892 +0400_00086 20,76,94,153,326,480,508,530,586,626,666,727,752 +0400_00087 18,22,36,54,57,89,148,153,266,347,366,369,399,461,495,508,555,562,588,626,647,692,693,719,743,763,785,786,791,796,936,954,959,974 +0400_00088 69,153,207,326,390,495,538,576,626,697,704,874,892 +0400_00089 47,134,195,203,245,270,405,422,481,506,508,552,578,587,604,662,668,686,789,887,899,914,968 +0400_00090 24,57,73,89,132,153,160,170,311,326,327,330,339,346,347,369,435,461,508,541,562,588,599,626,660,692,719,787,791,936,954,974,988 +0400_00091 153,207,326,390,538,576,626,697,704,726,874,992,997 +0400_00092 153,207,326,390,509,576,618,626,704,874 +0400_00093 69,153,207,326,390,495,538,576,626,697,704,874,892 +0400_00094 153,207,326,390,509,576,618,626,704,874 +0400_00095 89,93,134,150,153,242,245,288,311,326,330,360,369,461,508,534,604,626,657,658,663,670,719,791,892,906,936,953 +0400_00096 20,94,107,118,141,153,175,186,207,387,481,508,626,635,727,967,1006 +0400_00097 20,94,134,153,207,213,277,390,480,508,511,626,661,727,802,948 +0400_00098 18,26,73,89,100,139,153,170,240,246,247,260,263,266,303,311,326,327,330,346,347,369,414,435,461,467,474,520,542,562,576,608,626,651,660,719,732,787,789,791,804,829,855,883,936,974 +0400_00099 22,36,73,89,98,153,168,170,216,227,240,260,311,326,327,330,346,347,369,435,439,458,461,467,495,562,576,608,626,647,651,660,719,727,787,791,804,883,936,959,974,1014 +0400_00100 20,94,107,131,134,153,207,257,259,330,341,382,480,481,505,508,511,626,727,751,756,785,829,999,1008 +0400_00101 54,89,114,117,134,150,153,207,245,250,258,326,390,461,506,508,534,555,574,576,604,626,670,719,782,878,886,906,936 +0400_00102 18,22,36,73,89,153,170,311,326,327,330,336,346,347,366,369,392,399,435,461,486,495,505,547,555,562,579,613,626,647,660,719,734,777,785,786,787,791,936,959,974,994 +0400_00103 20,94,107,118,141,153,207,254,481,508,527,626,635,727,948,994,1006 +0400_00104 77,127,134,153,154,207,224,226,259,286,305,336,350,353,369,381,390,476,481,515,550,626,640,647,787,836,849,968,991 +0400_00105 20,83,94,107,134,141,180,207,252,270,350,481,508,550,611,620,626,640,647,676,727,733,947,968,975,984,991 +0400_00106 20,58,94,107,153,203,207,259,326,390,507,508,538,542,593,626,665,727,844,865,874,898,936 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20,54,57,65,70,84,89,134,138,139,153,163,165,210,245,256,267,269,300,302,347,364,369,374,402,405,412,430,445,452,460,461,465,481,492,508,523,524,540,555,560,596,600,615,626,638,657,680,692,700,716,718,719,763,765,785,791,833,846,877,887,911,919,928,932,936,948,952,954,965,968,974,976,994 +0400_00115 20,29,88,94,117,134,153,195,245,334,387,395,405,479,480,508,522,626,662,727,787,938,968 +0400_00116 134,201,481,550,617,620,626,640,676,716,733,755,862,887,947,968 +0400_00117 20,94,107,118,141,153,207,254,481,508,527,626,635,727,948,994,1006 +0400_00118 26,73,89,139,153,170,291,311,313,326,327,330,336,346,347,356,369,392,399,435,448,461,486,499,505,530,547,555,562,565,570,579,610,613,626,660,679,719,720,732,734,770,784,785,787,791,796,816,829,861,862,883,936,937,974,994 +0400_00119 20,77,94,107,153,207,481,508,541,590,626,677,727,802,849,929,948 +0400_00120 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772 +0400_00121 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0400_00122 20,94,107,118,130,141,153,207,231,250,396,441,480,481,508,530,626,635,679,727,752,778,787,884,976 +0400_00123 4,6,15,20,26,89,94,140,150,153,178,185,207,216,223,250,263,326,390,395,461,474,486,492,508,516,570,576,587,626,632,704,720,727,757,762,770,819,829,836,837,855,874,896,936,946,948,960,1016,1023 +0400_00124 22,36,73,89,98,153,168,170,216,227,240,260,311,326,327,330,346,347,369,385,435,439,458,461,467,495,562,576,608,626,647,651,660,698,719,727,787,791,804,858,883,936,959,968,974,1014 +0400_00125 20,253,341,481,530,820 +0400_00126 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772 +0400_00127 15,32,65,89,206,241,351,410,461,495,508,525,562,626,638,662,700,711,719,782,910,921,936,959,974 +0400_00128 32,102,134,153,220,221,234,264,278,326,328,349,357,387,393,405,420,499,503,508,580,605,614,626,640,708,719,734,850,906,918,948,968 +0400_00129 20,94,107,118,130,141,153,207,231,250,396,441,480,481,508,530,626,635,679,727,752,778,787,884,976 +0400_00130 20,36,89,153,178,192,257,263,311,326,327,330,369,376,451,461,474,492,508,516,534,545,626,647,671,687,719,727,762,791,936,948,960,974 +0400_00131 20,24,94,107,118,141,153,207,292,347,429,481,498,508,544,626,635,727,762,804,886,894,948,989 +0400_00132 98,122,134,153,159,207,211,227,270,297,350,390,516,522,550,620,626,640,647,676,733,782,787,802,940,947,948,968,998 +0400_00133 20,39,47,55,89,134,151,245,264,276,341,481,492,506,508,516,600,662,677,727,761,767,782,836,874,886,981,986 +0400_00134 20,93,94,107,118,141,153,174,185,207,225,231,250,270,341,360,441,480,481,504,508,516,552,626,635,643,677,679,722,727,778,986 +0400_00135 20,36,89,153,178,192,257,263,311,326,327,330,369,376,451,461,474,492,508,516,534,545,626,647,671,687,719,727,762,791,936,948,960,974 +0400_00136 26,73,89,139,153,170,291,311,313,326,327,330,346,347,369,435,448,461,499,530,562,565,570,610,626,660,679,719,720,732,770,784,787,791,796,829,861,862,883,936,937,974,978 +0400_00137 63,67,94,134,143,199,317,319,360,363,405,422,458,479,515,517,524,550,576,600,614,662,666,675,686,693,787,948,968,982,984,1017 +0400_00138 5,15,89,153,158,160,311,326,330,340,369,412,441,461,462,463,626,711,719,782,791,836,887,936,963,993 +0400_00139 20,138,153,171,207,272,280,347,387,421,423,434,497,508,511,526,560,575,627,700,727,762,827,833,886,888,916,919,948,1019 +0400_00140 15,20,26,88,89,94,171,213,279,318,490,508,570,599,600,626,675,719,727,819,822,836,855,936 +0400_00141 20,66,69,94,107,115,118,134,141,153,207,242,271,345,348,441,480,481,493,508,626,635,727,803,909,915 +0400_00142 15,36,73,89,134,177,237,245,252,481,508,544,570,687,772,773,847 +0400_00143 20,94,134,169,239,245,385,405,456,508,550,585,626,727,739,798,897,914,931,947,968 +0400_00144 36,134,166,260,278,347,349,505,508,549,550,666,712,778,812,825,850,897,948,964,968,980,1013 +0400_00145 20,77,94,107,153,167,180,207,225,231,424,436,458,481,504,508,512,516,602,613,626,637,673,727,739,762,778,797,897,913,948,960 +0400_00146 77,121,134,153,207,270,286,350,364,390,481,522,550,620,626,640,647,676,733,782,787,849,947,968,991 +0400_00147 20,44,54,57,71,89,123,125,134,138,153,235,341,347,357,361,369,392,396,432,461,480,481,487,508,543,550,555,581,599,612,626,627,689,692,699,719,725,727,763,769,785,791,810,812,843,850,854,871,877,881,897,898,899,918,936,948,954,963,968,974 +0400_00148 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0400_00149 20,94,107,118,141,153,186,207,231,250,387,396,481,508,535,607,626,635,656,727 +0400_00150 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0400_00151 20,77,118,153,270,272,360,364,424,436,480,481,508,516,630,632,633,643,727,762,778,913,948,960 +0400_00152 122,127,134,153,154,207,211,224,226,227,297,305,350,353,369,381,390,426,476,515,516,550,626,640,647,787,802,814,836,940,948,968,998 +0400_00153 35,83,134,173,220,245,248,317,374,385,405,421,422,481,506,508,557,622,662,668,686,738,887,948,958,968 +0400_00154 70,89,134,139,146,153,245,252,269,311,326,330,338,374,379,388,405,443,452,459,460,461,465,467,480,481,492,508,523,524,525,539,560,564,596,609,615,626,657,690,716,727,765,791,805,816,833,887,919,928,952,968,974,1009,1012 +0400_00155 24,29,46,57,65,70,89,134,139,153,163,167,227,245,311,326,330,347,374,405,452,460,461,465,467,481,508,523,524,560,588,596,599,615,622,623,626,657,692,705,708,716,719,765,791,833,887,892,919,928,936,952,954,968,974,997 +0400_00156 20,94,128,153,163,278,480,508,516,528,626,727,767,804,811,850,927,970 +0400_00157 20,94,107,153,167,207,341,353,390,440,481,508,511,516,525,602,626,673,727,739,742,753,762,797,948,960 +0400_00158 10,15,20,31,39,89,94,134,201,245,264,275,385,453,474,506,508,540,553,590,617,626,662,674,677,678,727,755,981 +0400_00159 20,31,86,94,134,137,223,245,351,456,489,506,508,513,626,662,672,727,731,766,866,928,930,968,971,981,997 +0400_00160 25,134,146,172,192,236,280,508,532,550,609,620,626,640,676,733,947,968,971,972 +0400_00161 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 +0400_00162 65,70,89,134,139,153,163,199,207,245,311,326,327,330,369,374,405,452,460,461,465,481,508,523,524,560,596,615,626,638,657,680,716,719,765,791,833,887,919,928,936,952,968,974,976 +0400_00163 15,42,54,57,89,122,134,139,153,161,228,245,266,347,405,446,452,460,461,465,481,508,523,524,555,560,584,588,596,615,626,632,657,692,693,716,743,763,765,776,784,791,833,836,850,887,920,928,930,936,952,954,964,968,974,1019 +0400_00164 20,34,54,57,89,134,139,153,163,219,256,266,302,319,321,341,342,347,369,374,384,405,412,422,432,461,481,508,524,555,567,578,588,626,638,652,665,680,692,693,711,719,727,743,763,783,785,791,796,842,887,919,936,954,968,974 +0400_00165 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 +0400_00166 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0400_00167 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0400_00168 15,20,32,89,94,123,139,233,237,276,404,427,451,473,474,508,590,614,626,662,677,727,770,772 +0400_00169 20,94,134,160,177,195,252,304,366,387,395,405,445,469,479,508,510,551,611,626,662,727,787,850,968,973 +0400_00170 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 +0400_00171 2,15,134,201,226,233,245,350,424,506,508,553,559,569,628,662,723,766,981,1022 +0400_00172 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0400_00173 20,94,107,134,153,167,207,341,480,508,511,516,522,602,626,673,727,739,742,762,797,902,948,960 +0400_00174 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0400_00175 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0400_00176 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0400_00177 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0400_00178 20,52,72,91,93,94,107,118,134,141,153,182,197,207,226,262,270,281,353,369,381,476,481,508,515,550,601,626,635,640,727,753,808,968,989 +0400_00179 15,42,89,122,134,139,153,199,228,245,311,326,330,405,452,460,461,465,481,508,523,524,560,596,615,626,632,657,716,765,776,782,791,833,836,850,887,920,928,930,936,952,964,968,974,1019 +0400_00180 54,57,67,77,89,132,134,137,139,153,163,168,244,245,256,266,302,317,319,347,369,374,405,412,422,436,461,479,486,508,524,544,555,582,588,614,626,631,638,662,680,692,693,699,704,719,720,743,763,783,785,787,791,796,797,831,836,866,919,936,954,963,968,974 +0400_00181 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0400_00182 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0400_00183 15,54,57,89,122,134,139,153,155,161,167,169,236,245,266,277,347,434,446,452,461,506,508,524,555,569,582,584,588,612,626,657,662,692,693,743,763,766,784,791,805,806,836,850,920,930,936,952,954,964,968,974,1019 +0400_00184 77,134,145,153,181,226,262,270,281,353,356,369,381,476,481,515,550,601,626,640,711,740,786,913,968 +0400_00185 20,21,94,107,118,120,141,153,207,231,250,291,313,347,402,430,475,480,481,485,508,530,544,545,626,635,640,727,752,797,850,950,1019,1022 +0400_00186 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0400_00187 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0400_00188 54,57,89,96,103,132,134,135,139,153,163,164,184,223,245,256,266,302,307,319,337,347,368,369,374,405,412,422,461,506,508,524,555,582,585,588,592,626,631,638,662,680,692,693,696,698,719,727,743,763,783,785,791,796,867,919,936,943,954,968,974,981,990,1007 +0400_00189 75,96,134,265,283,315,353,372,481,487,519,550,626,640,675,699,887,968 +0400_00190 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0400_00191 20,94,134,245,298,335,454,456,479,504,506,508,554,582,611,626,662,720,727,783,837,896,937,946,949,968,981 +0400_00192 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0400_00193 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0400_00194 10,20,68,94,134,211,265,293,322,328,431,433,456,481,487,508,550,626,640,699,727,781,849,858,872,887,928,968 +0400_00195 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0400_00196 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0400_00197 15,19,54,56,57,65,89,122,134,139,153,161,172,266,318,319,347,349,361,405,422,436,445,446,452,461,481,486,508,524,525,555,558,566,580,584,588,625,626,629,678,690,692,693,728,743,755,760,763,783,784,791,836,850,887,920,930,936,954,960,964,968,974,975,1019 +0400_00198 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0400_00199 14,20,79,94,107,118,128,141,145,153,163,207,231,250,254,257,270,284,285,366,403,480,481,508,516,530,586,626,627,635,673,690,692,727,739,757,869,871,917,927,948,984,994,1015 +0400_00200 20,34,89,134,139,153,163,199,207,219,311,319,321,326,327,330,341,342,369,374,384,405,422,432,461,481,508,524,567,578,626,638,652,665,680,711,719,727,783,791,842,887,919,936,968,974 +0400_00201 1,15,30,32,43,56,65,74,89,134,184,233,260,325,353,360,369,400,409,419,428,515,518,542,617,626,640,642,662,738,777,908,948,968,1021,1022 +0400_00202 15,134,201,245,439,486,506,508,524,526,650,662,680,686,727,806,849,948 +0400_00203 20,94,107,153,167,207,231,247,261,349,383,480,508,512,516,530,536,602,613,626,673,727,739,752,762,797,948,960 +0400_00204 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0400_00205 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0400_00206 19,56,65,89,134,139,146,153,172,192,252,269,311,313,319,326,330,338,374,379,388,405,422,436,443,459,461,464,467,481,486,492,508,524,525,539,558,564,566,580,609,625,626,629,678,690,727,728,755,783,791,805,807,816,887,919,959,960,968,974,975,1009 +0400_00207 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0400_00208 20,94,128,153,215,270,294,366,439,480,501,508,516,548,626,693,727,871,927,944,948,994 +0400_00209 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0400_00210 6,14,19,20,44,56,65,69,89,94,107,118,124,134,139,141,153,158,163,172,192,207,231,250,263,306,319,321,363,369,374,405,417,422,436,447,461,464,481,486,508,524,525,540,558,566,580,625,626,629,635,638,678,680,690,719,727,728,755,783,788,789,791,887,915,919,936,949,959,960,968,974,975,1017 +0400_00211 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 +0400_00212 20,21,94,153,337,480,508,530,626,727,752 +0400_00213 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0400_00214 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0400_00215 15,20,26,88,89,117,134,147,153,163,175,190,195,201,207,237,245,253,264,340,341,347,369,371,376,387,389,395,397,405,415,456,479,481,488,508,515,516,518,524,554,584,590,647,662,672,673,715,727,739,749,772,777,787,864,866,884,934,938,942,968,981,989,1022 +0400_00216 15,54,57,89,122,134,139,153,161,173,185,220,245,266,340,347,370,379,446,452,461,506,508,524,533,538,555,569,575,580,582,584,588,626,649,662,671,675,692,693,743,763,784,791,806,836,841,850,918,920,930,936,948,954,964,968,974,1019 +0400_00217 20,94,107,115,207,347,508,516,626,658,727,739,762,790,797,802,948,960,982 +0400_00218 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0400_00219 49,134,153,178,226,270,281,360,440,443,516,550,620,626,640,676,697,733,786,802,812,894,947,948,968,970,998 +0400_00220 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0400_00221 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0400_00222 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +0400_00223 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0400_00224 20,124,138,153,171,207,272,282,294,347,362,387,423,434,497,508,511,526,536,575,627,640,700,727,776,827,833,888,916,919,948,994,1022 +0400_00225 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0400_00226 15,89,122,134,139,153,155,167,169,199,236,245,277,311,326,330,434,452,461,506,508,524,569,582,612,626,632,657,662,766,782,791,805,806,836,850,920,930,936,952,964,968,974,1019 +0400_00227 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0400_00228 20,55,94,107,141,207,270,508,626,727,802,948 +0400_00229 15,47,89,134,226,245,260,294,467,506,508,604,662,675,709,723,776,779,789,836,874,948,981,1020 +0400_00230 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0400_00231 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0400_00232 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0400_00233 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0400_00234 20,94,107,153,196,207,231,329,390,480,508,509,530,531,626,707,727,752,778,787,884,892,976,1022 +0400_00235 20,94,100,144,153,193,258,298,373,480,504,508,626,727,767,837,948,977 +0400_00236 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0400_00237 20,68,94,96,98,134,155,183,242,258,295,360,386,405,439,452,456,477,487,494,508,550,568,580,585,616,626,684,725,727,776,928,936,968,970,1012 +0400_00238 2,20,22,36,89,94,107,153,162,185,201,207,263,311,326,327,330,336,343,347,350,461,467,474,492,507,508,516,626,647,687,692,719,727,762,782,789,791,802,894,902,909,936,948,960,974 +0400_00239 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0400_00240 20,39,94,107,134,153,196,207,312,390,480,508,511,531,626,727,807 +0400_00241 67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 +0400_00242 10,108,134,189,245,311,346,394,416,452,479,485,508,662,744,766,968,1022 +0400_00243 73,134,153,283,328,353,487,521,546,550,592,626,640,781,968 +0400_00244 20,94,153,270,272,360,409,480,508,516,517,530,626,632,633,643,727,730,752,762,778,948,960,976,990 +0400_00245 4,15,19,32,56,65,89,124,134,139,146,163,172,192,238,252,269,288,319,326,369,383,405,422,436,453,461,464,481,486,508,524,525,539,540,558,566,580,598,625,626,629,678,690,701,711,719,728,755,783,815,816,887,905,908,919,936,952,959,960,968,974,975,979,1009 +0400_00246 20,62,94,107,118,141,153,207,231,250,335,441,481,494,508,626,635,679,727,778,826,948,994,1017 +0400_00247 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0400_00248 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0400_00249 6,20,80,94,101,102,106,134,153,220,234,264,326,328,387,393,405,420,456,508,552,580,605,626,640,646,674,685,708,719,727,737,845,948,968 +0400_00250 20,29,50,52,64,94,107,118,134,141,153,207,322,354,372,383,479,481,506,508,515,522,541,550,626,635,640,654,662,676,727,762,778,797,812,833,849,893,896,921,947,951,968,974,989 +0400_00251 3,15,26,134,222,245,298,385,461,498,499,508,626,701,704,765,783,788,819,855,912,948,973,1012 +0400_00252 62,77,96,134,145,153,171,191,270,400,421,481,487,550,588,968,1019 +0400_00253 4,15,32,64,67,89,120,129,132,134,139,146,163,168,238,244,245,252,269,288,309,319,326,337,369,383,405,422,461,481,486,506,508,524,525,532,539,540,582,598,615,626,631,634,662,669,701,711,719,783,792,797,815,816,860,868,876,887,889,905,908,919,936,952,968,974,979,1009 +0400_00254 3,15,26,134,222,245,298,385,461,498,499,508,626,701,704,765,783,788,819,855,912,948,973,1012 +0400_00255 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 +0400_00256 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0400_00257 77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0400_00258 15,20,89,134,153,182,214,234,244,245,247,318,319,387,395,401,405,457,461,508,522,524,529,576,621,686,701,711,724,741,765,865,893,906,925,931,947,948,954,968,986,994,1012 +0400_00259 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 +0400_00260 34,41,69,88,97,110,134,149,223,230,245,304,396,506,508,524,583,585,591,603,607,657,658,662,686,706,806,923,946,948,981,984 +0400_00261 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0400_00262 25,41,62,64,67,134,189,206,216,245,317,405,422,479,506,508,515,517,524,533,582,585,614,620,662,681,686,787,794,806,876,948,968,984 +0400_00263 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0400_00264 20,31,62,68,83,94,96,107,118,134,141,153,207,211,231,265,279,315,347,387,442,481,487,508,511,550,563,626,635,699,727,748,859,887,968,1001,1022 +0400_00265 20,27,29,75,94,134,153,226,235,241,334,353,423,469,480,508,515,522,534,550,626,640,665,676,718,719,727,758,777,947,968 +0400_00266 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0400_00267 19,35,56,65,89,124,134,139,163,172,183,192,215,260,319,405,422,433,436,461,464,481,486,524,525,558,566,580,581,594,625,626,629,678,680,690,719,728,755,783,863,887,919,936,948,959,960,968,974,975 +0400_00268 32,34,41,48,88,132,134,146,188,245,317,405,422,479,506,508,517,524,532,585,603,662,686,701,746,778,787,797,806,923,948,950,968,984 +0400_00269 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0400_00270 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0400_00271 4,35,50,63,67,89,94,127,132,134,137,139,153,163,175,199,207,244,311,316,319,326,327,330,369,374,405,422,461,524,576,626,631,638,675,680,686,719,720,772,783,791,797,801,814,877,919,924,936,948,963,968,974,982 +0400_00272 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0400_00273 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0400_00274 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0400_00275 20,62,94,128,152,153,159,270,279,366,439,480,501,508,516,530,561,584,626,727,871,915,927,948,994 +0400_00276 20,94,134,153,158,271,326,401,420,456,461,508,529,552,555,568,584,626,629,712,727,748,833,968,1002 +0400_00277 134,245,264,266,416,452,464,491,508,524,528,576,585,623,638,657,686,769,877,948,955,968,986,987 +0400_00278 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0400_00279 20,52,72,91,94,107,118,134,138,141,153,182,207,226,270,281,304,353,417,453,474,481,508,515,550,626,635,640,657,697,710,727,753,766,773,808,819,937,968,971,989 +0400_00280 20,64,96,134,141,153,182,200,207,272,341,372,383,389,407,479,481,487,503,508,550,582,596,601,603,635,654,662,714,727,762,778,786,797,812,893,896,916,951,968,989 +0400_00281 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 +0400_00282 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0400_00283 20,52,72,94,107,118,134,138,141,153,180,182,207,242,270,281,417,424,453,481,485,508,550,558,626,635,637,657,697,727,771,792,968,989 +0400_00284 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0400_00285 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0400_00286 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0400_00287 20,68,94,114,134,211,240,283,304,353,425,456,481,487,508,510,534,545,550,626,640,726,727,781,887,928,937,968 +0400_00288 20,94,107,134,153,207,402,480,508,511,541,602,626,650,677,727,802,948 +0400_00289 20,68,94,134,153,226,275,298,322,328,353,414,456,508,550,580,626,640,724,727,746,780,908,909,928,968 +0400_00290 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0400_00291 62,96,134,145,153,178,263,270,360,421,440,443,487,516,550,588,697,786,802,812,851,894,948,968,998 +0400_00292 62,96,117,134,144,145,153,178,270,335,421,487,550,588,632,655,670,721,786,844,847,851,948,968,1012 +0400_00293 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0400_00294 5,20,94,141,153,296,312,480,508,597,626,727,850,1000,1003 +0400_00295 20,68,94,96,134,166,201,253,298,299,353,456,481,498,508,515,550,626,640,658,716,727,851,887,928,955,968 +0400_00296 31,67,113,119,128,134,220,245,255,326,377,452,461,464,496,508,626,640,642,717,869,899,948,968,991 +0400_00297 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0400_00298 20,56,94,107,153,188,207,231,250,278,363,387,480,508,516,523,602,626,673,709,723,727,811,850,881,915,948,992,995,996,1015 +0400_00299 41,65,69,88,134,245,262,328,396,407,479,506,508,524,583,585,603,662,679,686,754,773,784,806,937,940,948,969 +0400_00300 20,31,94,96,107,125,134,138,145,177,203,207,297,298,374,390,415,421,435,487,508,516,550,597,626,727,739,783,897,898,968,992 +0400_00301 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0400_00302 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0400_00303 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0400_00304 25,73,89,96,134,153,170,181,220,311,326,327,330,346,347,369,408,420,433,435,448,461,473,487,522,550,562,597,605,626,660,696,705,719,724,787,790,791,905,936,945,956,968,974,986 +0400_00305 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0400_00306 134,409,550,620,626,640,676,733,947,968 +0400_00307 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0400_00308 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0400_00309 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0400_00310 20,35,94,107,134,153,196,207,208,270,281,390,508,531,550,558,613,620,626,640,676,678,727,733,819,947,968,970,976,989 +0400_00311 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0400_00312 96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0400_00313 13,20,94,144,153,216,240,305,357,373,413,508,626,727,948,977,994 +0400_00314 20,94,107,134,153,167,207,251,270,281,310,311,407,508,516,550,558,602,620,626,640,673,676,727,733,739,762,781,797,819,842,947,948,960,968,970,989 +0400_00315 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0400_00316 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0400_00317 20,34,94,128,153,167,212,264,270,315,353,449,480,508,516,594,626,637,692,727,762,778,850,871,927,930,948 +0400_00318 21,36,134,226,278,349,353,369,381,430,437,476,508,515,550,571,626,640,688,712,825,850,968,1015 +0400_00319 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0400_00320 20,62,93,94,96,107,134,141,145,153,207,210,230,251,270,310,352,421,427,459,480,481,487,498,508,511,516,550,558,588,602,626,635,667,673,727,732,739,840,842,917,952,968,989 +0400_00321 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0400_00322 20,94,107,153,207,231,261,480,508,530,541,594,626,677,682,727,752,755,802,948,956,967 +0400_00323 20,94,128,153,194,207,252,253,254,257,270,299,480,508,516,541,626,692,727,802,871,917,921,927,943,948,994 +0400_00324 8,20,89,90,94,96,134,170,186,220,272,285,347,363,383,389,425,435,461,473,479,487,503,508,531,550,562,607,626,635,654,662,666,677,678,713,714,719,724,727,762,786,790,797,802,839,872,892,896,914,936,968,974,984,995,1006 +0400_00325 20,94,107,153,167,188,207,231,363,415,508,512,516,523,526,602,613,626,673,727,739,762,797,881,915,948,960,992,995,1015 +0400_00326 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0400_00327 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0400_00328 10,11,14,20,26,38,64,88,93,94,107,113,134,136,141,152,153,159,199,203,207,231,245,247,261,274,289,297,306,310,321,349,357,374,383,393,405,410,426,461,475,480,481,506,508,511,512,516,518,530,550,580,582,593,602,606,613,615,625,626,635,662,673,676,727,739,752,789,821,860,866,879,887,889,893,897,943,960,968,1017 +0400_00329 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0400_00330 20,94,134,153,207,339,369,480,508,511,522,626,727,773,802,898,948 +0400_00331 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0400_00332 1,20,31,57,68,96,134,158,181,211,283,314,322,353,374,487,508,516,550,576,626,640,675,724,727,749,782,968 +0400_00333 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0400_00334 20,94,126,153,257,373,419,433,469,480,486,504,508,523,557,626,727,762,850,904,948,1022 +0400_00335 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 +0400_00336 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0400_00337 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +0400_00338 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0400_00339 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0400_00340 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0400_00341 15,20,62,89,96,118,128,132,134,145,146,153,167,189,207,266,286,326,347,419,421,445,487,508,512,524,536,550,572,576,601,622,626,647,686,727,762,772,824,860,863,904,919,942,948,964,968,1000,1003 +0400_00342 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0400_00343 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0400_00344 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0400_00345 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0400_00346 20,94,134,153,231,270,281,295,334,452,480,508,522,550,620,626,640,676,702,727,733,947,968,970 +0400_00347 20,37,81,112,116,134,151,170,272,300,347,385,393,405,473,477,487,508,549,550,585,725,727,840,897,898,922,948,968,1004 +0400_00348 20,31,68,94,96,112,134,211,222,252,278,285,349,456,465,487,503,508,550,563,626,727,850,881,910,928,968 +0400_00349 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0400_00350 20,62,89,94,96,107,113,134,145,153,207,231,244,270,285,341,349,366,380,421,425,440,449,481,487,508,512,516,520,522,530,550,588,602,626,656,673,702,727,739,807,887,901,940,968 +0400_00351 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0400_00352 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0400_00353 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 +0400_00354 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0400_00355 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +0400_00356 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0400_00357 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0400_00358 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0400_00359 2,20,94,144,153,202,207,298,305,373,480,502,508,601,626,672,727,767,802,811,948,997 +0400_00360 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0400_00361 20,47,54,96,114,134,145,153,167,207,239,243,245,263,270,299,314,326,385,405,419,421,432,441,487,508,512,536,545,550,576,585,601,616,626,647,653,670,675,707,727,852,889,894,895,914,935,948,968,994,1000 +0400_00362 14,20,94,107,118,128,141,145,153,157,186,207,226,231,250,257,270,284,285,366,387,403,427,480,481,508,516,530,566,626,627,635,673,690,692,727,739,757,871,917,927,984,997,1006 +0400_00363 20,62,96,134,145,153,249,270,341,421,429,440,446,481,487,508,522,550,588,702,727,874,901,968 +0400_00364 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0400_00365 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0400_00366 15,20,79,89,94,121,134,153,172,245,264,301,374,381,422,479,480,493,497,508,528,530,547,553,562,626,647,660,662,709,727,743,752,773,778,789,803,887,913,952,972,976,981,1003,1008,1023 +0400_00367 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0400_00368 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0400_00369 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0400_00370 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0400_00371 20,30,91,94,134,153,185,198,207,231,261,339,436,480,508,511,530,626,680,727,752,773,802,948 +0400_00372 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0400_00373 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0400_00374 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0400_00375 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0400_00376 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0400_00377 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0400_00378 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0400_00379 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0400_00380 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0400_00381 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0400_00382 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0400_00383 4,15,29,54,69,98,134,144,197,245,301,303,326,335,337,347,353,397,442,461,495,500,508,514,515,527,549,550,618,626,636,640,654,676,705,709,748,753,756,759,778,782,797,798,811,827,835,917,927,936,947,948,968,970 +0400_00384 52,67,95,119,134,153,245,326,419,452,461,464,508,547,626,638,640,642,652,717,776,803,863,869,899,948,968,993,994 +0400_00385 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0400_00386 4,6,20,94,101,134,186,195,198,211,347,408,456,487,508,549,550,626,689,705,727,778,781,892,948,968 +0400_00387 20,31,68,94,96,134,211,265,315,387,442,456,481,487,508,550,626,699,727,887,928,941,968,992 +0400_00388 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0400_00389 20,35,62,94,96,107,134,145,153,196,207,208,230,270,390,421,487,508,531,550,558,588,626,678,727,900,968,976,989 +0400_00390 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0400_00391 1,10,15,25,55,96,134,201,242,245,272,277,309,440,487,495,498,503,506,508,539,550,662,742,786,797,968,986 +0400_00392 20,64,96,134,135,141,153,182,196,207,272,310,347,372,383,389,407,408,479,481,487,491,503,505,508,544,550,603,635,654,662,663,714,727,762,763,778,786,797,812,863,893,896,907,948,951,968,989,994 +0400_00393 20,24,94,107,134,207,263,270,350,378,508,517,550,588,611,620,626,640,647,676,727,733,755,802,947,948,968 +0400_00394 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0400_00395 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0400_00396 8,20,89,94,134,153,245,260,264,350,374,386,391,460,473,480,484,488,497,508,530,547,553,556,613,626,662,704,727,728,752,778,803,860,948,976,981,1008 +0400_00397 20,39,47,49,94,107,153,167,207,508,516,527,602,623,626,655,673,727,739,762,797,802,842,948,960,987 +0400_00398 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0400_00399 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0400_00400 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0400_00401 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0400_00402 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0400_00403 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 +0400_00404 20,28,33,83,94,96,107,115,134,153,207,244,248,272,366,372,383,389,479,487,503,508,516,522,550,554,603,626,654,662,684,714,727,739,762,778,786,790,797,802,812,886,893,896,948,968,978,982 +0400_00405 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0400_00406 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0400_00407 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0400_00408 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0400_00409 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0400_00410 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0400_00411 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0400_00412 134,138,180,242,417,453,505,508,550,620,626,637,640,657,676,733,771,792,947,950,968,989 +0400_00413 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0400_00414 15,54,95,96,134,150,192,205,223,245,274,392,400,452,461,487,498,508,534,544,550,566,568,670,748,758,791,964,968,975,1001 +0400_00415 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0400_00416 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0400_00417 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0400_00418 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0400_00419 20,23,62,134,151,153,211,219,229,245,328,347,353,389,396,430,442,473,508,515,544,592,626,640,648,727,752,879,897,948,968,994,1011 +0400_00420 20,153,171,185,257,343,347,361,505,508,544,640,663,727,800,948,967,994 +0400_00421 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0400_00422 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0400_00423 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0400_00424 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0400_00425 20,28,63,66,92,94,96,134,136,145,207,415,421,487,498,508,522,536,550,575,626,671,676,727,841,909,968 +0400_00426 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0400_00427 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0400_00428 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0400_00429 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0400_00430 5,15,20,40,82,89,92,108,122,134,140,151,153,154,171,201,207,240,252,254,263,268,347,365,433,474,481,492,505,508,516,540,544,587,597,663,686,687,688,727,740,741,762,767,776,802,878,891,896,914,948,960,968,994 +0400_00431 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0400_00432 58,72,134,154,225,550,607,620,626,640,676,712,733,779,825,837,850,946,947,968 +0400_00433 49,67,73,89,153,170,194,207,256,259,262,311,326,327,330,346,347,369,390,435,461,491,538,562,576,580,626,660,697,704,719,787,791,797,802,874,891,936,950,974,979,982 +0400_00434 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0400_00435 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0400_00436 1,20,39,43,50,89,111,112,122,153,247,278,347,435,457,461,467,477,508,544,555,595,657,669,727,750,753,762,775,787,791,825,886,906,913,923,948,974,982,989 +0400_00437 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0400_00438 20,26,37,67,73,80,89,96,97,129,134,144,153,196,199,245,254,260,300,301,339,343,347,348,375,381,410,439,456,460,487,504,505,508,516,524,525,543,549,550,551,574,612,641,655,658,666,670,677,727,733,762,773,778,787,812,844,846,847,886,941,948,955,968,972,980,982,985,1006 +0400_00439 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0400_00440 20,128,153,184,207,270,320,323,347,367,404,408,436,505,508,544,599,663,681,706,727,748,757,802,863,921,948,994 +0400_00441 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0400_00442 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0400_00443 20,53,61,62,73,89,92,96,105,114,123,130,134,138,144,145,151,153,168,206,220,236,242,243,254,255,270,300,301,347,349,380,391,417,421,430,432,433,453,455,487,506,508,515,526,544,549,550,562,566,583,587,588,590,637,638,657,662,670,674,709,718,726,727,746,749,750,781,840,844,858,863,874,879,931,948,968,989 +0400_00444 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0400_00445 20,139,153,343,347,455,475,505,508,530,544,640,663,727,948,991,994,1019 +0400_00446 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0400_00447 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0400_00448 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0400_00449 9,15,20,52,62,89,94,115,147,153,160,188,190,207,223,231,237,258,347,408,420,473,475,476,478,505,508,516,518,524,539,544,551,596,612,619,626,647,663,664,673,677,727,752,764,771,772,776,802,827,850,854,863,902,948,964,971,981,994,1007,1009,1014 +0400_00450 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0400_00451 23,51,80,96,101,134,139,145,147,153,167,181,182,187,207,220,221,231,318,336,347,360,367,379,408,421,487,500,516,523,550,580,601,647,649,705,748,782,802,812,948,957,968,979,998 +0400_00452 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0400_00453 9,11,15,34,67,88,89,91,96,111,113,134,144,145,153,175,195,210,214,218,236,237,328,372,373,410,411,421,454,473,487,524,550,619,626,678,767,772,784,785,788,843,908,954,968,994,999,1005 +0400_00454 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0400_00455 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0400_00456 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0400_00457 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0400_00458 14,20,62,69,94,107,110,118,128,141,145,153,159,207,231,242,250,257,270,274,283,284,285,327,342,354,363,366,380,403,440,474,480,481,508,516,530,556,626,627,635,673,680,690,692,727,739,755,757,778,826,871,878,915,917,923,927,948,984,994 +0400_00459 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0400_00460 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0400_00461 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0400_00462 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0400_00463 4,41,60,75,81,96,112,134,181,222,252,278,304,347,408,434,487,508,514,549,550,627,648,669,705,778,850,881,919,948,968,980,983 +0400_00464 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0400_00465 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0400_00466 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0400_00467 20,84,93,96,134,145,151,153,167,188,207,212,213,247,275,319,347,363,387,394,395,405,421,487,505,508,524,544,548,550,601,606,647,663,704,727,741,747,771,785,786,802,808,878,925,948,968,994 +0400_00468 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0400_00469 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0400_00470 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0400_00471 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0400_00472 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0400_00473 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0400_00474 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0400_00475 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0400_00476 7,15,19,20,21,25,26,89,107,117,134,148,153,214,222,245,255,267,269,285,293,308,315,326,338,342,343,351,357,399,401,406,427,492,494,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,772,819,821,836,840,841,847,866,898,936,948,968,995,996,1021,1022 +0400_00477 5,15,19,20,21,25,26,89,107,117,134,141,148,153,165,182,214,222,245,255,267,269,285,288,308,311,315,326,343,347,351,357,372,399,401,408,421,450,492,499,503,508,513,517,544,558,566,580,602,603,626,647,656,727,742,744,746,762,767,772,819,836,840,855,886,898,900,928,936,948,968,989,996,1014,1022 +0400_00478 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 +0400_00479 17,20,21,44,51,96,130,134,155,164,220,347,360,367,370,447,476,487,508,515,520,550,569,576,616,671,689,705,725,727,739,744,762,828,886,946,948,968,993 +0400_00480 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 diff --git a/processed_data/0400/0400_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0400/0400_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..a5126982a --- /dev/null +++ b/processed_data/0400/0400_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,481 @@ +id bits.on +0400_00001 15,73,81,89,116,134,175,183,237,272,298,371,380,385,393,405,419,487,524,543,550,585,620,651,666,683,686,725,752,772,928,929,937,948,968 +0400_00002 21,22,77,153,346,360,361,436,477,480,481,516,527,700,778,800,869,913 +0400_00003 21,22,77,153,346,360,436,481,516,527,700,778,800,869,913 +0400_00004 21,22,77,118,153,346,360,361,424,436,480,481,516,527,700,778,800,869,880,913 +0400_00005 20,21,22,77,153,169,172,250,270,272,346,360,361,371,436,477,480,481,508,516,527,632,633,643,700,727,762,778,800,869,913,948,960 +0400_00006 77,153,436,481,708,778,913 +0400_00007 77,88,115,117,134,153,195,356,387,395,405,479,481,545,662,669,786,787,913,968 +0400_00008 77,153,424,436,481,646,778,913 +0400_00009 77,153,241,424,436,481,556,778,864,913 +0400_00010 20,35,77,134,153,247,273,319,356,387,395,405,481,524,576,686,786,862,913,925,947,948,968,986 +0400_00011 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 +0400_00012 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +0400_00013 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0400_00014 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +0400_00015 20,21,77,94,104,107,141,153,207,481,508,626,727,776,789,849 +0400_00016 20,77,94,107,141,153,207,231,301,343,436,481,508,509,605,626,643,702,727,778,836,877,913 +0400_00017 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0400_00018 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 +0400_00019 19,20,138,141,153,202,207,225,231,269,387,438,481,508,547,606,688,700,713,718,727,771,776,778,813,833,919,932,948 +0400_00020 19,20,94,107,134,141,153,207,213,247,319,326,387,395,405,481,486,508,524,576,626,686,705,727,741,776,789,925,947,948,968,986,989 +0400_00021 72,85,89,153,166,179,187,229,232,311,326,442,461,481,553,626,647,651,687,719,743,746,830,839,936,967,974 +0400_00022 72,85,89,153,166,187,311,326,351,442,461,481,553,626,647,687,719,743,746,757,830,839,893,917,936,967,974 +0400_00023 72,85,89,107,153,166,187,222,311,326,351,442,461,481,626,637,647,687,715,719,743,746,757,830,893,936,974 +0400_00024 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0400_00025 20,94,107,141,153,165,207,217,231,481,508,515,545,626,727,771,776,778,789,982 +0400_00026 20,94,128,141,153,186,207,257,270,371,387,478,480,481,508,516,533,626,692,727,776,812,871,872,917,927,941,1006 +0400_00027 21,22,59,152,153,259,326,360,516,626,666,932 +0400_00028 20,77,94,153,281,480,481,508,530,613,626,727,752,913 +0400_00029 20,34,45,94,107,141,146,153,168,197,207,217,231,236,255,481,508,522,626,675,727,743,776,789,875,889,948,1009 +0400_00030 20,33,63,77,94,95,128,153,270,366,439,480,481,501,508,516,626,649,727,871,927,1019 +0400_00031 57,72,76,89,109,153,166,173,177,187,266,347,351,442,461,481,508,553,555,588,626,634,647,687,692,719,743,763,830,839,917,936,954,963,967,974,982 +0400_00032 153,326,626,666,700,718,833,916,919,932,948 +0400_00033 57,77,153,207,240,389,481,508,626,692,757,913,936,954 +0400_00034 20,94,107,141,153,207,209,242,293,379,383,481,508,552,626,727,776,789,846,915,999 +0400_00035 20,75,94,107,141,153,207,217,225,231,259,261,341,409,481,508,545,626,659,698,704,715,727,756,771,776,778,789,812,833,915,940 +0400_00036 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 +0400_00037 6,29,77,102,134,146,152,153,171,182,195,220,234,264,326,328,330,387,393,405,420,481,580,596,605,626,640,708,719,746,948,968 +0400_00038 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 +0400_00039 15,20,94,107,141,153,176,207,302,323,326,346,390,481,508,533,538,562,576,616,626,701,727,734,815,926 +0400_00040 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 +0400_00041 20,94,107,116,141,153,207,340,341,353,440,481,508,511,626,727,776,779,789 +0400_00042 35,43,70,72,86,89,134,139,146,153,166,177,215,217,236,297,347,351,442,461,481,508,555,573,608,609,626,662,687,719,777,872,917,936,963,974,994 +0400_00043 57,77,153,163,266,347,430,442,481,508,588,626,636,692,763,913,954,981 +0400_00044 89,562,626,719,936,962 +0400_00045 14,77,145,153,262,451,481,508,591,626,842,913,972 +0400_00046 57,153,266,347,378,430,508,540,566,588,600,626,692,700,718,763,833,919,932,948,954,981,994 +0400_00047 20,94,105,107,113,141,153,207,210,217,231,246,341,440,481,508,530,583,626,727,776,789,940 +0400_00048 20,94,107,141,207,383,481,508,626,634,727,802,948 +0400_00049 4,20,94,107,116,134,141,153,207,480,481,508,511,626,727,743,776,789 +0400_00050 45,77,92,139,146,153,236,413,481,508,609,626,913 +0400_00051 20,94,107,141,207,481,508,551,626,727,802,948,964 +0400_00052 15,20,32,33,89,94,194,216,438,508,560,626,645,662,677,727,742,776,818,936,964 +0400_00053 20,74,94,107,141,146,207,228,338,365,390,481,508,626,727,802,948 +0400_00054 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 +0400_00055 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 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20,35,43,85,89,94,153,187,263,311,326,349,351,442,461,474,492,508,516,626,643,647,687,719,727,743,757,762,790,822,936,948,960,974 +0400_00136 1,26,39,60,85,87,89,94,139,153,162,174,183,270,287,311,313,326,347,351,385,402,410,442,461,464,486,496,499,523,551,557,562,626,689,719,743,753,829,868,936,974,1015 +0400_00137 63,67,94,134,143,199,317,319,360,363,405,422,458,479,515,517,524,550,576,600,614,662,666,675,686,693,787,948,968,982,984,1017 +0400_00138 15,85,89,153,180,217,311,326,351,413,442,461,462,542,545,548,622,626,631,711,719,733,782,858,936 +0400_00139 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 +0400_00140 15,20,26,39,89,94,187,193,213,502,508,548,570,599,626,675,719,727,819,855,936,974,976 +0400_00141 20,66,69,94,107,115,134,141,153,207,242,271,379,409,480,481,508,626,674,727,776,789,908,909,915,969 +0400_00142 15,28,77,89,134,177,237,245,252,481,508,544,687,772,773,847,924 +0400_00143 20,94,134,169,239,245,385,405,456,508,550,585,626,727,739,798,897,914,931,947,968 +0400_00144 36,134,166,260,278,347,349,505,508,549,550,666,712,778,812,825,850,897,948,964,968,980,1013 +0400_00145 20,77,94,107,153,167,180,207,225,231,424,436,458,481,504,508,512,516,602,613,626,637,673,727,739,762,778,797,897,913,948,960 +0400_00146 77,134,153,207,254,270,278,279,326,350,390,481,550,620,626,629,640,647,676,733,810,813,849,947,968 +0400_00147 20,44,57,71,72,75,89,123,134,138,153,173,177,235,276,297,341,347,351,359,406,432,442,443,461,481,487,508,528,550,555,612,626,627,669,692,719,721,727,745,763,769,795,810,841,842,843,850,854,871,877,881,897,898,899,918,936,954,968,974,1005 +0400_00148 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0400_00149 20,94,107,118,141,153,186,207,231,250,387,396,481,508,535,607,626,635,656,727 +0400_00150 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0400_00151 20,77,118,153,270,272,360,364,424,436,480,481,508,516,630,632,633,643,727,762,778,913,948,960 +0400_00152 34,134,153,154,207,224,226,227,279,350,353,369,381,390,476,515,516,539,550,626,640,647,658,659,802,867,904,906,934,940,948,968,998 +0400_00153 35,83,134,173,220,245,248,317,374,385,405,421,422,481,506,508,557,622,662,668,686,738,887,948,958,968 +0400_00154 70,85,89,115,134,139,146,153,201,245,252,269,311,326,338,379,403,405,422,442,452,459,460,461,465,480,481,508,510,523,524,525,539,560,596,615,626,657,716,765,773,816,833,852,868,887,919,920,928,952,968,974,1009,1012 +0400_00155 24,57,85,89,134,139,153,167,212,245,274,281,287,311,326,347,384,387,401,405,432,442,452,460,461,465,467,481,508,523,524,548,560,588,596,599,615,626,631,657,660,681,692,716,719,749,761,765,833,835,887,928,936,952,954,968,974 +0400_00156 20,94,128,153,163,278,480,508,516,528,626,727,767,804,811,850,927,970 +0400_00157 20,56,94,107,153,207,263,279,293,341,353,440,481,508,511,516,626,647,655,727,737,739,762,797,948,960,981 +0400_00158 10,15,20,39,89,94,134,199,201,217,245,264,331,411,462,506,508,540,553,560,617,626,662,677,707,712,727,981,1022 +0400_00159 20,31,86,94,134,137,223,245,351,456,489,506,508,513,626,662,672,727,731,766,866,928,930,968,971,981,997 +0400_00160 25,134,146,172,192,236,280,508,532,550,609,620,626,640,676,733,947,968,971,972 +0400_00161 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 +0400_00162 85,89,134,139,153,159,197,212,245,274,311,326,351,387,390,401,405,442,452,460,461,465,481,508,523,524,560,596,615,626,631,657,681,710,716,719,743,765,807,833,887,928,936,952,968,974 +0400_00163 15,35,57,89,109,127,128,134,139,153,173,245,266,283,314,346,347,405,413,442,452,460,461,465,481,508,523,524,555,560,588,596,615,626,657,687,692,716,743,763,765,814,816,824,833,887,894,924,928,932,936,952,954,964,968,974,980 +0400_00164 20,34,57,76,89,109,134,139,153,159,173,177,197,212,266,319,321,341,342,347,351,384,387,401,405,422,432,442,461,481,508,524,555,578,588,626,652,678,692,719,727,740,743,746,763,783,842,874,887,936,954,968,974,975,980,987,997 +0400_00165 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 +0400_00166 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0400_00167 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0400_00168 15,20,32,89,94,199,233,237,262,276,404,411,427,438,473,508,626,662,677,727,772,876,889,924 +0400_00169 20,94,134,160,177,195,252,304,366,387,395,405,445,469,479,508,510,551,611,626,662,727,787,850,968,973 +0400_00170 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 +0400_00171 2,15,134,201,226,233,245,350,424,506,508,553,559,569,628,662,723,766,981,1022 +0400_00172 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0400_00173 20,56,94,107,134,153,207,263,480,508,511,516,564,626,647,655,672,727,739,762,797,857,948,960,981 +0400_00174 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0400_00175 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0400_00176 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0400_00177 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0400_00178 19,20,91,93,94,107,134,141,153,207,226,262,270,281,353,369,381,476,481,482,508,515,528,550,601,604,626,640,727,776,789,808,968,977,989 +0400_00179 15,31,35,85,89,127,134,139,153,245,283,311,314,326,346,405,413,430,442,452,460,461,465,481,508,523,524,560,596,615,626,657,716,742,765,814,824,833,887,894,924,928,936,952,964,968,974,980 +0400_00180 57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 +0400_00181 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0400_00182 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0400_00183 15,57,89,109,127,128,134,139,153,167,169,173,236,245,266,277,283,314,347,413,434,440,442,452,461,506,508,524,555,569,588,620,626,657,662,687,692,743,763,764,766,806,814,816,824,932,936,952,954,964,968,974,980 +0400_00184 77,134,145,153,181,226,262,270,281,353,356,369,381,476,481,515,550,601,626,640,711,740,786,913,968 +0400_00185 20,21,82,94,107,141,153,203,207,217,231,261,347,430,475,480,481,485,508,530,544,545,626,640,727,752,776,789,797,850,950,1019,1022 +0400_00186 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0400_00187 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0400_00188 57,76,89,96,103,109,125,132,134,139,153,159,164,173,177,197,212,223,245,266,307,319,337,347,351,368,387,388,401,405,422,442,461,506,508,524,555,582,585,588,626,631,645,662,692,696,719,727,731,743,763,783,848,867,874,936,954,968,974,980,981,990,997,1007 +0400_00189 75,96,134,265,283,315,353,372,481,487,519,550,626,640,675,699,887,968 +0400_00190 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0400_00191 20,94,134,245,298,335,454,456,479,504,506,508,554,582,611,626,662,720,727,783,837,896,937,946,949,968,981 +0400_00192 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0400_00193 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0400_00194 10,20,68,94,134,211,265,293,322,328,431,433,456,481,487,508,550,626,640,699,727,781,849,858,872,887,928,968 +0400_00195 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0400_00196 15,20,33,35,89,94,134,201,245,248,264,422,508,554,626,645,662,677,727,737,772,1022 +0400_00197 15,19,56,57,65,89,109,127,128,134,139,153,172,173,266,283,314,319,347,405,413,422,436,442,461,480,481,486,508,524,525,555,558,566,580,588,625,626,629,678,687,690,692,717,728,743,755,763,781,783,794,814,816,824,887,932,936,954,960,964,968,974,975,980,1021 +0400_00198 15,20,80,89,94,134,199,201,245,264,411,429,508,554,626,662,677,727,772,842,954,1022 +0400_00199 20,56,94,105,107,128,129,131,141,153,207,217,231,254,257,270,365,366,375,399,480,481,508,516,530,583,612,626,674,692,727,739,757,776,789,812,829,871,917,927,947,948,994 +0400_00200 20,34,85,89,134,139,153,159,197,212,311,319,321,326,341,342,351,384,387,390,401,405,422,432,442,461,481,508,524,578,626,652,678,710,719,727,740,743,746,783,842,887,936,968,974,975,987 +0400_00201 1,15,32,56,65,74,89,133,134,137,175,184,194,233,260,268,325,353,369,398,400,409,419,515,626,633,640,642,662,828,880,908,948,968,1006,1022 +0400_00202 15,134,201,245,439,486,506,508,524,526,650,662,680,686,727,806,849,948 +0400_00203 20,94,107,153,167,207,231,247,261,349,383,480,508,512,516,530,536,602,613,626,673,727,739,752,762,797,948,960 +0400_00204 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0400_00205 85,89,134,139,153,159,167,169,197,212,227,236,245,277,285,311,326,351,361,387,390,401,434,442,452,461,506,508,524,569,626,630,657,662,710,719,743,766,806,936,952,968,974 +0400_00206 19,56,65,85,89,100,134,139,146,153,172,209,212,252,269,292,299,311,319,326,379,387,402,405,422,436,442,459,461,481,486,499,508,524,525,539,558,566,580,625,626,629,653,678,690,728,753,755,783,816,868,875,887,920,960,968,974,975,990,1009 +0400_00207 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0400_00208 20,94,128,153,215,270,294,366,439,480,501,508,516,548,626,693,727,871,927,944,948,994 +0400_00209 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0400_00210 19,20,51,52,56,65,69,81,89,94,107,121,134,139,141,153,155,159,172,197,206,207,212,217,231,310,319,351,363,387,401,405,417,422,436,442,461,481,486,508,524,525,540,558,566,580,621,625,626,629,653,658,678,690,701,711,719,727,728,755,776,783,789,819,887,915,935,936,960,968,974,975,990,1017 +0400_00211 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 +0400_00212 20,21,94,153,337,480,508,530,626,727,752 +0400_00213 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0400_00214 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0400_00215 13,15,20,22,38,56,88,89,100,117,134,150,153,170,175,190,195,201,207,211,213,237,245,264,307,331,341,347,371,384,387,391,395,397,405,411,415,429,479,481,508,516,524,554,611,615,645,646,662,727,739,749,772,787,814,835,842,866,914,942,968,984,989,1009,1022 +0400_00216 15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 +0400_00217 20,94,107,207,247,370,508,516,626,657,686,727,739,762,797,802,948,960,973 +0400_00218 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0400_00219 49,134,153,178,226,270,281,360,440,443,516,550,620,626,640,676,697,733,786,802,812,894,947,948,968,970,998 +0400_00220 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0400_00221 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0400_00222 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +0400_00223 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0400_00224 20,124,138,153,171,207,272,282,294,347,362,387,423,434,497,508,511,526,536,575,627,640,700,727,776,827,833,888,916,919,948,994,1022 +0400_00225 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0400_00226 15,31,85,89,127,134,139,153,167,169,236,245,277,283,311,314,326,413,430,434,440,442,452,461,506,508,524,569,620,626,657,662,742,764,766,806,814,824,936,952,964,968,974,980 +0400_00227 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0400_00228 20,55,94,107,141,207,270,508,626,727,802,948 +0400_00229 15,47,89,134,226,245,260,294,467,506,508,604,662,675,709,723,776,779,789,836,874,948,981,1020 +0400_00230 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0400_00231 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0400_00232 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0400_00233 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0400_00234 20,94,107,153,196,207,231,329,390,480,508,509,530,531,626,707,727,752,778,787,884,892,976,1022 +0400_00235 20,94,100,144,153,193,258,298,373,480,504,508,626,727,767,837,948,977 +0400_00236 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0400_00237 20,68,94,96,98,134,155,183,242,258,295,360,386,405,439,452,456,477,487,494,508,550,568,580,585,616,626,684,725,727,776,928,936,968,970,1012 +0400_00238 20,29,33,85,89,90,94,107,121,153,168,179,187,207,263,265,267,311,326,347,432,442,461,467,474,492,508,516,522,622,626,632,634,647,654,687,719,727,743,762,802,822,936,948,960,974 +0400_00239 64,67,85,89,120,129,132,134,139,145,153,159,163,168,197,209,212,245,304,309,311,319,326,337,351,387,390,401,405,422,442,461,481,486,506,508,524,582,615,626,631,662,669,710,719,722,743,783,792,860,868,887,889,936,968,974,1004 +0400_00240 20,94,107,134,153,207,390,480,493,508,511,626,676,727,784,795,976 +0400_00241 67,77,85,89,132,134,137,139,145,153,159,168,197,209,212,245,304,311,315,317,319,326,351,387,390,401,405,422,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,710,719,743,783,787,804,836,866,936,968,974 +0400_00242 10,108,134,189,245,311,346,394,416,452,479,485,508,662,744,766,968,1022 +0400_00243 73,134,153,283,328,353,487,521,546,550,592,626,640,781,968 +0400_00244 20,94,153,270,272,360,409,480,508,516,517,530,626,632,633,643,727,730,752,762,778,948,960,976,990 +0400_00245 15,19,56,65,89,134,139,146,152,155,168,172,212,251,252,267,269,288,318,319,369,401,405,422,427,436,461,481,486,508,524,525,539,540,547,557,558,566,580,625,626,629,653,678,690,691,711,719,728,741,747,754,755,769,783,816,817,887,936,960,968,974,975,979,990,1009 +0400_00246 20,62,94,107,141,153,206,207,217,231,481,508,529,545,626,727,771,776,778,789,826,948,994,1017 +0400_00247 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0400_00248 20,41,94,107,141,153,207,228,254,326,365,481,490,508,626,727,802,835,875,948,994 +0400_00249 6,20,80,94,101,102,106,134,153,220,234,264,326,328,387,393,405,420,456,508,552,580,605,626,640,646,674,685,708,719,727,737,845,948,968 +0400_00250 20,29,50,52,64,94,107,118,134,141,153,207,322,354,372,383,479,481,506,508,515,522,541,550,626,635,640,654,662,676,727,762,778,797,812,833,849,893,896,921,947,951,968,974,989 +0400_00251 3,15,26,134,222,245,286,298,314,368,385,461,498,499,508,626,701,765,788,819,855,912,948,973,1012 +0400_00252 62,77,96,134,145,153,171,191,270,400,421,481,487,550,588,968,1019 +0400_00253 15,48,64,67,89,120,129,132,134,139,145,146,152,163,168,212,245,252,267,269,288,304,309,318,319,337,369,401,405,422,427,461,481,486,506,508,524,525,539,540,547,557,582,615,626,631,662,669,691,711,719,722,741,747,754,769,783,792,816,817,860,868,887,889,936,968,974,979,1004,1009 +0400_00254 3,15,26,134,222,245,298,385,461,498,499,508,626,701,704,765,783,788,819,855,912,948,973,1012 +0400_00255 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 +0400_00256 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0400_00257 77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0400_00258 15,19,20,89,97,134,153,184,214,244,245,247,319,354,387,395,405,461,508,522,524,532,548,576,636,686,701,711,763,780,896,906,908,925,947,948,955,959,968,986,994,1012 +0400_00259 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 +0400_00260 34,41,69,88,97,110,134,149,223,230,245,304,396,506,508,524,583,585,591,603,607,657,658,662,686,706,806,923,946,948,981,984 +0400_00261 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0400_00262 25,41,62,64,67,134,189,206,216,245,317,405,422,479,506,508,515,517,524,533,582,585,614,620,662,681,686,787,794,806,876,948,968,984 +0400_00263 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0400_00264 20,31,62,68,83,94,96,107,118,134,141,153,207,211,231,265,279,315,347,387,442,481,487,508,511,550,563,626,635,699,727,748,859,887,968,1001,1022 +0400_00265 20,27,29,75,94,134,153,226,235,241,334,353,423,469,480,508,515,522,534,550,626,640,665,676,718,719,727,758,777,947,968 +0400_00266 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0400_00267 19,56,65,89,126,134,139,155,159,172,212,260,319,367,382,401,405,422,436,461,481,486,524,525,558,566,580,625,626,629,647,653,678,690,719,728,755,783,878,887,936,948,960,968,974,975,989,990,998 +0400_00268 32,34,41,48,88,132,134,146,188,245,317,405,422,479,506,508,517,524,532,585,603,662,686,701,746,778,787,797,806,923,948,950,968,984 +0400_00269 15,31,85,89,127,134,139,153,185,220,245,283,301,303,311,314,326,340,379,413,430,442,461,477,506,508,524,533,569,575,582,626,638,649,662,671,675,742,806,814,824,874,918,936,948,964,968,974,980 +0400_00270 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0400_00271 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +0400_00272 34,35,75,134,144,151,153,170,196,207,226,227,251,279,326,350,353,373,390,403,420,515,516,544,550,605,626,640,647,677,689,714,719,771,772,867,906,948,963,968,977 +0400_00273 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0400_00274 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0400_00275 20,62,94,128,152,153,159,270,279,366,439,480,501,508,516,530,561,584,626,727,871,915,927,948,994 +0400_00276 20,94,134,153,158,271,326,401,420,456,461,508,529,552,555,568,584,626,629,712,727,748,833,968,1002 +0400_00277 134,245,264,266,416,452,464,491,508,524,528,576,585,623,638,657,686,769,877,948,955,968,986,987 +0400_00278 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0400_00279 19,20,91,94,107,134,138,141,153,207,226,270,281,304,353,412,417,453,474,481,482,508,515,528,550,626,640,657,697,710,727,766,776,789,808,819,937,968,971,977,989 +0400_00280 20,64,96,134,141,153,207,256,269,272,287,341,372,383,389,407,479,481,487,503,508,530,550,601,603,615,654,662,714,727,762,776,778,786,797,812,893,896,947,968,989 +0400_00281 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 +0400_00282 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0400_00283 20,72,94,107,134,138,141,153,180,207,242,250,270,281,324,343,417,453,481,485,508,550,558,626,637,657,702,727,771,792,850,906,968,989,1008 +0400_00284 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0400_00285 20,94,118,144,145,153,207,270,313,326,360,390,423,467,480,482,502,508,516,530,535,541,554,626,669,681,688,727,752,763,857,888,917,948,977 +0400_00286 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0400_00287 20,68,94,114,134,211,240,283,304,353,425,456,481,487,508,510,534,545,550,626,640,726,727,781,887,928,937,968 +0400_00288 20,94,107,134,153,207,402,480,508,511,541,602,626,650,677,727,802,948 +0400_00289 20,68,94,134,153,226,275,298,322,328,353,414,456,508,550,580,626,640,724,727,746,780,908,909,928,968 +0400_00290 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0400_00291 62,96,134,145,153,178,263,270,360,421,440,443,487,516,550,588,697,786,802,812,851,894,948,968,998 +0400_00292 62,96,117,134,144,145,153,178,270,335,421,487,550,588,632,655,670,721,786,844,847,851,948,968,1012 +0400_00293 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0400_00294 5,20,94,141,153,296,312,480,508,597,626,727,850,1000,1003 +0400_00295 20,68,94,96,134,166,201,253,298,299,353,456,481,498,508,515,550,626,640,658,716,727,851,887,928,955,968 +0400_00296 31,67,113,119,128,134,220,245,255,326,377,452,461,464,496,508,626,640,642,717,869,899,948,968,991 +0400_00297 15,54,85,89,93,134,153,167,192,197,200,216,220,245,274,300,301,303,311,326,347,351,353,397,400,442,452,461,493,508,515,533,544,557,562,566,567,568,602,626,640,674,689,705,719,743,748,765,810,839,845,936,938,968,974,1001,1012,1016 +0400_00298 20,94,107,153,188,207,231,278,363,387,391,398,407,504,508,516,536,626,727,811,850,881,915,927,936,948,992,996,1015 +0400_00299 41,65,69,88,134,245,262,328,396,407,479,506,508,524,583,585,603,662,679,686,754,773,784,806,937,940,948,969 +0400_00300 20,31,94,96,107,125,134,138,145,177,203,207,297,298,374,390,415,421,435,487,508,516,550,597,626,727,739,783,897,898,968,992 +0400_00301 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0400_00302 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0400_00303 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0400_00304 25,70,85,89,93,96,134,153,181,197,200,216,220,300,311,326,347,351,408,420,433,442,448,461,487,493,533,550,557,562,602,605,626,689,696,705,719,742,743,765,936,945,956,968,974 +0400_00305 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0400_00306 134,409,550,620,626,640,676,733,947,968 +0400_00307 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0400_00308 3,15,17,40,73,89,129,134,182,214,226,228,231,259,288,337,353,369,371,381,394,413,415,444,461,476,494,503,511,515,534,540,550,552,564,588,594,626,640,676,750,759,888,904,936,947,951,968,1019 +0400_00309 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +0400_00310 20,35,94,107,134,153,196,207,208,270,281,390,508,531,550,558,613,620,626,640,676,678,727,733,819,947,968,970,976,989 +0400_00311 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0400_00312 96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0400_00313 13,20,94,144,153,216,240,305,357,373,413,508,626,727,948,977,994 +0400_00314 20,56,94,107,134,153,207,270,281,508,516,550,558,620,626,640,647,655,676,725,727,731,733,739,741,762,797,819,947,948,950,960,968,970,978,989,992 +0400_00315 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0400_00316 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0400_00317 20,34,94,128,153,167,212,264,270,315,353,449,480,508,516,594,626,637,692,727,762,778,850,871,927,930,948 +0400_00318 21,36,134,226,278,349,353,369,381,430,437,476,508,515,550,571,626,640,688,712,825,850,968,1015 +0400_00319 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0400_00320 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 +0400_00321 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0400_00322 20,94,107,153,207,231,261,480,508,530,541,594,626,677,682,727,752,755,802,948,956,967 +0400_00323 20,94,128,153,194,207,252,253,254,257,270,299,480,508,516,541,626,692,727,802,871,917,921,927,943,948,994 +0400_00324 7,20,37,89,90,94,96,134,149,164,186,195,204,220,247,272,285,300,347,383,389,461,479,487,493,503,508,533,550,557,562,607,626,654,662,666,677,678,714,719,727,762,777,779,786,797,799,802,865,892,896,936,964,968,974,984 +0400_00325 20,94,107,153,167,188,207,231,363,415,508,512,516,523,526,602,613,626,673,727,739,762,797,881,915,948,960,992,995,1015 +0400_00326 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0400_00327 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0400_00328 10,11,14,20,26,38,56,64,88,93,94,97,107,134,136,141,152,153,159,202,203,207,231,245,261,274,289,297,306,310,321,357,367,374,393,405,410,426,475,480,481,506,508,511,516,518,530,550,580,582,588,593,606,613,615,625,626,635,655,662,676,727,739,752,789,810,821,860,866,879,887,889,893,896,897,943,968,1005,1017 +0400_00329 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0400_00330 20,94,134,153,207,339,369,480,508,511,522,626,727,773,802,898,948 +0400_00331 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0400_00332 1,20,31,57,68,96,134,158,181,211,283,314,322,353,374,487,508,516,550,576,626,640,675,724,727,749,782,968 +0400_00333 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0400_00334 20,94,126,153,257,373,419,433,469,480,486,504,508,523,557,626,727,762,850,904,948,1022 +0400_00335 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 +0400_00336 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0400_00337 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +0400_00338 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0400_00339 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0400_00340 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0400_00341 15,20,89,96,118,128,132,134,145,146,153,167,207,221,228,266,286,326,347,359,419,421,445,487,508,512,524,536,550,572,576,601,626,647,686,727,762,772,824,860,863,866,904,919,942,948,964,968,1000 +0400_00342 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0400_00343 13,15,20,56,62,77,89,94,96,107,134,145,153,175,178,190,207,225,231,237,267,270,284,307,367,371,384,389,397,415,421,424,429,436,458,469,477,481,487,504,508,516,523,524,540,550,582,588,606,621,626,645,655,677,727,772,776,778,786,807,814,826,827,851,868,913,935,968,984 +0400_00344 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0400_00345 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0400_00346 20,94,134,153,231,270,281,295,334,452,480,508,522,550,620,626,640,676,702,727,733,947,968,970 +0400_00347 20,37,81,112,116,134,151,170,272,300,347,385,393,405,473,477,487,508,549,550,585,725,727,840,897,898,922,948,968,1004 +0400_00348 20,31,68,94,96,112,134,211,222,252,278,285,349,456,465,487,503,508,550,563,626,727,850,881,910,928,968 +0400_00349 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0400_00350 20,56,62,94,96,107,113,134,145,153,207,231,244,270,341,348,366,421,425,440,465,481,487,508,516,522,530,550,588,626,655,702,727,739,807,829,833,887,893,896,901,930,940,968 +0400_00351 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0400_00352 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0400_00353 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 +0400_00354 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0400_00355 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +0400_00356 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0400_00357 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0400_00358 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0400_00359 2,20,59,80,86,94,144,153,207,298,305,373,379,480,508,626,727,767,802,896,948,1009 +0400_00360 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0400_00361 20,47,54,96,114,134,145,153,167,207,239,243,245,263,270,299,314,326,385,405,419,421,432,441,487,508,512,536,545,550,576,585,601,616,626,647,653,670,675,707,727,852,889,894,895,914,935,948,968,994,1000 +0400_00362 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 +0400_00363 20,62,96,134,145,153,249,270,341,421,429,440,446,481,487,508,522,550,588,702,727,874,901,968 +0400_00364 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0400_00365 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0400_00366 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 +0400_00367 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0400_00368 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0400_00369 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0400_00370 15,20,24,26,59,84,89,94,96,108,116,117,128,134,141,145,167,192,207,245,311,351,364,371,396,421,481,487,492,499,508,516,524,544,547,550,593,601,603,614,618,624,626,636,647,677,679,727,766,773,792,833,851,864,904,917,948,968,1007 +0400_00371 20,30,91,94,134,153,185,198,207,231,261,339,436,480,508,511,530,626,680,727,752,773,802,948 +0400_00372 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0400_00373 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0400_00374 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0400_00375 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0400_00376 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0400_00377 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0400_00378 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0400_00379 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0400_00380 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +0400_00381 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0400_00382 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0400_00383 4,15,29,54,69,98,134,144,197,245,301,303,326,335,337,347,353,397,442,461,495,500,508,514,515,527,549,550,618,626,636,640,654,676,705,709,748,753,756,759,778,782,797,798,811,827,835,917,927,936,947,948,968,970 +0400_00384 52,67,95,119,134,153,245,326,419,452,461,464,508,547,626,638,640,642,652,717,776,803,863,869,899,948,968,993,994 +0400_00385 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0400_00386 4,6,20,94,101,134,186,195,198,211,347,408,456,487,508,549,550,626,689,705,727,778,781,892,948,968 +0400_00387 20,31,68,94,96,134,211,265,315,387,442,456,481,487,508,550,626,699,727,887,928,941,968,992 +0400_00388 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0400_00389 16,20,62,94,96,107,134,145,153,207,230,270,390,421,441,487,508,550,558,588,626,680,727,775,784,968,976,989,1012 +0400_00390 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0400_00391 1,10,15,25,55,96,134,201,242,245,272,277,309,440,487,495,498,503,506,508,539,550,662,742,786,797,968,986 +0400_00392 20,64,96,134,141,153,168,189,200,207,269,272,347,372,383,384,389,407,408,442,479,481,487,503,505,508,544,550,603,615,654,662,663,714,727,762,776,778,786,797,812,863,893,896,931,948,968,989,994 +0400_00393 20,24,94,107,134,207,263,270,350,378,508,517,550,588,611,620,626,640,647,676,727,733,755,802,947,948,968 +0400_00394 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0400_00395 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0400_00396 20,89,94,134,153,169,245,260,264,391,462,473,480,497,508,530,547,553,556,606,626,662,727,752,757,778,781,803,829,904,907,942,948,954,976,981,1008 +0400_00397 20,39,49,56,61,94,107,153,207,255,500,508,516,527,555,626,647,655,687,727,739,762,797,802,948,960 +0400_00398 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0400_00399 20,39,49,94,107,153,169,207,390,398,508,511,527,626,694,727,802,948,1010 +0400_00400 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0400_00401 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0400_00402 20,47,51,64,94,96,107,134,153,207,272,292,303,372,383,389,398,407,479,487,503,508,516,521,550,603,626,654,662,714,727,739,762,778,786,797,812,827,893,896,927,948,960,968,989 +0400_00403 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +0400_00404 20,28,83,94,96,107,134,153,207,244,248,272,366,370,372,383,389,472,479,487,503,508,516,522,550,603,624,626,631,654,657,662,684,686,714,727,739,762,778,786,797,802,812,881,893,896,948,968,978 +0400_00405 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0400_00406 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0400_00407 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0400_00408 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0400_00409 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0400_00410 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0400_00411 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0400_00412 134,138,180,242,417,453,505,508,550,620,626,637,640,657,676,733,771,792,947,950,968,989 +0400_00413 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0400_00414 15,54,95,96,134,150,192,205,223,245,274,392,400,452,461,487,498,508,534,544,550,566,568,670,748,758,791,964,968,975,1001 +0400_00415 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0400_00416 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0400_00417 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0400_00418 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0400_00419 20,23,62,134,151,153,211,219,229,245,328,347,353,389,396,430,442,473,508,515,544,592,626,640,648,727,752,879,897,948,968,994,1011 +0400_00420 20,153,171,185,257,343,347,361,505,508,544,640,663,727,800,948,967,994 +0400_00421 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0400_00422 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0400_00423 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0400_00424 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0400_00425 20,28,63,66,92,94,96,134,136,145,207,415,421,487,498,508,522,536,550,575,626,671,676,727,841,909,968 +0400_00426 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0400_00427 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0400_00428 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0400_00429 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0400_00430 15,20,89,108,134,144,151,153,154,160,171,190,207,230,240,254,263,291,347,365,433,434,445,460,461,474,481,492,505,508,510,516,540,544,663,687,714,727,741,761,762,767,781,802,807,878,896,914,948,958,960,968,994,1012 +0400_00431 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0400_00432 58,72,134,154,225,550,607,620,626,640,676,712,733,779,825,837,850,946,947,968 +0400_00433 60,85,87,89,95,143,153,201,207,260,262,300,311,323,326,347,351,359,375,390,402,410,433,442,461,518,523,538,562,576,626,643,668,689,701,719,743,775,802,876,918,936,974,996 +0400_00434 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0400_00435 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0400_00436 1,20,43,89,153,189,191,200,265,325,347,442,461,467,486,493,499,508,517,544,549,555,628,662,727,762,800,825,855,886,906,917,929,945,948,974,982,989,1002 +0400_00437 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0400_00438 18,20,26,37,67,69,73,80,89,96,97,110,129,134,144,153,173,188,190,196,245,254,260,296,339,343,347,381,393,406,410,439,487,505,508,516,524,525,549,550,612,641,655,658,666,670,677,680,723,727,762,773,778,792,812,825,844,846,847,886,948,955,967,968,972,980,982,985,1006 +0400_00439 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0400_00440 20,128,153,184,207,270,320,323,347,367,404,408,436,505,508,544,599,663,681,706,727,748,757,802,863,921,948,994 +0400_00441 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0400_00442 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0400_00443 20,53,61,62,73,89,92,96,105,114,123,130,134,138,144,145,151,153,168,206,220,236,242,243,254,255,270,300,301,347,349,380,391,417,421,430,432,433,453,455,487,506,508,515,526,544,549,550,562,566,583,587,588,590,637,638,657,662,670,674,709,718,726,727,746,749,750,781,840,844,858,863,874,879,931,948,968,989 +0400_00444 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0400_00445 20,139,153,343,347,455,475,505,508,530,544,640,663,727,948,991,994,1019 +0400_00446 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0400_00447 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0400_00448 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,700,727,733,748,755,778,781,826,827,833,918,919,948,994 +0400_00449 15,20,24,56,62,65,89,94,98,104,114,128,152,153,190,207,231,237,340,343,347,353,367,368,377,387,408,431,432,473,475,476,505,508,513,516,524,532,539,544,550,569,579,624,626,642,645,663,677,686,727,747,772,790,802,827,863,906,916,929,948,964,981,984,994 +0400_00450 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0400_00451 23,94,96,101,124,134,139,145,153,167,181,182,207,220,231,347,360,367,368,379,408,421,424,487,500,516,530,550,601,634,647,658,691,705,709,742,748,802,812,839,927,948,968,979,998 +0400_00452 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0400_00453 9,11,15,34,67,88,89,91,96,111,113,134,144,145,153,175,195,210,214,218,236,237,328,372,373,410,411,421,454,473,487,524,550,619,626,678,767,772,784,785,788,843,908,954,968,994,999,1005 +0400_00454 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0400_00455 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0400_00456 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0400_00457 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0400_00458 20,56,62,69,94,105,107,112,128,129,141,153,207,217,231,242,257,270,274,279,283,334,342,354,363,365,366,474,480,481,494,508,516,530,556,583,626,674,680,692,727,736,739,755,757,776,778,786,789,812,824,826,829,871,915,917,923,927,947,948,994 +0400_00459 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0400_00460 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0400_00461 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0400_00462 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0400_00463 4,41,60,75,81,96,112,134,181,222,252,278,304,347,408,434,487,508,514,549,550,627,648,669,705,778,850,881,919,948,968,980,983 +0400_00464 15,20,25,26,72,85,89,95,102,134,141,148,153,155,205,211,212,222,233,245,255,305,315,326,351,357,358,394,399,408,413,469,499,508,513,517,527,566,603,610,626,701,704,727,744,755,766,768,772,774,783,801,819,822,836,847,855,898,926,936,948,968,988,1009,1011,1019,1022 +0400_00465 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0400_00466 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0400_00467 20,93,96,134,145,151,153,167,207,212,238,247,275,319,347,387,395,397,405,421,487,505,508,524,544,548,550,571,590,601,647,663,688,704,727,741,771,802,808,870,878,906,919,925,948,968,994 +0400_00468 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0400_00469 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0400_00470 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0400_00471 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0400_00472 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0400_00473 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0400_00474 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0400_00475 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0400_00476 15,20,25,26,49,72,85,87,89,97,119,134,141,148,153,211,222,233,245,255,258,280,285,315,326,351,357,371,393,399,413,467,469,499,506,508,513,517,557,560,566,580,603,610,626,704,727,736,755,766,768,772,774,819,821,822,836,866,898,936,948,950,964,968,977,1009,1019,1022 +0400_00477 15,20,25,26,36,72,85,89,102,129,134,141,146,148,153,182,205,211,222,233,245,255,305,315,347,350,351,357,358,372,399,408,413,421,469,499,508,513,517,523,527,544,566,603,610,626,681,704,727,730,746,755,762,766,768,772,774,782,790,801,810,819,822,836,852,855,862,886,936,948,968,975,989,1009,1019,1022 +0400_00478 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +0400_00479 17,20,21,44,51,96,130,134,155,164,220,347,360,367,370,447,476,487,508,515,520,550,569,576,616,671,689,705,725,727,739,744,762,828,886,946,948,968,993 +0400_00480 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 diff --git a/processed_data/0400/0400_fingerprints_maccs_canonical_success.tsv b/processed_data/0400/0400_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..788d5e12e --- /dev/null +++ b/processed_data/0400/0400_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,481 @@ +id bits.on +0400_00001 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0400_00002 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00003 53,80,82,84,86,90,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00004 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00005 53,80,82,84,86,90,91,92,100,104,108,110,111,116,117,118,128,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0400_00006 53,80,82,84,90,100,104,111,118,131,138,142,147,151,153,155,158,161 +0400_00007 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +0400_00008 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0400_00009 82,84,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00010 65,75,77,79,80,82,83,84,85,93,96,100,104,108,111,116,120,121,122,137,142,144,147,148,150,151,153,155,156,158,160,161,162,165 +0400_00011 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0400_00012 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0400_00013 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00014 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00015 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0400_00016 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00017 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0400_00018 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0400_00019 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00020 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0400_00021 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00022 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00024 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00025 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0400_00026 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00027 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0400_00028 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00029 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0400_00030 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00031 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00032 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0400_00033 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0400_00034 14,54,67,84,88,90,95,104,111,123,124,129,131,136,138,139,140,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00035 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00036 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00037 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25,38,43,65,77,79,80,84,92,95,97,98,105,106,110,113,117,120,121,125,127,131,133,135,137,142,143,145,151,154,156,158,161,162,163,164,165 +0400_00214 54,65,80,82,92,95,97,98,100,104,110,117,121,123,131,132,136,137,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00215 53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165 +0400_00216 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00217 54,92,95,110,117,123,131,136,139,146,149,151,154,156,157,158,159,160,161,164 +0400_00218 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,84,88,97,102,106,112,124,130,131,133,135,136,139,144,146,148,150,151,156,158,159,161,162,163,164,165 +0400_00219 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54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0400_00235 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0400_00236 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0400_00237 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0400_00238 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00239 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00240 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0400_00241 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00242 65,92,98,110,113,117,121,127,137,143,151,154,156,161,162,163,164,165 +0400_00243 53,54,72,89,113,127,131,139,143,144,146,150,152,157,159,162,163,164,165 +0400_00244 82,90,91,92,100,104,108,110,111,116,117,118,123,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00245 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0400_00246 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0400_00247 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0400_00248 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0400_00249 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0400_00250 54,65,83,84,90,91,95,96,104,105,111,113,121,123,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00251 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0400_00252 82,84,100,151,153,155,158,161,162,163,165 +0400_00253 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0400_00254 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0400_00255 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00256 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0400_00257 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0400_00258 57,65,75,77,79,83,85,93,96,108,109,111,114,116,120,121,122,123,127,128,129,137,142,143,144,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0400_00259 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00260 37,38,43,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00261 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0400_00262 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00263 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00264 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00265 90,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0400_00266 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00267 38,54,57,62,65,72,75,77,79,80,83,84,85,89,92,95,96,97,98,105,110,117,120,121,122,127,131,133,135,137,139,142,143,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0400_00268 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00269 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00270 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0400_00271 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00272 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00273 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00274 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00275 54,82,90,92,95,100,104,110,111,114,115,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00276 57,72,82,83,96,109,123,131,132,137,139,140,146,152,153,154,155,157,159,162,164,165 +0400_00277 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0400_00278 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0400_00279 24,49,54,56,63,70,71,84,89,90,94,95,102,104,111,113,119,122,123,124,127,130,131,133,135,136,139,140,142,143,144,146,148,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00280 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0400_00281 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00282 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00283 24,49,54,56,63,70,71,84,90,94,95,102,104,111,119,122,123,124,130,131,133,135,136,139,140,142,146,148,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00284 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0400_00285 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0400_00286 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0400_00287 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00288 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00289 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00290 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00291 82,86,93,100,104,111,115,116,147,151,153,155,158,160,161,162,163,165 +0400_00292 74,85,86,93,100,111,115,116,122,147,148,149,153,155,158,160,161,162,163,165 +0400_00293 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0400_00294 99,104,123,129,131,132,136,139,140,146,154,155,157,159,164 +0400_00295 53,84,89,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00296 57,72,89,98,113,127,137,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00297 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0400_00298 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00299 37,38,43,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00300 43,54,72,89,92,95,110,117,123,131,136,139,140,146,151,154,156,157,158,159,161,162,163,164,165 +0400_00301 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00302 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00303 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00304 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0400_00305 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0400_00306 113,127,131,139,143,152,157,159,162,163,164,165 +0400_00307 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00308 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0400_00309 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00310 54,72,90,104,113,123,127,131,132,139,140,143,146,152,154,155,157,159,162,163,164,165 +0400_00311 104,123,132,139,154,155,157,159,162,163,164,165 +0400_00312 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0400_00313 54,66,72,90,104,112,114,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0400_00314 54,90,92,95,104,108,110,111,113,117,123,127,131,136,139,140,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00315 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0400_00316 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00317 50,54,76,82,92,95,99,100,104,108,110,117,123,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00318 54,72,113,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00319 65,83,90,91,96,104,105,113,121,123,127,131,132,137,139,143,146,151,152,154,155,156,157,159,161,162,163,164,165 +0400_00320 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00321 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0400_00322 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0400_00323 54,82,90,92,95,100,104,108,110,114,115,117,123,128,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00324 53,54,57,65,72,83,89,95,96,97,98,105,113,120,121,123,126,127,131,137,139,140,143,145,146,150,151,152,154,156,157,159,161,162,163,164,165 +0400_00325 54,86,88,90,91,92,93,95,104,108,110,111,115,116,117,123,131,136,139,146,147,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00326 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00327 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0400_00328 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00329 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00330 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00331 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0400_00332 24,53,68,69,71,72,89,92,94,97,102,110,113,117,124,127,131,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00333 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0400_00334 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00335 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00336 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00337 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89,90,104,108,115,123,129,132,136,139,140,146,147,152,154,155,157,159,160,164 +0400_00354 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0400_00355 57,83,96,108,114,116,123,127,128,129,132,137,143,147,152,154,155,157,159,160,164,165 +0400_00356 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00357 65,77,79,83,96,105,120,121,137,142,144,149,150,151,156,160,161,162,163,165 +0400_00358 54,82,90,91,92,95,100,104,110,111,117,118,123,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00359 53,54,66,72,74,89,90,104,112,116,123,131,132,136,139,140,146,149,152,154,155,157,159,160,164 +0400_00360 57,83,89,96,123,137,139,146,154,157,159,162,164,165 +0400_00361 65,82,85,86,89,92,97,98,100,109,110,114,116,117,121,122,125,128,137,138,139,142,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00362 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00363 84,92,104,110,111,117,132,151,154,155,156,158,161,162,163,164,165 +0400_00364 66,83,89,90,91,92,96,104,110,111,112,114,115,116,117,121,127,132,136,137,143,149,150,151,154,155,156,158,159,160,161,164,165 +0400_00365 113,127,139,143,152,154,157,159,162,163,164,165 +0400_00366 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +0400_00367 72,93,104,113,123,126,127,131,132,139,140,143,144,146,150,152,154,155,157,159,160,162,163,164,165 +0400_00368 38,47,59,64,65,77,79,80,81,83,88,93,96,98,105,120,121,137,142,151,156,160,161,162,163,165 +0400_00369 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0400_00370 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0400_00371 90,91,104,115,116,123,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0400_00372 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00373 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00374 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00375 66,84,91,101,104,105,111,112,128,133,145,151,156,158,161,163,165 +0400_00376 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0400_00377 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00378 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53,84,97,123,131,133,135,139,144,150,151,154,156,157,158,159,161,162,163,164,165 +0400_00388 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0400_00389 54,72,90,104,123,131,132,139,146,152,154,155,157,159,162,163,164,165 +0400_00390 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00391 83,90,92,96,104,105,110,111,117,121,127,132,135,137,143,144,151,154,156,158,161,162,163,164,165 +0400_00392 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00393 113,123,127,131,139,143,146,152,154,157,159,160,162,163,164,165 +0400_00394 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0400_00395 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00396 37,43,54,77,79,83,90,91,96,104,106,108,110,111,116,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,150,151,154,155,156,157,158,159,160,161,164,165 +0400_00397 54,74,90,92,95,104,108,110,111,115,117,123,131,136,139,141,146,149,151,154,155,156,157,158,159,160,161,164 +0400_00398 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0400_00399 54,72,74,90,104,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0400_00400 38,50,54,65,74,76,77,79,80,82,83,91,96,98,99,100,105,116,120,121,131,133,135,137,142,149,151,153,155,156,158,160,161,162,163,165 +0400_00401 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00402 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00403 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53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0400_00412 24,49,56,63,70,71,94,102,113,119,122,124,127,130,133,135,139,143,146,148,152,156,157,158,159,161,162,163,164,165 +0400_00413 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00414 57,98,105,113,123,125,127,137,143,145,152,154,159,162,163,164,165 +0400_00415 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0400_00416 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0400_00417 1,65,83,90,91,96,104,105,121,123,131,132,137,139,144,150,151,154,155,156,157,159,161,162,163,164,165 +0400_00418 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0400_00419 53,54,72,89,109,113,114,115,123,126,127,131,132,139,140,143,144,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0400_00420 89,108,109,114,123,126,129,132,136,138,140,146,149,153,154,155,157,159,160,164 +0400_00421 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00422 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0400_00423 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0400_00424 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00425 17,123,139,154,157,159,162,163,164,165 +0400_00426 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00427 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0400_00428 66,84,91,101,104,105,108,111,112,115,128,133,145,149,151,156,158,160,161,163,165 +0400_00429 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0400_00430 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00431 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0400_00432 34,99,113,127,139,143,152,157,162,163,164,165 +0400_00433 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00434 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00435 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00436 57,72,89,98,109,116,123,126,127,132,136,137,140,141,143,146,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00437 37,38,43,53,65,77,79,80,89,92,95,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,144,145,149,150,151,154,156,159,160,161,162,163,164,165 +0400_00438 19,36,59,62,72,74,75,79,81,85,86,88,92,93,95,100,105,110,111,113,115,116,117,120,121,122,123,125,126,127,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00439 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00440 72,89,108,109,114,123,126,136,138,140,141,146,149,152,153,154,155,157,159,160,164 +0400_00441 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00442 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0400_00443 24,45,49,50,56,62,63,70,71,76,85,86,93,94,95,97,98,99,100,102,109,111,115,116,119,121,122,123,124,125,126,129,130,132,133,135,136,137,138,140,141,142,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00444 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0400_00445 108,109,114,123,126,128,129,132,136,138,140,146,147,149,153,154,155,157,159,160,164 +0400_00446 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0400_00447 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0400_00448 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00449 75,79,83,85,90,91,92,95,96,104,105,108,109,110,111,114,115,117,118,121,122,123,126,128,129,131,136,137,139,140,141,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00450 65,83,96,105,121,137,151,156,161,162,163,165 +0400_00451 82,86,93,97,100,104,111,113,115,116,125,126,127,132,143,144,145,147,149,150,151,152,153,155,157,158,160,161,162,163,164,165 +0400_00452 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0400_00453 66,75,85,86,90,91,97,98,100,104,111,112,118,121,122,128,129,132,137,138,139,145,147,148,152,153,155,157,158,161,162,163,164,165 +0400_00454 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0400_00455 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0400_00456 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0400_00457 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00458 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00459 99,123,139,154,157,159,162,163,164,165 +0400_00460 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0400_00461 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00462 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0400_00463 93,99,113,126,127,143,144,150,152,154,157,159,160,162,163,164,165 +0400_00464 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00465 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0400_00466 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0400_00467 65,75,77,79,83,85,95,96,97,109,114,120,121,122,123,126,137,142,144,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00468 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0400_00469 36,59,64,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,128,129,135,137,138,142,144,145,147,148,149,150,153,155,156,158,160,161,162,163,165 +0400_00470 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 +0400_00471 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00472 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00473 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0400_00474 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0400_00475 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00476 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00477 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00478 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00479 105,113,123,125,126,127,136,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0400_00480 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0400/0400_fingerprints_maccs_isomeric_success.tsv b/processed_data/0400/0400_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..78198b548 --- /dev/null +++ b/processed_data/0400/0400_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,481 @@ +id bits.on +0400_00001 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0400_00002 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00003 53,80,82,84,86,90,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00004 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00005 53,80,82,84,86,90,91,92,100,104,108,110,111,116,117,118,128,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0400_00006 53,80,82,84,90,100,104,111,118,131,138,142,147,151,153,155,158,161 +0400_00007 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +0400_00008 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0400_00009 82,84,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0400_00010 65,75,77,79,80,82,83,84,85,93,96,100,104,108,111,116,120,121,122,137,142,144,147,148,150,151,153,155,156,158,160,161,162,165 +0400_00011 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0400_00012 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0400_00013 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00014 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00015 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0400_00016 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00017 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0400_00018 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0400_00019 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00020 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0400_00021 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00022 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00024 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00025 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0400_00026 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00027 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0400_00028 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00029 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0400_00030 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00031 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00032 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0400_00033 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0400_00034 14,54,67,84,88,90,95,104,111,123,124,129,131,136,138,139,140,142,146,151,153,154,155,156,157,158,159,161,164 +0400_00035 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00036 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00037 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00038 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0400_00039 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0400_00040 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0400_00041 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0400_00042 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0400_00043 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0400_00044 53,54,72,89,127,131,139,140,143,146,150,152,157,159,163,164,165 +0400_00045 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0400_00046 29,30,43,48,49,69,74,85,86,90,91,93,95,100,102,106,109,111,112,115,116,122,124,126,130,131,132,138,139,140,141,146,147,148,149,153,155,157,158,159,160,161,164 +0400_00047 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0400_00048 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0400_00049 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0400_00050 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0400_00051 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0400_00052 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0400_00053 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0400_00054 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00055 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00056 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0400_00057 1,30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,156,157,158,159,160,161,164 +0400_00058 49,65,75,80,84,85,92,93,97,98,110,117,121,122,137,142,148,151,154,156,158,160,161,162,163,164,165 +0400_00059 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0400_00060 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0400_00061 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0400_00062 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00063 29,36,38,43,47,48,49,65,69,75,77,80,81,83,84,85,88,90,91,96,98,100,102,106,108,109,112,116,120,121,122,124,126,128,130,131,132,133,135,137,138,139,140,142,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00064 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0400_00065 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0400_00066 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0400_00067 82,85,86,91,95,100,104,109,111,118,122,123,128,129,131,132,138,139,140,146,147,148,153,154,155,157,158,159,161,164 +0400_00068 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00069 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 +0400_00070 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00071 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39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0400_00079 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 +0400_00080 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0400_00081 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0400_00082 1,53,54,57,72,82,89,90,91,98,109,112,123,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00083 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0400_00084 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0400_00085 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0400_00086 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54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0400_00104 54,72,82,84,95,100,104,113,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,161,162,163,164,165 +0400_00105 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00106 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0400_00107 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0400_00108 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00109 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0400_00110 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0400_00111 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0400_00112 54,66,74,84,95,112,123,131,139,149,151,154,156,157,158,159,160,161,164 +0400_00113 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0400_00114 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00115 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0400_00116 84,113,127,131,133,135,139,143,151,152,156,157,158,161,162,163,164,165 +0400_00117 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0400_00118 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0400_00119 53,82,84,90,97,100,115,123,131,139,151,153,154,155,157,158,159,160,161,164 +0400_00120 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0400_00121 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0400_00122 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0400_00123 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00124 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0400_00125 43,47,73,77,81,84,88,106,131,142,151,156,158,161 +0400_00126 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0400_00127 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0400_00128 65,82,89,91,95,97,98,109,113,121,127,131,137,139,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0400_00129 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0400_00130 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00131 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0400_00132 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00133 37,38,43,53,54,77,79,80,83,84,89,92,95,96,97,106,110,117,120,121,127,131,133,136,137,142,143,146,150,151,154,156,158,159,161,164,165 +0400_00134 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00135 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00136 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00137 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 +0400_00138 53,54,57,72,82,89,90,91,98,104,109,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00139 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00140 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0400_00141 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0400_00142 36,81,83,84,88,90,91,95,96,104,111,127,133,137,143,147,150,151,153,154,156,158,161,164,165 +0400_00143 65,98,121,123,137,139,154,157,159,161,162,163,164,165 +0400_00144 93,113,126,127,143,152,154,157,159,160,162,163,164,165 +0400_00145 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00146 54,82,84,95,100,104,113,127,131,132,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0400_00147 29,48,49,54,57,62,65,69,72,75,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00148 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0400_00149 53,54,82,84,88,90,91,95,104,111,123,131,139,147,151,153,154,155,156,157,158,159,161,164 +0400_00150 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00151 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0400_00152 54,72,82,86,93,95,100,104,113,115,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00153 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,144,150,151,154,156,158,160,161,162,163,164,165 +0400_00154 29,37,38,48,57,62,65,69,72,75,77,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00155 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00156 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0400_00157 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0400_00158 37,43,53,54,77,80,89,90,91,92,95,97,98,104,106,110,111,117,120,121,123,127,131,132,136,137,139,140,142,143,146,151,154,156,157,158,159,161,163,164,165 +0400_00159 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0400_00160 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,113,124,127,130,131,136,139,140,143,146,148,152,157,159,162,163,164,165 +0400_00161 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0400_00162 37,38,53,54,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00163 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00164 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0400_00165 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0400_00166 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0400_00167 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 +0400_00168 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0400_00169 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 +0400_00170 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00171 37,43,53,77,80,82,89,90,91,92,97,98,100,104,106,110,111,117,120,121,127,131,132,136,137,142,143,147,151,153,154,156,158,159,161,163,164,165 +0400_00172 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0400_00173 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0400_00174 54,84,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00175 1,54,81,84,86,88,90,91,93,95,104,111,112,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00176 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0400_00177 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00178 54,72,84,90,91,95,104,111,113,123,127,131,139,140,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00179 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00180 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00181 53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00182 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0400_00183 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00184 54,72,82,84,91,100,104,111,113,127,131,139,143,144,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0400_00185 54,84,90,91,95,97,104,109,111,118,123,126,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0400_00186 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0400_00187 65,80,84,92,97,98,110,117,121,137,142,151,154,156,158,161,162,163,164,165 +0400_00188 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00189 54,84,95,113,127,131,133,135,139,143,144,150,151,152,156,157,158,161,162,163,164,165 +0400_00190 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0400_00191 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0400_00192 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0400_00193 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00194 53,54,84,89,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00195 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0400_00196 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0400_00197 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0400_00198 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0400_00199 54,79,82,84,90,91,92,95,100,104,110,111,114,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 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29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 +0400_00207 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0400_00208 54,82,92,95,100,104,108,110,111,114,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0400_00209 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 +0400_00210 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,95,96,97,98,104,105,110,111,117,120,121,122,123,127,129,131,132,133,135,137,138,139,140,142,143,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00211 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0400_00212 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00213 25,38,43,65,77,79,80,84,92,95,97,98,105,106,110,113,117,120,121,125,127,131,133,135,137,142,143,145,151,154,156,158,161,162,163,164,165 +0400_00214 54,65,80,82,92,95,97,98,100,104,110,117,121,123,131,132,136,137,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00215 53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165 +0400_00216 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00217 54,92,95,110,117,123,131,136,139,146,149,151,154,156,157,158,159,160,161,164 +0400_00218 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,84,88,97,102,106,112,124,130,131,133,135,136,139,144,146,148,150,151,156,158,159,161,162,163,164,165 +0400_00219 82,86,93,100,104,111,113,115,116,127,131,139,143,147,151,152,153,155,157,158,160,161,162,163,164,165 +0400_00220 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0400_00221 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0400_00222 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0400_00223 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0400_00224 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00225 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0400_00226 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00227 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0400_00228 53,89,123,131,136,139,140,146,154,157,159,160,164 +0400_00229 37,43,53,77,80,82,89,90,92,97,98,100,106,110,115,117,120,121,127,131,136,137,142,143,150,151,153,154,156,158,159,160,161,163,164,165 +0400_00230 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00231 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00232 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,144,150,151,154,156,159,160,161,162,163,164,165 +0400_00233 1,54,74,84,90,95,104,111,112,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0400_00234 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0400_00235 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0400_00236 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0400_00237 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0400_00238 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00239 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00240 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0400_00241 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00242 65,92,98,110,113,117,121,127,137,143,151,154,156,161,162,163,164,165 +0400_00243 53,54,72,89,113,127,131,139,143,144,146,150,152,157,159,162,163,164,165 +0400_00244 82,90,91,92,100,104,108,110,111,116,117,118,123,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00245 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0400_00246 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0400_00247 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0400_00248 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0400_00249 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0400_00250 54,65,83,84,90,91,95,96,104,105,111,113,121,123,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00251 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0400_00252 82,84,100,151,153,155,158,161,162,163,165 +0400_00253 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0400_00254 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0400_00255 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00256 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0400_00257 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0400_00258 57,65,75,77,79,83,85,93,96,108,109,111,114,116,120,121,122,123,127,128,129,137,142,143,144,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0400_00259 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00260 37,38,43,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00261 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0400_00262 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00263 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00264 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00265 90,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0400_00266 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00267 38,54,57,62,65,72,75,77,79,80,83,84,85,89,92,95,96,97,98,105,110,117,120,121,122,127,131,133,135,137,139,142,143,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0400_00268 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00269 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00270 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0400_00271 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00272 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00273 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00274 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00275 54,82,90,92,95,100,104,110,111,114,115,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00276 57,72,82,83,96,109,123,131,132,137,139,140,146,152,153,154,155,157,159,162,164,165 +0400_00277 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0400_00278 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0400_00279 24,49,54,56,63,70,71,84,89,90,94,95,102,104,111,113,119,122,123,124,127,130,131,133,135,136,139,140,142,143,144,146,148,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0400_00280 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0400_00281 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00282 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00283 24,49,54,56,63,70,71,84,90,94,95,102,104,111,119,122,123,124,130,131,133,135,136,139,140,142,146,148,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00284 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0400_00285 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0400_00286 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0400_00287 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00288 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00289 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00290 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0400_00291 82,86,93,100,104,111,115,116,147,151,153,155,158,160,161,162,163,165 +0400_00292 74,85,86,93,100,111,115,116,122,147,148,149,153,155,158,160,161,162,163,165 +0400_00293 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0400_00294 99,104,123,129,131,132,136,139,140,146,154,155,157,159,164 +0400_00295 53,84,89,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00296 57,72,89,98,113,127,137,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00297 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0400_00298 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00299 37,38,43,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00300 43,54,72,89,92,95,110,117,123,131,136,139,140,146,151,154,156,157,158,159,161,162,163,164,165 +0400_00301 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00302 1,54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,144,150,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00303 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00304 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0400_00305 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0400_00306 113,127,131,139,143,152,157,159,162,163,164,165 +0400_00307 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00308 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0400_00309 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00310 54,72,90,104,113,123,127,131,132,139,140,143,146,152,154,155,157,159,162,163,164,165 +0400_00311 104,123,132,139,154,155,157,159,162,163,164,165 +0400_00312 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0400_00313 54,66,72,90,104,112,114,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0400_00314 54,90,92,95,104,108,110,111,113,117,123,127,131,136,139,140,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00315 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0400_00316 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00317 50,54,76,82,92,95,99,100,104,108,110,117,123,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00318 54,72,113,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00319 65,83,90,91,96,104,105,113,121,123,127,131,132,137,139,143,146,151,152,154,155,156,157,159,161,162,163,164,165 +0400_00320 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00321 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0400_00322 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0400_00323 54,82,90,92,95,100,104,108,110,114,115,117,123,128,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00324 53,54,57,65,72,83,89,95,96,97,98,105,113,120,121,123,126,127,131,137,139,140,143,145,146,150,151,152,154,156,157,159,161,162,163,164,165 +0400_00325 54,86,88,90,91,92,93,95,104,108,110,111,115,116,117,123,131,136,139,146,147,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00326 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0400_00327 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0400_00328 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00329 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00330 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00331 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0400_00332 24,53,68,69,71,72,89,92,94,97,102,110,113,117,124,127,131,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0400_00333 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0400_00334 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0400_00335 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0400_00336 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00337 65,66,74,85,86,93,95,98,100,108,109,111,112,115,116,121,122,125,126,132,137,138,141,142,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0400_00338 54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0400_00339 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0400_00340 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0400_00341 19,75,82,83,85,89,93,96,97,98,105,108,109,111,116,121,122,123,126,127,128,129,132,137,139,143,145,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00342 1,54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00343 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00344 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00345 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0400_00346 104,113,123,127,131,132,139,143,146,152,154,155,157,159,162,163,164,165 +0400_00347 65,93,97,98,121,123,126,137,154,157,159,160,161,162,163,164,165 +0400_00348 123,136,139,144,146,150,154,157,159,162,163,164,165 +0400_00349 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0400_00350 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0400_00351 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00352 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0400_00353 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53,84,97,123,131,133,135,139,144,150,151,154,156,157,158,159,161,162,163,164,165 +0400_00388 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0400_00389 54,72,90,104,123,131,132,139,146,152,154,155,157,159,162,163,164,165 +0400_00390 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00391 83,90,92,96,104,105,110,111,117,121,127,132,135,137,143,144,151,154,156,158,161,162,163,164,165 +0400_00392 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00393 113,123,127,131,139,143,146,152,154,157,159,160,162,163,164,165 +0400_00394 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0400_00395 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00396 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53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0400_00412 24,49,56,63,70,71,94,102,113,119,122,124,127,130,133,135,139,143,146,148,152,156,157,158,159,161,162,163,164,165 +0400_00413 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0400_00414 57,98,105,113,123,125,127,137,143,145,152,154,159,162,163,164,165 +0400_00415 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0400_00416 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0400_00417 1,65,83,90,91,96,104,105,121,123,131,132,137,139,144,150,151,154,155,156,157,159,161,162,163,164,165 +0400_00418 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0400_00419 53,54,72,89,109,113,114,115,123,126,127,131,132,139,140,143,144,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0400_00420 89,108,109,114,123,126,129,132,136,138,140,146,149,153,154,155,157,159,160,164 +0400_00421 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0400_00422 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0400_00423 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0400_00424 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0400_00425 17,123,139,154,157,159,162,163,164,165 +0400_00426 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00427 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0400_00428 66,84,91,101,104,105,108,111,112,115,128,133,145,149,151,156,158,160,161,163,165 +0400_00429 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0400_00430 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00431 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0400_00432 34,99,113,127,139,143,152,157,162,163,164,165 +0400_00433 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0400_00434 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00435 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00436 57,72,89,98,109,116,123,126,127,132,136,137,140,141,143,146,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00437 37,38,43,53,65,77,79,80,89,92,95,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,144,145,149,150,151,154,156,159,160,161,162,163,164,165 +0400_00438 19,36,59,62,72,74,75,79,81,85,86,88,92,93,95,100,105,110,111,113,115,116,117,120,121,122,123,125,126,127,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00439 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0400_00440 72,89,108,109,114,123,126,136,138,140,141,146,149,152,153,154,155,157,159,160,164 +0400_00441 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00442 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0400_00443 24,45,49,50,56,62,63,70,71,76,85,86,93,94,95,97,98,99,100,102,109,111,115,116,119,121,122,123,124,125,126,129,130,132,133,135,136,137,138,140,141,142,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00444 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0400_00445 108,109,114,123,126,128,129,132,136,138,140,146,147,149,153,154,155,157,159,160,164 +0400_00446 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0400_00447 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0400_00448 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00449 75,79,83,85,90,91,92,95,96,104,105,108,109,110,111,114,115,117,118,121,122,123,126,128,129,131,136,137,139,140,141,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,163,164,165 +0400_00450 65,83,96,105,121,137,151,156,161,162,163,165 +0400_00451 82,86,93,97,100,104,111,113,115,116,125,126,127,132,143,144,145,147,149,150,151,152,153,155,157,158,160,161,162,163,164,165 +0400_00452 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0400_00453 66,75,85,86,90,91,97,98,100,104,111,112,118,121,122,128,129,132,137,138,139,145,147,148,152,153,155,157,158,161,162,163,164,165 +0400_00454 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0400_00455 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0400_00456 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0400_00457 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00458 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00459 99,123,139,154,157,159,162,163,164,165 +0400_00460 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0400_00461 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0400_00462 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0400_00463 93,99,113,126,127,143,144,150,152,154,157,159,160,162,163,164,165 +0400_00464 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00465 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0400_00466 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0400_00467 65,75,77,79,83,85,95,96,97,109,114,120,121,122,123,126,137,142,144,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0400_00468 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0400_00469 36,59,64,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,128,129,135,137,138,142,144,145,147,148,149,150,153,155,156,158,160,161,162,163,165 +0400_00470 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 +0400_00471 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0400_00472 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0400_00473 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0400_00474 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0400_00475 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0400_00476 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00477 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00478 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0400_00479 105,113,123,125,126,127,136,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0400_00480 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0400/0400_fingerprints_pubchem_canonical_success.tsv b/processed_data/0400/0400_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..3fcf83748 --- /dev/null +++ b/processed_data/0400/0400_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,481 @@ +id bits.on +0400_00001 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0400_00002 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0400_00003 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,594,614,644,657 +0400_00004 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0400_00005 10,11,12,15,16,17,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,594,614,644,646,647,657 +0400_00006 10,15,16,284,285,286,300,333,345,346,352,366,394,529,594,644 +0400_00007 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0400_00008 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0400_00009 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,583,593,644,684 +0400_00010 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,375,376,377,380,388,390,391,392,394,397,398,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0400_00011 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0400_00012 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0400_00013 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00014 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00015 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0400_00016 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00017 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0400_00018 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0400_00019 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0400_00020 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0400_00021 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00022 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00024 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00025 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0400_00026 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0400_00027 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0400_00028 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0400_00029 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0400_00030 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0400_00031 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00032 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0400_00033 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0400_00034 10,11,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00035 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00036 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0400_00037 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0400_00038 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0400_00039 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0400_00040 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0400_00041 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0400_00042 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00043 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0400_00044 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0400_00045 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0400_00046 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0400_00047 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0400_00048 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00049 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0400_00050 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0400_00051 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00052 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0400_00053 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0400_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0400_00055 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0400_00056 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0400_00057 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0400_00058 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,394,397,398,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00059 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0400_00060 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0400_00061 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0400_00062 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0400_00063 10,11,12,15,16,17,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,341,345,346,347,352,353,354,356,357,358,359,360,366,367,369,371,373,374,375,376,377,379,380,384,385,388,390,391,392,394,397,398,404,408,412,413,417,419,422,426,431,432,436,438,439,442,443,446,447,448,450,451,454,457,465,473,474,475,476,481,483,485,488,490,491,492,496,501,505,507,508,509,520,522,524,525,531,532,534,539,540,541,546,550,556,557,561,571,573,577,583,586,587,593,594,597,600,602,614,622,629,635,637,638,642,655,656,657,658,661,666,669,675,679,681,683 +0400_00064 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0400_00065 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0400_00066 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0400_00067 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0400_00068 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0400_00069 10,15,19,284,286,302,366,375,391,392,396,541 +0400_00070 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00071 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0400_00072 10,11,15,19,20,284,285,286,287,300,309,333,342,345,346,352,353,366,381,394,407,421,433,441,444,453,529,536,537,580,583,593,618,638,681,684,685,687,688,692,696 +0400_00073 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +0400_00074 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0400_00075 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0400_00076 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00077 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0400_00078 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0400_00079 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +0400_00080 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00081 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0400_00082 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00083 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0400_00084 10,11,15,19,20,116,117,284,285,286,287,300,309,333,334,337,341,345,352,353,381,394,407,421,441,444,453,536,537,567,580,618,638,644 +0400_00085 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00086 10,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,582,618,640,643 +0400_00087 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00088 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00089 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0400_00090 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00091 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0400_00092 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0400_00093 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00094 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0400_00095 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0400_00096 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0400_00097 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0400_00098 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00099 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00100 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0400_00101 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0400_00102 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00103 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00104 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0400_00105 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,465,471,491,499,517,521,525,529,536,537,542,543,549,550,553,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,704,705,709,710,711,715,778 +0400_00106 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0400_00107 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0400_00108 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00109 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0400_00110 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0400_00111 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0400_00112 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0400_00113 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00114 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00115 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0400_00116 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00117 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00118 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00119 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0400_00120 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0400_00121 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0400_00122 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0400_00123 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0400_00124 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00125 15,16,34,286,294,300,376,394,422,512 +0400_00126 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0400_00127 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00128 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0400_00129 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0400_00130 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00131 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0400_00132 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0400_00133 10,11,15,16,17,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,376,391,393,394,421,440,444,452,529,537,541,561,570,603,612,637,644,646,647,648,651,655 +0400_00134 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0400_00135 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00136 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00137 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0400_00138 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0400_00139 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0400_00140 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0400_00141 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0400_00142 10,11,15,19,34,144,147,284,285,286,287,294,300,333,339,341,345,346,350,352,353,354,366,369,394,413,421,444,508,529,536,537,580,587,644,659 +0400_00143 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0400_00144 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,619,620,624,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0400_00145 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0400_00146 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0400_00147 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,372,373,374,377,385,388,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,435,436,440,442,443,444,446,447,448,450,452,454,457,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,567,568,571,572,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,613,614,615,618,619,624,625,629,634,635,638,639,640,641,657,658,660,661,663,664,665,666,669,672,673,674,678,679,681,682,683,684,685,691,692,696,703,709,710 +0400_00148 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0400_00149 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00150 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0400_00151 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0400_00152 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,632,635,638,641,642,644,652,656,660,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,762,778,799,825 +0400_00153 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0400_00154 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00155 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00156 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0400_00157 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0400_00158 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0400_00159 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0400_00160 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,342,345,353,354,356,371,372,382,383,384,385,407,409,415,417,435,442,447,458,459,460,466,471,482,491,499,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,690,721,784 +0400_00161 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0400_00162 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00163 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00164 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00165 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0400_00166 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0400_00167 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0400_00168 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0400_00169 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0400_00170 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0400_00171 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,345,346,352,353,366,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0400_00172 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0400_00173 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0400_00174 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0400_00175 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0400_00176 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00177 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0400_00178 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0400_00179 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00180 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00181 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0400_00182 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0400_00183 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00184 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0400_00185 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0400_00186 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0400_00187 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00188 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00189 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,684,690,764,827 +0400_00190 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0400_00191 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0400_00192 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0400_00193 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0400_00194 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,544,546,547,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,757,764,801,820,827 +0400_00195 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00196 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00197 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00198 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00199 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0400_00200 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00201 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,465,471,491,499,521,525,529,541,542,543,545,549,550,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,629,632,634,635,638,641,642,644,652,656,657,661,664,665,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,704,709,710,711,713,715,736,756,762,778,799,819,825 +0400_00202 10,11,15,16,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,421,440,444,452,537,541,561,570,603,612,637,644,646,647,648,651,655 +0400_00203 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0400_00204 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00205 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0400_00206 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00207 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0400_00208 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,614,644,646,647,657,660 +0400_00209 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00210 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,421,432,438,439,441,442,443,444,448,450,451,453,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,537,539,541,546,548,550,556,561,567,568,570,572,573,580,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,655,657,658,659,660,663,664,675,681,683,684 +0400_00211 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0400_00212 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0400_00213 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0400_00214 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00215 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0400_00216 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00217 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0400_00218 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0400_00219 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00220 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0400_00221 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0400_00222 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00223 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00224 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0400_00225 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0400_00226 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00227 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00228 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0400_00229 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0400_00230 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00231 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0400_00232 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0400_00233 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0400_00234 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0400_00235 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0400_00236 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00237 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0400_00238 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00239 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00240 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0400_00241 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00242 10,11,15,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,377,382,385,388,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,644,646,647,657,658,661,665,666,669,672,673,678,679,684,685,696 +0400_00243 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0400_00244 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0400_00245 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00246 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00247 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0400_00248 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0400_00249 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0400_00250 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0400_00251 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0400_00252 10,11,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,394,417,431,435,442,447,465,471,491,517,521,525,529,550,553,557,565,571,579,583,585,593,596,600,604,608,609,619,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0400_00253 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00254 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0400_00255 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0400_00256 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0400_00257 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0400_00258 10,11,12,15,16,19,20,144,146,147,151,154,256,257,284,285,286,287,333,334,336,341,345,346,347,352,353,356,358,359,366,367,371,373,374,375,376,377,380,381,388,390,391,392,397,398,404,406,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,536,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,596,597,600,609,612,614,615,637,638,641,655,658,666,675,680,681,683,684,685,687,689,690,692,693,696,703,704,708,709,710,711,713 +0400_00259 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00260 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00261 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0400_00262 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00263 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0400_00264 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00265 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0400_00266 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0400_00267 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0400_00268 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00269 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00270 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0400_00271 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00272 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0400_00273 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00274 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0400_00275 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660 +0400_00276 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0400_00277 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0400_00278 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0400_00279 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0400_00280 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0400_00281 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00282 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00283 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0400_00284 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00285 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0400_00286 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0400_00287 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0400_00288 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0400_00289 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00290 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0400_00291 10,11,12,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0400_00292 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0400_00293 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0400_00294 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,600,618,642,661,679 +0400_00295 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0400_00296 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,693 +0400_00297 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0400_00298 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0400_00299 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00300 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00301 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00302 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00303 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00304 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0400_00305 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00306 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0400_00307 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0400_00308 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00309 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0400_00310 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00311 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0400_00312 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00313 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0400_00314 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00315 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0400_00316 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00317 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0400_00318 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0400_00319 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0400_00320 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0400_00321 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0400_00322 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0400_00323 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0400_00324 10,11,12,15,19,20,21,144,146,147,179,180,182,186,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,463,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,542,543,544,546,547,549,550,553,556,557,564,565,566,567,568,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,616,618,619,620,621,627,629,633,634,635,638,639,640,641,642,643,644,652,653,656,657,658,660,661,662,663,664,665,666,667,669,678,679,680,681,682,684,685,687,689,690,691,693,694,697,699,701,702,706,709,710,711,759,822 +0400_00325 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0400_00326 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00327 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0400_00328 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0400_00329 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00330 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0400_00331 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0400_00332 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0400_00333 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0400_00334 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0400_00335 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0400_00336 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0400_00337 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0400_00338 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0400_00339 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00340 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00341 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0400_00342 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00343 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0400_00344 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00345 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00346 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00347 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,367,371,372,373,374,375,377,381,385,388,391,397,404,406,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00348 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0400_00349 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00350 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0400_00351 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00352 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00353 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +0400_00354 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0400_00355 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +0400_00356 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00357 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00358 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0400_00359 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0400_00360 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0400_00361 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0400_00362 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0400_00363 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00364 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0400_00365 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0400_00366 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +0400_00367 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00368 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0400_00369 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00370 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00371 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0400_00372 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0400_00373 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0400_00374 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00375 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0400_00376 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00377 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00378 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0400_00379 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0400_00380 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0400_00381 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0400_00382 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0400_00383 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00384 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,705 +0400_00385 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0400_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0400_00387 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0400_00388 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0400_00389 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0400_00390 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0400_00391 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711,759,822 +0400_00392 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00393 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0400_00394 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0400_00395 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00396 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0400_00397 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0400_00398 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0400_00399 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0400_00400 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0400_00401 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00402 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00403 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0400_00404 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0400_00405 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00406 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0400_00407 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0400_00408 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0400_00409 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0400_00410 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0400_00411 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0400_00412 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00413 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0400_00414 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,627,633,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,694,695,697,699,705,706,707,709,710,711,757,820 +0400_00415 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00416 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0400_00417 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00418 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00419 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00420 10,11,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,582,589,615,640,643 +0400_00421 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0400_00422 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00423 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0400_00424 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0400_00425 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,418,421,428,431,435,441,442,444,447,453,461,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0400_00426 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0400_00427 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0400_00428 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0400_00429 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0400_00430 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0400_00431 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0400_00432 10,11,12,19,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,709,710,711,715,778 +0400_00433 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00434 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0400_00435 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0400_00436 10,11,12,13,19,20,21,22,179,182,284,285,287,333,340,342,345,347,348,353,367,368,375,381,406,421,441,444,453,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0400_00437 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00438 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0400_00439 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0400_00440 10,11,12,19,20,21,284,285,287,333,334,336,342,345,347,353,367,375,381,406,421,433,441,444,453,463,536,538,580,582,589,606,615,638,643,682,687,688,709 +0400_00441 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00442 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00443 10,11,12,13,15,16,19,20,21,179,180,184,185,186,187,193,256,258,284,285,286,287,300,302,333,334,336,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,541,546,547,550,553,554,557,559,565,567,571,574,579,580,583,585,593,595,596,600,601,604,608,609,614,615,616,619,620,629,634,635,638,641,644,657,660,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713,738,801 +0400_00444 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0400_00445 10,11,12,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,580,615,638,682,687,688 +0400_00446 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0400_00447 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00448 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0400_00449 10,11,12,13,15,16,19,20,21,144,146,147,179,180,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,366,367,375,381,391,392,393,394,406,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,615,616,618,638,644,646,647,657,660,680,681,684,685,689,690,692,693,696,697,699,703,704,705,708,709,710,711,822 +0400_00450 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0400_00451 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711,757,820 +0400_00452 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0400_00453 10,11,12,13,15,19,179,180,181,182,186,187,193,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,639,641,642,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0400_00454 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0400_00455 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00456 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0400_00457 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0400_00458 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0400_00459 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0400_00460 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0400_00461 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00462 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0400_00463 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,689,690,699,709,710,711,757,820 +0400_00464 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0400_00465 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00466 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0400_00467 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0400_00468 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0400_00469 10,11,12,13,15,16,34,35,179,180,181,182,184,185,186,187,193,200,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,369,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,630,634,635,641,657,658,659,661,665,666,669,678,679,680,684,689,725,747,768,788,810,831 +0400_00470 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00471 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0400_00472 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0400_00473 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0400_00474 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0400_00475 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0400_00476 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0400_00477 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0400_00478 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0400_00479 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0400_00480 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 diff --git a/processed_data/0400/0400_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0400/0400_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..4b1244d96 --- /dev/null +++ b/processed_data/0400/0400_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,481 @@ +id bits.on +0400_00001 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0400_00002 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0400_00003 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,594,614,644,657 +0400_00004 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0400_00005 10,11,12,15,16,17,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,594,614,644,646,647,657 +0400_00006 10,15,16,284,285,286,300,333,345,346,352,366,394,529,594,644 +0400_00007 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0400_00008 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0400_00009 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,583,593,644,684 +0400_00010 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,375,376,377,380,388,390,391,392,394,397,398,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0400_00011 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0400_00012 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0400_00013 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00014 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00015 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0400_00016 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00017 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0400_00018 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0400_00019 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0400_00020 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0400_00021 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00022 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00024 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0400_00025 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0400_00026 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0400_00027 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0400_00028 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0400_00029 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0400_00030 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0400_00031 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00032 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0400_00033 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0400_00034 10,11,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00035 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00036 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0400_00037 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0400_00038 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0400_00039 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0400_00040 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0400_00041 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0400_00042 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0400_00043 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0400_00044 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0400_00045 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0400_00046 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0400_00047 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0400_00048 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00049 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0400_00050 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0400_00051 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0400_00052 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0400_00053 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0400_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0400_00055 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0400_00056 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0400_00057 1,2,10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0400_00058 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,394,397,398,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00059 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0400_00060 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0400_00061 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0400_00062 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0400_00063 10,11,12,15,16,17,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,341,345,346,347,352,353,354,356,357,358,359,360,366,367,369,371,373,374,375,376,377,379,380,384,385,388,390,391,392,394,397,398,404,408,412,413,417,419,422,426,431,432,436,438,439,442,443,446,447,448,450,451,454,457,465,473,474,475,476,481,483,485,488,490,491,492,496,501,505,507,508,509,520,522,524,525,531,532,534,539,540,541,546,550,556,557,561,571,573,577,583,586,587,593,594,597,600,602,614,622,629,635,637,638,642,655,656,657,658,661,666,669,675,679,681,683 +0400_00064 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0400_00065 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0400_00066 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0400_00067 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0400_00068 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0400_00069 10,15,19,284,286,302,366,375,391,392,396,541 +0400_00070 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00071 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0400_00072 10,11,15,19,20,284,285,286,287,300,309,333,342,345,346,352,353,366,381,394,407,421,433,441,444,453,529,536,537,580,583,593,618,638,681,684,685,687,688,692,696 +0400_00073 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +0400_00074 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0400_00075 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0400_00076 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00077 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0400_00078 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0400_00079 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +0400_00080 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00081 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0400_00082 1,10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00083 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0400_00084 10,11,15,19,20,116,117,284,285,286,287,300,309,333,334,337,341,345,352,353,381,394,407,421,441,444,453,536,537,567,580,618,638,644 +0400_00085 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00086 10,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,582,618,640,643 +0400_00087 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00088 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00089 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0400_00090 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0400_00091 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0400_00092 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0400_00093 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0400_00094 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0400_00095 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0400_00096 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0400_00097 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0400_00098 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00099 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00100 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0400_00101 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0400_00102 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00103 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00104 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0400_00105 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,465,471,491,499,517,521,525,529,536,537,542,543,549,550,553,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,704,705,709,710,711,715,778 +0400_00106 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0400_00107 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0400_00108 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00109 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0400_00110 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0400_00111 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0400_00112 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0400_00113 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00114 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00115 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0400_00116 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00117 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00118 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00119 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0400_00120 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0400_00121 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0400_00122 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0400_00123 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0400_00124 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00125 15,16,34,286,294,300,376,394,422,512 +0400_00126 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0400_00127 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00128 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0400_00129 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0400_00130 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00131 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0400_00132 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0400_00133 10,11,15,16,17,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,376,391,393,394,421,440,444,452,529,537,541,561,570,603,612,637,644,646,647,648,651,655 +0400_00134 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0400_00135 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00136 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00137 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0400_00138 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0400_00139 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0400_00140 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0400_00141 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0400_00142 10,11,15,19,34,144,147,284,285,286,287,294,300,333,339,341,345,346,350,352,353,354,366,369,394,413,421,444,508,529,536,537,580,587,644,659 +0400_00143 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0400_00144 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,619,620,624,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0400_00145 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0400_00146 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0400_00147 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,372,373,374,377,385,388,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,435,436,440,442,443,444,446,447,448,450,452,454,457,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,567,568,571,572,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,613,614,615,618,619,624,625,629,634,635,638,639,640,641,657,658,660,661,663,664,665,666,669,672,673,674,678,679,681,682,683,684,685,691,692,696,703,709,710 +0400_00148 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0400_00149 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,580,618,638,644 +0400_00150 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0400_00151 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0400_00152 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,632,635,638,641,642,644,652,656,660,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,762,778,799,825 +0400_00153 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0400_00154 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00155 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00156 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0400_00157 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0400_00158 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0400_00159 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0400_00160 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,342,345,353,354,356,371,372,382,383,384,385,407,409,415,417,435,442,447,458,459,460,466,471,482,491,499,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,690,721,784 +0400_00161 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0400_00162 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00163 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00164 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00165 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0400_00166 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0400_00167 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0400_00168 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0400_00169 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0400_00170 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0400_00171 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,345,346,352,353,366,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0400_00172 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0400_00173 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0400_00174 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0400_00175 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0400_00176 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00177 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0400_00178 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0400_00179 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00180 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00181 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0400_00182 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0400_00183 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00184 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0400_00185 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0400_00186 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0400_00187 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00188 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00189 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,684,690,764,827 +0400_00190 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0400_00191 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0400_00192 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0400_00193 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0400_00194 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,544,546,547,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,757,764,801,820,827 +0400_00195 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00196 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00197 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0400_00198 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0400_00199 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0400_00200 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00201 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,465,471,491,499,521,525,529,541,542,543,545,549,550,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,629,632,634,635,638,641,642,644,652,656,657,661,664,665,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,704,709,710,711,713,715,736,756,762,778,799,819,825 +0400_00202 10,11,15,16,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,421,440,444,452,537,541,561,570,603,612,637,644,646,647,648,651,655 +0400_00203 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0400_00204 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00205 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0400_00206 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00207 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0400_00208 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,614,644,646,647,657,660 +0400_00209 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00210 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,421,432,438,439,441,442,443,444,448,450,451,453,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,537,539,541,546,548,550,556,561,567,568,570,572,573,580,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,655,657,658,659,660,663,664,675,681,683,684 +0400_00211 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0400_00212 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0400_00213 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0400_00214 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00215 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0400_00216 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00217 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0400_00218 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0400_00219 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00220 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0400_00221 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0400_00222 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0400_00223 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0400_00224 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0400_00225 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0400_00226 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00227 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00228 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0400_00229 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0400_00230 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00231 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0400_00232 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0400_00233 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0400_00234 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0400_00235 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0400_00236 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00237 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0400_00238 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0400_00239 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00240 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0400_00241 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00242 10,11,15,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,377,382,385,388,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,644,646,647,657,658,661,665,666,669,672,673,678,679,684,685,696 +0400_00243 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0400_00244 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0400_00245 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00246 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0400_00247 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0400_00248 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0400_00249 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0400_00250 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0400_00251 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0400_00252 10,11,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,394,417,431,435,442,447,465,471,491,517,521,525,529,550,553,557,565,571,579,583,585,593,596,600,604,608,609,619,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0400_00253 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00254 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0400_00255 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0400_00256 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0400_00257 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0400_00258 10,11,12,15,16,19,20,144,146,147,151,154,256,257,284,285,286,287,333,334,336,341,345,346,347,352,353,356,358,359,366,367,371,373,374,375,376,377,380,381,388,390,391,392,397,398,404,406,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,536,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,596,597,600,609,612,614,615,637,638,641,655,658,666,675,680,681,683,684,685,687,689,690,692,693,696,703,704,708,709,710,711,713 +0400_00259 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0400_00260 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00261 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0400_00262 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00263 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0400_00264 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00265 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0400_00266 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0400_00267 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0400_00268 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00269 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0400_00270 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0400_00271 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0400_00272 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0400_00273 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00274 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0400_00275 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660 +0400_00276 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0400_00277 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0400_00278 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0400_00279 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0400_00280 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0400_00281 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00282 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00283 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0400_00284 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00285 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0400_00286 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0400_00287 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0400_00288 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0400_00289 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00290 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0400_00291 10,11,12,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0400_00292 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0400_00293 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0400_00294 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,600,618,642,661,679 +0400_00295 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0400_00296 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,693 +0400_00297 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0400_00298 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0400_00299 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00300 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00301 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00302 1,10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00303 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00304 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0400_00305 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00306 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0400_00307 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0400_00308 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00309 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0400_00310 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00311 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0400_00312 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00313 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0400_00314 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00315 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0400_00316 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00317 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0400_00318 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0400_00319 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0400_00320 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0400_00321 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0400_00322 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0400_00323 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0400_00324 10,11,12,15,19,20,21,144,146,147,179,180,182,186,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,463,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,542,543,544,546,547,549,550,553,556,557,564,565,566,567,568,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,616,618,619,620,621,627,629,633,634,635,638,639,640,641,642,643,644,652,653,656,657,658,660,661,662,663,664,665,666,667,669,678,679,680,681,682,684,685,687,689,690,691,693,694,697,699,701,702,706,709,710,711,759,822 +0400_00325 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0400_00326 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00327 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0400_00328 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0400_00329 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00330 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0400_00331 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0400_00332 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0400_00333 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0400_00334 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0400_00335 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0400_00336 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0400_00337 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0400_00338 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0400_00339 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00340 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0400_00341 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0400_00342 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00343 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0400_00344 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0400_00345 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0400_00346 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0400_00347 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,367,371,372,373,374,375,377,381,385,388,391,397,404,406,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0400_00348 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0400_00349 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00350 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0400_00351 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00352 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00353 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +0400_00354 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0400_00355 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +0400_00356 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00357 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00358 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0400_00359 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0400_00360 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0400_00361 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0400_00362 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0400_00363 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00364 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0400_00365 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0400_00366 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +0400_00367 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00368 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0400_00369 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00370 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00371 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0400_00372 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0400_00373 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0400_00374 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0400_00375 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0400_00376 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00377 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00378 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0400_00379 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0400_00380 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0400_00381 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0400_00382 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0400_00383 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00384 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,705 +0400_00385 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0400_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0400_00387 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0400_00388 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0400_00389 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0400_00390 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0400_00391 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711,759,822 +0400_00392 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00393 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0400_00394 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0400_00395 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0400_00396 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0400_00397 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0400_00398 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0400_00399 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0400_00400 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0400_00401 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00402 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00403 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0400_00404 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0400_00405 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0400_00406 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0400_00407 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0400_00408 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0400_00409 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0400_00410 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0400_00411 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0400_00412 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0400_00413 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0400_00414 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,627,633,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,694,695,697,699,705,706,707,709,710,711,757,820 +0400_00415 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00416 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0400_00417 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00418 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0400_00419 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0400_00420 10,11,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,582,589,615,640,643 +0400_00421 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0400_00422 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0400_00423 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0400_00424 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0400_00425 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,418,421,428,431,435,441,442,444,447,453,461,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0400_00426 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0400_00427 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0400_00428 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0400_00429 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0400_00430 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0400_00431 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0400_00432 10,11,12,19,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,709,710,711,715,778 +0400_00433 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0400_00434 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0400_00435 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0400_00436 10,11,12,13,19,20,21,22,179,182,284,285,287,333,340,342,345,347,348,353,367,368,375,381,406,421,441,444,453,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0400_00437 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0400_00438 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0400_00439 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0400_00440 10,11,12,19,20,21,284,285,287,333,334,336,342,345,347,353,367,375,381,406,421,433,441,444,453,463,536,538,580,582,589,606,615,638,643,682,687,688,709 +0400_00441 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00442 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +0400_00443 10,11,12,13,15,16,19,20,21,179,180,184,185,186,187,193,256,258,284,285,286,287,300,302,333,334,336,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,541,546,547,550,553,554,557,559,565,567,571,574,579,580,583,585,593,595,596,600,601,604,608,609,614,615,616,619,620,629,634,635,638,641,644,657,660,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713,738,801 +0400_00444 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0400_00445 10,11,12,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,580,615,638,682,687,688 +0400_00446 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0400_00447 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0400_00448 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0400_00449 10,11,12,13,15,16,19,20,21,144,146,147,179,180,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,366,367,375,381,391,392,393,394,406,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,615,616,618,638,644,646,647,657,660,680,681,684,685,689,690,692,693,696,697,699,703,704,705,708,709,710,711,822 +0400_00450 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0400_00451 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711,757,820 +0400_00452 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0400_00453 10,11,12,13,15,19,179,180,181,182,186,187,193,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,639,641,642,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0400_00454 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0400_00455 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00456 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0400_00457 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0400_00458 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0400_00459 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0400_00460 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0400_00461 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00462 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0400_00463 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,689,690,699,709,710,711,757,820 +0400_00464 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0400_00465 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0400_00466 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0400_00467 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0400_00468 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0400_00469 10,11,12,13,15,16,34,35,179,180,181,182,184,185,186,187,193,200,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,369,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,630,634,635,641,657,658,659,661,665,666,669,678,679,680,684,689,725,747,768,788,810,831 +0400_00470 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0400_00471 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0400_00472 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0400_00473 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0400_00474 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0400_00475 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0400_00476 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0400_00477 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0400_00478 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0400_00479 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0400_00480 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 diff --git a/processed_data/0400/0400_gradient.tsv b/processed_data/0400/0400_gradient.tsv new file mode 100644 index 000000000..a6d11397d --- /dev/null +++ b/processed_data/0400/0400_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.35 99.5 0.5 +4 0.35 30 70 +4.5 0.35 2 98 +5.4 0.35 2 98 diff --git a/processed_data/0400/0400_info.tsv b/processed_data/0400/0400_info.tsv new file mode 100644 index 000000000..4da5f1797 --- /dev/null +++ b/processed_data/0400/0400_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0400 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_79 diff --git a/processed_data/0400/0400_metadata.tsv b/processed_data/0400/0400_metadata.tsv new file mode 100644 index 000000000..6a13b7634 --- /dev/null +++ b/processed_data/0400/0400_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0400 Waters ACQUITY UPLC HSS C18 L1 100 2.1 1.7 40 0.35 0.63 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2 98 0 0 diff --git a/processed_data/0400/0400_report_canonical.pdf b/processed_data/0400/0400_report_canonical.pdf new file mode 100644 index 000000000..5df4093a1 Binary files /dev/null and b/processed_data/0400/0400_report_canonical.pdf differ diff --git a/processed_data/0400/0400_report_isomeric.pdf b/processed_data/0400/0400_report_isomeric.pdf new file mode 100644 index 000000000..c20a9b6bb Binary files /dev/null and b/processed_data/0400/0400_report_isomeric.pdf differ diff --git a/processed_data/0400/0400_rtdata_canonical_success.tsv b/processed_data/0400/0400_rtdata_canonical_success.tsv new file mode 100644 index 000000000..52c052cea --- /dev/null +++ b/processed_data/0400/0400_rtdata_canonical_success.tsv @@ -0,0 +1,481 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0400_00001 C10H14N2 0.39175434 CN1CCCC1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0400_00002 C10H26N4 0.56130287 C(CCNCCCN)CNCCCN InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 PFNFFQXMRSDOHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00003 C6H17N3 0.58307109 C(CN)CNCCCN InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 OTBHHUPVCYLGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00004 C7H19N3 0.5848956 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00005 C12H28N4O 0.59349954 CC(=O)NCCCNCCCCNCCCN InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) GUNURVWAJRRUAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Acetamides (CHEMONTID:0003922) +0400_00006 C3H10N2 0.62011882 C(CN)CN InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 XFNJVJPLKCPIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00007 C5H9N3 0.62026959 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0400_00008 C4H12N2 0.62046147 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00009 C5H14N2 0.62432259 C(CCN)CCN InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00010 C6H11N3 0.62758606 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0400_00011 C6H11N3O 0.63316239 C1=C(NC=N1)CC(CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9) ZQISRDCJNBUVMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00012 C6H14N2O3 0.65603564 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00013 C6H14N2O2 0.65774619 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00014 C5H12N2O2 0.6664916 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00015 C3H8N2O2 0.66669279 C(C(C(=O)O)N)N InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) PECYZEOJVXMISF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00016 C5H12N2O2 0.66849276 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00017 C6H9N3O2 0.68026106 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00018 C9H14N4O3 0.68378279 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0400_00019 C9H20N2O2 0.68449472 C[N+](C)(C)CCCCC(C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3 MXNRLFUSFKVQSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00020 C7H11N3O2 0.68976066 CN1C=NC=C1CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) JDHILDINMRGULE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00021 C6H13NO5 0.69173864 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00022 C6H13NO5 0.69434739 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00023 C6H13NO5 0.70121629 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00024 C6H14N4O2 0.70191382 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00025 C7H14N2O4 0.70257312 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00026 C5H10N2O3S 0.70568252 C(C(C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9) ZUKPVRWZDMRIEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00027 C4H11NO2 0.70925084 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0400_00028 C3H7NO2 0.71116871 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00029 C5H12N2O3S 0.72058824 CS(=N)(=O)CCC(C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9) SXTAYKAGBXMACB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00030 C4H8N2O3 0.72398495 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00031 C6H14NO8P 0.72561932 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00032 C5H14NO 0.72646587 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0400_00033 C2H8NO3P 0.72664184 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0400_00034 C6H12N2O4S2 0.72873149 C(C(C(=O)O)N)SSCC(C(=O)O)N InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12) LEVWYRKDKASIDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00035 C7H16N4O2 0.72970234 C(CCN=C(N)N)CC(C(=O)O)N InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11) QUOGESRFPZDMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00036 C7H14N2O4S 0.73040674 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00037 C8H12N2O2 0.73125804 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) +0400_00038 C3H7NO3 0.73134117 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00039 C6H13NO6 0.73203232 C(C(C(C(C(C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13) UFYKDFXCZBTLOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00040 C3H7NO2 0.73436494 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00041 C4H8N2O3 0.73451462 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00042 C6H13NO8S 0.73552274 C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13) MTDHILKWIRSIHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide sulfates (CHEMONTID:0003306) +0400_00043 C2H8NO4P 0.73711149 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0400_00044 C6H12O6 0.73716645 C1(C(C(C(C(C1O)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0400_00045 C2H7NO2S 0.74322807 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +0400_00046 C5H15NO4P 0.74497271 C[N+](C)(C)CCOP(=O)(O)O InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 YHHSONZFOIEMCP-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Phosphocholines (CHEMONTID:0001250) +0400_00047 C5H10N2O3 0.74667645 C(CC(=O)N)C(C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00048 C3H7NO2 0.74736427 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00049 C4H7NO4 0.74883929 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00050 C2H7NO3S 0.74922119 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0400_00051 C3H7NO2 0.74980548 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00052 C5H9NO3 0.75106739 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00053 C4H9NO3 0.7529075 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00054 C4H9NO3 0.75347211 C(CO)C(C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00055 C7H15NO3 0.75363786 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0400_00056 C3H5NO4 0.75405976 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00057 C7H15NO3 0.75456374 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0400_00058 C7H9N2O 0.75473197 C[N+]1=CC=CC(=C1)C(=O)N InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 LDHMAVIPBRSVRG-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0400_00059 C4H9NO3 0.75784069 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00060 C3H8NO6P 0.75909985 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00061 C3H7N3O2 0.75942837 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00062 C4H9NO2 0.7609889 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00063 C12H18N4O4PS 0.76245327 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1 HZSAJDVWZRBGIF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Thiamines (CHEMONTID:0001285) Thiamine phosphates (CHEMONTID:0001287) +0400_00064 C5H9NO3 0.76251589 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00065 C8H20NO6P 0.76350074 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0400_00066 C5H9NO4 0.76410471 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00067 C6H13NO4 0.76477635 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00068 C6H13N3O3 0.76556169 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00069 C3H9NO 0.76586967 C[N+](C)(C)[O-] InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 UYPYRKYUKCHHIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Aminoxides (CHEMONTID:0003993) Trialkyl amine oxides (CHEMONTID:0004184) NA (NA) +0400_00070 C6H12O6 0.76665264 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00071 C3H7NO4S 0.76804547 C(C(C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8) ADVPTQAUNPRNPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00072 C5H9NO3 0.76831813 C(CC(=O)O)C(=O)CN InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) ZGXJTSGNIOSYLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0400_00073 C4H9NO2 0.77004972 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00074 C4H7N3O 0.77005149 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00075 C6H14O6 0.77062804 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00076 C6H12O6 0.77073766 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00077 C5H9NO4 0.7719664 CNC(CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10) HOKKHZGPKSLGJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00078 C3H7NO5S 0.77299959 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00079 C2H7N3 0.77609996 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0400_00080 C6H13O9P 0.77620726 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0400_00081 C4H8N4O4 0.77672716 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00082 C6H12O6 0.77686212 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00083 C5H11O8P 0.77783964 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11) KTVPXOYAKDPRHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0400_00084 C4H7NO2 0.77944522 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00085 C5H12O5 0.78077809 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00086 C3H6O3 0.78164316 C(CO)C(=O)O InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0400_00087 C6H13O9P 0.78273814 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00088 C5H12O5 0.78287486 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00089 C4H5N3O 0.78305361 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00090 C6H13O9P 0.78319142 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0400_00091 C6H14O6 0.78509001 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00092 C4H10O4 0.78809247 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00093 C5H12O5 0.78835182 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00094 C4H10O4 0.79127284 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00095 C6H10O6 0.79494499 C(C1C(C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2 PHOQVHQSTUBQQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00096 C3H7NO2S 0.79821537 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00097 C4H8O3 0.79878471 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0400_00098 C12H22O11 0.79929186 C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2 JCQLYHFGKNRPGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00099 C12H22O11 0.80144394 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00100 C5H9N3O4 0.80169094 C(C(C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8) VVHOUVWJCQOYGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00101 C6H10O6 0.80414784 C(C(C1C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2 SXZYCXMUPBBULW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0400_00102 C12H22O11 0.80442191 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 DLRVVLDZNNYCBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00103 C4H9NO2 0.80562985 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00104 C8H11NO3 0.80622444 C1=CC(=C(C=C1C(CN)O)O)O InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 SFLSHLFXELFNJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00105 C8H9NO3 0.80794614 C1=CC(=CC=C1C(C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12) LJCWONGJFPCTTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00106 C6H10O7 0.80798156 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0400_00107 C7H15NO2 0.81361724 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0400_00108 C8H15NO6 0.81451722 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00109 C3H9O6P 0.81533256 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0400_00110 C6H11NO4 0.81710947 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00111 C4H9N3O2 0.81986876 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00112 C4H9NO2 0.82054307 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00113 C7H7NO2 0.82154749 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0400_00114 C14H26N4O11P2 0.82244914 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25) RZZPDXZPRHQOCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0400_00115 C5H6N2O2 0.82467839 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0400_00116 C6H7NO 0.82850629 C1=CC(=CC=C1N)O InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0400_00117 C4H9NO2 0.83052519 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00118 C18H32O16 0.83494731 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 MUPFEKGTMRGPLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0400_00119 C4H9NO2 0.83870882 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00120 C5H9NO2 0.84195406 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00121 C4H11N5 0.84389625 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0400_00122 C6H11NO4 0.84444622 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00123 C11H19NO9 0.84610585 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0400_00124 C18H32O16 0.84655381 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2 FYGDTMLNYKFZSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0400_00125 CH4N2S 0.84720003 C(=S)(N)N InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) UMGDCJDMYOKAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioureas (CHEMONTID:0001209) NA (NA) NA (NA) NA (NA) +0400_00126 C5H9NO2 0.84743312 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00127 C6H10O5 0.84975932 C1C2C(C(C(C(O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2 TWNIBLMWSKIRAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0400_00128 C8H9NO3 0.84985859 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0400_00129 C6H11NO4 0.84998195 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00130 C8H15NO6 0.85093909 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00131 C5H9NO4 0.85420725 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00132 C9H13NO2 0.85465249 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00133 C4H6N4O3 0.85474692 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0400_00134 C7H15N3O3 0.85662867 C(CCNC(=O)N)CC(C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13) XIGSAGMEBXLVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00135 C8H15NO6 0.85779514 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00136 C12H22O11 0.86035721 C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00137 C6H7N5 0.86152776 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0400_00138 C6H12O5 0.86371171 C1C(C(C(C(O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2 MPCAJMNYNOGXPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0400_00139 C9H17NO4 0.86373592 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00140 C7H12O6 0.86701121 C1C(C(C(CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) AAWZDTNXLSGCEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0400_00141 C5H9NO4S 0.87264499 C(C(C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) GBFLZEXEOZUWRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00142 C4H7NOS 0.87326594 C1CSC(=O)C1N InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2 KIWQWJKWBHZMDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00143 C6H5NO2 0.87698779 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00144 C8H8O2 0.89724562 COC1=CC=C(C=C1)C=O InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 ZRSNZINYAWTAHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0400_00145 C8H16N2O3 0.90305201 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00146 C8H11NO2 0.90424165 C1=CC(=CC=C1C(CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 QHGUCRYDKWKLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00147 C11H15N2O8P 0.90653375 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19) DAYLJWODMCOQEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyridine nucleotides (CHEMONTID:0001297) Nicotinamide nucleotides (CHEMONTID:0001268) NA (NA) NA (NA) +0400_00148 C7H16NO2 0.90715224 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0400_00149 C4H9NO2S 0.90724464 C(CS)C(C(=O)O)N InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) FFFHZYDWPBMWHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00150 C5H11NO2 0.90916656 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0400_00151 C6H14N2O 0.91000482 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0400_00152 C9H13NO3 0.91050984 CNCC(C1=CC(=C(C=C1)O)O)O InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 UCTWMZQNUQWSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00153 C5H7N3O 0.91092011 CC1=C(NC(=O)N=C1)N InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0400_00154 C9H12N3O7P 0.91197261 C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14) NMPZCCZXCOMSDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0400_00155 C9H14N3O8P 0.91222854 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) UOOOPKANIPLQPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0400_00156 C3H5NO3 0.91947039 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00157 C6H10N2O4 0.98131489 CC(=O)NC(CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12) HXFOXFJUNFFYMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00158 C5H6N2O4 0.99480997 C1C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11) UFIVEPVSAGBUSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00159 C5H4N2O4 1.013533 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0400_00160 C6H6O4S 1.0249788 C1=CC(=CC=C1O)S(=O)(=O)O InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) FEPBITJSIHRMRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0400_00161 C5H5N5 1.0468469 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0400_00162 C9H13N3O5 1.0950868 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16) UHDGCWIWMRVCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0400_00163 C9H14N3O7P 1.1039998 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17) NCMVOABPESMRCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0400_00164 C9H15N4O8P 1.1084593 C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19) NOTGFIUVDGNKRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0400_00165 C5H11N3O2 1.1129898 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00166 C4H7NO3 1.1311808 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00167 C6H5NO2 1.1354302 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00168 C6H11NO2 1.1477944 C1CCNC(C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) HXEACLLIILLPRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00169 C6H6N2O2 1.1586063 C1=C(NC=N1)C=CC(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) LOIYMIARKYCTBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0400_00170 C9H13NO3 1.1590697 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00171 C4H6N2O2 1.1605138 C1CNC(=O)NC1=O InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) OIVLITBTBDPEFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00172 C4H4N2O2 1.1780641 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00173 C6H9NO5 1.2287519 CC(=O)NC(CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12) OTCCIMWXFLJLIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00174 C7H7NO3 1.2513513 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00175 C5H11NO2S 1.2574553 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00176 C6H5NO2 1.2655783 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00177 C5H11NO2S 1.2710723 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00178 C9H11NO4 1.2873823 C1=CC(=C(C=C1CC(C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) WTDRDQBEARUVNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00179 C9H13N3O4 1.2905895 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0400_00180 C10H13N4O8P 1.2980709 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0400_00181 C7H7NO3 1.3170674 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00182 C7H5NO4 1.3471462 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00183 C9H13N2O8P 1.3504506 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17) JSRLJPSBLDHEIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0400_00184 C8H11NO2 1.3547403 C1=CC(=C(C=C1CCN)O)O InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) Catecholamines and derivatives (CHEMONTID:0000182) +0400_00185 C8H13NO6 1.3638872 C(COC(=O)CCC(=O)O)C(C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14) GNISQJGXJIDKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00186 C5H4N4O 1.3837483 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0400_00187 C6H6N2O 1.4017233 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0400_00188 C10H13N4O9P 1.4091226 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18) DCTLYFZHFGENCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0400_00189 C6H7NO 1.4217393 C1=CC=C(C(=C1)N)O InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 CDAWCLOXVUBKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0400_00190 C6H8O7 1.4332242 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0400_00191 C5H4N2O4 1.5067842 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0400_00192 C8H11NO3 1.5355242 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0400_00193 C7H7NO3 1.5440922 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00194 C7H7NO3 1.5440922 C1=CC(=C(C(=C1)N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11) IQGMRVWUTCYCST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00195 C5H7NO3 1.555746 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic 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Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0400_00227 C10H13N5O4 1.8637182 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00228 C4H6O4 1.8698573 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0400_00229 C5H8N2O2 1.8736029 CC1CNC(=O)NC1=O InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) NBAKTGXDIBVZOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0400_00230 C7H6O5 1.8755307 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0400_00231 C10H15N5O3 1.8785774 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0400_00232 C5H6N2O2 1.8832988 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0400_00233 C6H13NO2 1.8875583 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00234 C6H10O5 1.8933799 C(CC(C(=O)O)O)CC(=O)O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00235 C6H10O5 1.8995249 CC(CC(=O)O)(CC(=O)O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) NPOAOTPXWNWTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00236 C10H12N2O 1.9002488 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0400_00237 C10H7NO2 1.9068689 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00238 C11H19NO8 1.9122418 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17) MNLRQHMNZILYPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00239 C10H13N5O5 1.9155025 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00240 C4H6O5 1.9187694 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0400_00241 C10H12N4O5 1.9228624 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides 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derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00245 C10H12N5O6P 1.9541828 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0400_00246 C6H13NO2 1.9553969 CCCCC(C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) LRQKBLKVPFOOQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00247 C6H5NO3 1.9581576 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00248 C6H13NO2 1.9702367 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00249 C8H9NO4 1.9744272 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00250 C11H12N2O3 1.9745546 C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) LDCYZAJDBXYCGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0400_00251 C6H10O3 1.9789921 CC1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 JYVXNLLUYHCIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0400_00252 C7H9N 1.9867783 C1=CC=C(C=C1)CN InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 WGQKYBSKWIADBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0400_00253 C10H12N5O7P 1.9895071 C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17) ZOOGRGPOEVQQDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0400_00254 C6H10O3 1.9935699 CC1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 JYVXNLLUYHCIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0400_00255 C9H13NO2 1.9937413 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00256 C13H21N3O 2.0126521 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0400_00257 C8H11NO 2.0384457 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00258 C11H16N2O2 2.0419678 CCC1C(COC1=O)CC2=CN=CN2C InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3 QCHFTSOMWOSFHM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0400_00259 C10H12N4O6 2.0909203 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00260 C6H6N4O3 2.0987218 CN1C(=O)C2=C(NC(=O)N2)NC1=O InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12) QFDRTQONISXGJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00261 C4H5NO4S 2.1184862 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0400_00262 C6H6N4O2 2.1747404 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00263 C7H6O3 2.1890081 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00264 C10H12N2O3 2.203979 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0400_00265 C8H8O4 2.2288594 C1=CC(=C(C=C1O)CC(=O)O)O InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0400_00266 C15H23N3O4S 2.235128 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00267 C10H13N5O3 2.2535259 CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13) XGYIMTFOTBMPFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0400_00268 C6H6N4O2 2.2825463 CN1C(=O)C2=C(NC1=O)N=CN2 InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) MVOYJPOZRLFTCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00269 C10H14N2O5 2.2879799 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0400_00270 C13H22N4O3S 2.3152821 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00271 C11H15N5O4 2.3303677 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00272 C13H21NO3 2.3356622 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0400_00273 C11H13NO3 2.3444555 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00274 C14H22N2O3 2.3480488 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00275 C6H11NO3 2.3596654 CCCC(=O)NCC(=O)O InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) WPSSBBPLVMTKRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00276 C6H6O4 2.3642387 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0400_00277 C6H8N2O2 2.3837482 CN1C=CC(=O)N(C1=O)C InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00278 C7H7NO2 2.405213 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00279 C9H10N2O5 2.436641 C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14) FBTSQILOGYXGMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00280 C11H13N3O 2.4408008 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) JLSKPBDKNIXMBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00281 C7H8N4O3 2.4723269 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00282 C7H8N4O2 2.4968001 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00283 C9H10N2O4 2.5016855 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13) GTVVZTAFGPQSPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00284 C8H9NO2 2.5115442 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00285 C9H17NO5 2.5628484 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00286 C9H17NO5 2.5650445 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00287 C7H7NO3 2.5711124 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00288 C5H8O4 2.5791297 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00289 C7H6O5 2.5875478 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00290 C8H17NO2 2.5940922 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00291 C9H13N 2.6078642 CNCCC1=CC=CC=C1 InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 SASNBVQSOZSTPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0400_00292 C10H15N 2.6141405 CN(C)CCC1=CC=CC=C1 InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 TXOFSCODFRHERQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0400_00293 C7H5NO3S 2.663483 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0400_00294 C6H8O4 2.667672 C(C=CCC(=O)O)C(=O)O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10) YHGNXQAFNHCBTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00295 C7H7NO3 2.6924572 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00296 C6H6O3 2.7664592 CC1=C(C(=O)C=CO1)O InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 XPCTZQVDEJYUGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0400_00297 C15H16O9 2.7750148 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0400_00298 C6H11NO3S 2.7791139 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00299 C7H8N4O3 2.7796198 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00300 C9H9NO4 2.7971781 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00301 C7H8N4O2 2.7995767 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00302 C11H12N2O2 2.8110853 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00303 C11H12N2O2 2.8124479 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00304 C13H18O7 2.8162533 C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 NGFMICBWJRZIBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0400_00305 C10H12N2 2.8169182 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00306 C6H6O2 2.8275327 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0400_00307 C6H10O4 2.8286675 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00308 C15H14O6 2.8448614 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0400_00309 C11H15N5O3S 2.8468257 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0400_00310 C9H10O4 2.8653602 C1=CC(=CC=C1CC(C(=O)O)O)O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00311 C8H8O2 2.8680297 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00312 C11H14N2 2.8726186 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00313 C5H10O3 2.8736542 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00314 C11H13NO4 2.8871717 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16) CAHKINHBCWCHCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00315 C8H7NO 2.8974498 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00316 C7H8N4O2 2.8978977 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00317 C7H11NO3 2.9006365 CC=C(C)C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10) WRUSVQOKJIDBLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00318 C7H6O3 2.9133303 C1=CC(=C(C=C1C=O)O)O InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H IBGBGRVKPALMCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0400_00319 C10H9NO3 2.9242809 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00320 C13H16N2O5 2.9466831 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00321 C8H9NO 2.9474896 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0400_00322 C6H10O4 2.967765 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00323 C7H13NO3 2.9740977 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00324 C14H15NO7 2.976551 C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20) KUYNOZVWCFXSNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0400_00325 C7H13NO3S 2.9771112 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00326 C8H10N4O3 2.9986366 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00327 C7H8O3S 2.9989783 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0400_00328 C19H19N7O6 3.0054171 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30) OVBPIULPVIDEAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0400_00329 C12H14N2O2 3.0069323 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00330 C6H10O4 3.0183227 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00331 C16H18O9 3.0304438 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0400_00332 C7H7NO3 3.0356362 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00333 C10H7NO4 3.0371173 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00334 C6H8O4 3.0659942 CC(=CC(=O)O)CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) WKRBKYFIJPGYQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00335 C7H13NO3 3.0748931 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00336 C7H6O3 3.1028889 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00337 C17H22N2O 3.1395578 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0400_00338 C11H17NO3 3.1425507 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0400_00339 C10H7NO3 3.1791622 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00340 C10H7NO2 3.2120519 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00341 C17H23NO3 3.2208853 CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 RKUNBYITZUJHSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0400_00342 C9H9NO3 3.2244295 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00343 C21H31N3O5 3.2247238 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00344 C9H9NO3 3.2259633 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00345 C8H10N4O2 3.2271192 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00346 C8H8O3 3.2298726 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00347 C7H7NO2 3.2327022 COC(=O)C1=CN=CC=C1 InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 YNBADRVTZLEFNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00348 C8H6O3 3.2381087 C1=CC=C(C(=C1)C=O)C(=O)O InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) DYNFCHNNOHNJFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0400_00349 C15H14O6 3.2541573 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0400_00350 C13H16N2O4 3.2707305 C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19) JFLIEFSWGNOPJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00351 C9H8O4 3.287108 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00352 C9H8O4 3.298166 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00353 C7H10O4 3.3007572 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0400_00354 C8H6O4 3.321438 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0400_00355 C6H10O2 3.3312709 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0400_00356 C8H8O4 3.3345074 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00357 C9H10N2 3.3367632 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0400_00358 C10H17NO5 3.3462236 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00359 C7H12O5 3.3511931 CC(C)C(CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) BITYXLXUCSKTJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00360 C5H4O3 3.3546843 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0400_00361 C17H20N2O2 3.3635476 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00362 C10H17N3O6S 3.3651842 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0400_00363 C8H9NO 3.3827042 C1=CC=C(C=C1)CC(=O)N InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00364 C7H11NO2 3.3904724 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0400_00365 C7H6O2 3.3910048 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0400_00366 C10H16N2O3S 3.415991 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) YBJHBAHKTGYVGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0400_00367 C9H10O4 3.4175701 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00368 C6H6N4S 3.4260833 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0400_00369 C9H10O5 3.433755 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0400_00370 C16H19N3O4S 3.4505911 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00371 C7H12O4 3.4551041 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00372 C7H12O4 3.4645169 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00373 C7H6O3 3.471433 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00374 C10H11NO3 3.4851658 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00375 C10H17N 3.488355 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00376 C7H8O2 3.4901447 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00377 C17H20N4O6 3.4971713 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0400_00378 C10H10N2O 3.5214713 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00379 C7H7NO2 3.5584558 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0400_00380 C14H18N2O5 3.5590861 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0400_00381 C6H12O3 3.5622704 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00382 C10H11NO3 3.564671 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00383 C16H12O6 3.6162639 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3 QVYSSMFEUBQBEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0400_00384 C7H8O3 3.6275353 CCC1=C(C(=O)C=CO1)O InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 YIKYNHJUKRTCJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0400_00385 C8H8O4 3.640715 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00386 C9H10O4 3.6455146 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0400_00387 C7H7NO2 3.6472189 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00388 C8H9NO 3.6650812 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00389 C9H10O3 3.7021357 C1=CC=C(C=C1)CC(C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) VOXXWSYKYCBWHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00390 C9H8O3 3.7629304 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00391 C8H7NO 3.7629534 C1C2=CC=CC=C2NC1=O InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) JYGFTBXVXVMTGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0400_00392 C13H16N2O2 3.8207232 CCOC(=O)C(CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3 DABYEOZXRSTEGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00393 C9H10O3 3.8423436 CC(C1=CC=C(C=C1)O)C(=O)O InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) ZHMMPVANGNPCBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00394 C8H7NO 3.846806 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00395 C10H10O4 3.8716479 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00396 C10H18N2O3 3.8832181 CC1C(NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) AUTOLBMXDDTRRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0400_00397 C8H15NO3 3.8986267 CC(C)CC(C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12) WXNXCEHXYPACJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00398 C11H11NO3 3.9341443 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00399 C6H12O3 3.9361005 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00400 C10H13N5 3.9396032 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0400_00401 C13H14N2O3 3.9584573 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00402 C13H14N2O3 3.9624454 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00403 C11H13NO3 3.9944111 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00404 C13H14N2O3 4.0039262 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00405 C13H16N2O2 4.0498017 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00406 C8H15NO3 4.0807671 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00407 C9H7NO2 4.0843504 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0400_00408 C11H11NO3 4.0884332 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00409 C8H8O3 4.0919674 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0400_00410 C8H10O3 4.1329621 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00411 C14H12O3 4.1508658 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0400_00412 C6H5NO3 4.17794 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0400_00413 C11H11NO3 4.1801859 C1=CC=C(C=C1)C=CC(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15) YAADMLWHGMUGQL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00414 C9H6O2 4.1937368 C1=CC=C2C(=C1)C=CC(=O)O2 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0400_00415 C10H9NO2 4.2097332 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00416 C10H11NO 4.2245595 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00417 C10H9NO2 4.2248575 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00418 C15H10O8 4.2726535 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0400_00419 C10H12O5 4.2960453 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 ZTHYODDOHIVTJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0400_00420 C7H12O4 4.3184333 CCOC(=O)CC(=O)OCC InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 IYXGSMUGOJNHAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0400_00421 C16H21NO2 4.3267018 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0400_00422 C9H10O4 4.360249 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00423 C17H21NO 4.3731172 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0400_00424 C9H8O3 4.383005 C1=CC(=CC(=C1)O)C=CC(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) KKSDGJDHHZEWEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00425 C9H6O2 4.3935935 C1=CC=C(C=C1)C#CC(=O)O InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) XNERWVPQCYSMLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00426 C9H11NO2 4.4008918 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0400_00427 C17H19N3O3S 4.4154925 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0400_00428 C12H21N 4.4218849 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00429 C9H9NO 4.4291662 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0400_00430 C16H28N2O4 4.4333826 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) VSZGPKBBMSAYNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00431 C19H21NO 4.4392747 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0400_00432 C8H8O 4.4636139 C=CC1=CC=C(C=C1)O InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 FUGYGGDSWSUORM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Styrenes (CHEMONTID:0000037) NA (NA) NA (NA) +0400_00433 C12H24O11 4.4664744 C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2 VQHSOMBJVWLPSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0400_00434 C23H32N6O4S 4.4684405 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00435 C8H8O4 4.4773573 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00436 C16H22O11 4.4981694 CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3 LPTITAGPBXDDGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Pentacarboxylic acids and derivatives (CHEMONTID:0002995) NA (NA) NA (NA) +0400_00437 C12H10N4O2 4.5016948 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0400_00438 C22H26N2O4S 4.5272895 CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3 HSUGRBWQSSZJOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0400_00439 C27H38N2O4 4.5438768 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0400_00440 C9H14O5 4.5574725 CCOC(=O)C(C)C(=O)C(=O)OCC InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3 OQOCQBJWOCRPQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0400_00441 C9H16O4 4.5602264 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00442 C11H9NO2 4.5912973 C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14) PLVPPLCLBIEYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0400_00443 C26H29N3O6 4.5984881 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ZBBHBTPTTSWHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0400_00444 C8H15NOS2 4.6034822 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0400_00445 C8H14O4 4.6129439 CCOC(=O)CCC(=O)OCC InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 DKMROQRQHGEIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0400_00446 C18H24O3 4.6146436 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0400_00447 C11H11NO2 4.6259391 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00448 C15H29NO4 4.6498443 CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3 CXTATJFJDMJMIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00449 C19H32N2O5 4.6582819 CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24) IPVQLZZIHOAWMC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00450 C8H7N 4.7018102 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0400_00451 C17H21NO 4.7188829 CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3 VHGCDTVCOLNTBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0400_00452 C19H24N2 4.7707258 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0400_00453 C20H31NO 4.77473 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2 HWHLPVGTWGOCJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00454 C37H67NO13 4.8223925 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0400_00455 C11H11NO2 4.8456034 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00456 C20H23N 4.848747 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0400_00457 C21H28O5 4.869607 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00458 C16H29N3O6S 4.8798841 CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25) HXJDWCWJDCOHDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0400_00459 C9H8O2 4.9186154 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0400_00460 C12H13NO2 4.9221186 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00461 C10H18O4 4.9609664 C(CCCCC(=O)O)CCCC(=O)O InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CXMXRPHRNRROMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00462 C11H14O2 5.0049953 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00463 C10H10O2 5.0164603 COC1=CC=CC=C1C=CC=O InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3 KKVZAVRSVHUSPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0400_00464 C21H30O5 5.0236442 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00465 C10H20O3 5.0632967 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0400_00466 C12H18N2O3S 5.1092847 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00467 C14H16N2O2 5.1379064 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 NPUKDXXFDDZOKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0400_00468 C8H16O3 5.1832033 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00469 C21H26N2S2 5.1940878 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0400_00470 C12H13NO2 5.2117638 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00471 C10H19NO3 5.2158971 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00472 C17H33NO4 5.2458166 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3 LZOSYCMHQXPBFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00473 C10H12O3 5.2475873 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0400_00474 C17H18N2O6 5.2799077 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0400_00475 C8H8O3 5.2903502 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00476 C21H30O4 5.3131685 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3 OMFXVFTZEKFJBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00477 C23H32O6 5.3156671 CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3 ALEXXDVDDISNDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0400_00478 C21H30O4 5.3293303 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00479 C15H14O4 5.3521946 CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3 RYWSYCQQUDFMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0400_00480 C16H14O3 5.3733139 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) diff --git a/processed_data/0400/0400_rtdata_isomeric_success.tsv b/processed_data/0400/0400_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..df3de885d --- /dev/null +++ b/processed_data/0400/0400_rtdata_isomeric_success.tsv @@ -0,0 +1,481 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0400_00001 C10H14N2 0.39175434 CN1CCC[C@H]1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0400_00002 C10H26N4 0.56130287 C(CCNCCCN)CNCCCN InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 PFNFFQXMRSDOHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00003 C6H17N3 0.58307109 C(CN)CNCCCN InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 OTBHHUPVCYLGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00004 C7H19N3 0.5848956 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0400_00005 C12H28N4O 0.59349954 CC(=O)NCCCNCCCCNCCCN InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) GUNURVWAJRRUAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Acetamides (CHEMONTID:0003922) +0400_00006 C3H10N2 0.62011882 C(CN)CN InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 XFNJVJPLKCPIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00007 C5H9N3 0.62026959 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0400_00008 C4H12N2 0.62046147 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00009 C5H14N2 0.62432259 C(CCN)CCN InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00010 C6H11N3 0.62758606 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0400_00011 C6H11N3O 0.63316239 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00012 C6H14N2O3 0.65603564 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00013 C6H14N2O2 0.65774619 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00014 C5H12N2O2 0.6664916 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00015 C3H8N2O2 0.66669279 C([C@@H](C(=O)O)N)N InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1 PECYZEOJVXMISF-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00016 C5H12N2O2 0.66849276 C(C[C@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1 AHLPHDHHMVZTML-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00017 C6H9N3O2 0.68026106 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00018 C9H14N4O3 0.68378279 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0400_00019 C9H20N2O2 0.68449472 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1 MXNRLFUSFKVQSK-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00020 C7H11N3O2 0.68976066 CN1C=NC=C1C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00021 C6H13NO5 0.69173864 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1 MSWZFWKMSRAUBD-GASJEMHNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00022 C6H13NO5 0.69434739 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1 MSWZFWKMSRAUBD-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00023 C6H13NO5 0.70121629 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1 MSWZFWKMSRAUBD-CBPJZXOFSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00024 C6H14N4O2 0.70191382 C(C[C@@H](C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00025 C7H14N2O4 0.70257312 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 GMKMEZVLHJARHF-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00026 C5H10N2O3S 0.70568252 C([C@@H](C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1 ZUKPVRWZDMRIEO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00027 C4H11NO2 0.70925084 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0400_00028 C3H7NO2 0.71116871 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00029 C5H12N2O3S 0.72058824 CS(=N)(=O)CC[C@@H](C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1 SXTAYKAGBXMACB-DPVSGNNYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00030 C4H8N2O3 0.72398495 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00031 C6H14NO8P 0.72561932 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1 XHMJOUIAFHJHBW-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00032 C5H14NO 0.72646587 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0400_00033 C2H8NO3P 0.72664184 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0400_00034 C6H12N2O4S2 0.72873149 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 LEVWYRKDKASIDU-IMJSIDKUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00035 C7H16N4O2 0.72970234 C(CCN=C(N)N)C[C@@H](C(=O)O)N InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1 QUOGESRFPZDMMT-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00036 C7H14N2O4S 0.73040674 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ILRYLPWNYFXEMH-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00037 C8H12N2O2 0.73125804 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) +0400_00038 C3H7NO3 0.73134117 C([C@@H](C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 MTCFGRXMJLQNBG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00039 C6H13NO6 0.73203232 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1 UFYKDFXCZBTLOO-TXICZTDVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00040 C3H7NO2 0.73436494 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00041 C4H8N2O3 0.73451462 C([C@@H](C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 DCXYFEDJOCDNAF-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00042 C6H13NO8S 0.73552274 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 MTDHILKWIRSIHB-QZABAPFNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00043 C2H8NO4P 0.73711149 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0400_00044 C6H12O6 0.73716645 C1(C(C(C(C(C1O)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0400_00045 C2H7NO2S 0.74322807 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +0400_00046 C5H15NO4P 0.74497271 C[N+](C)(C)CCOP(=O)(O)O InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 YHHSONZFOIEMCP-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Phosphocholines (CHEMONTID:0001250) +0400_00047 C5H10N2O3 0.74667645 C(CC(=O)N)[C@@H](C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 ZDXPYRJPNDTMRX-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00048 C3H7NO2 0.74736427 C[C@H](C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 QNAYBMKLOCPYGJ-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00049 C4H7NO4 0.74883929 C([C@@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CKLJMWTZIZZHCS-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00050 C2H7NO3S 0.74922119 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0400_00051 C3H7NO2 0.74980548 C[C@@H](C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00052 C5H9NO3 0.75106739 C1[C@H](CN[C@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1 PMMYEEVYMWASQN-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00053 C4H9NO3 0.7529075 C[C@@H]([C@@H](C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1 AYFVYJQAPQTCCC-HRFVKAFMSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00054 C4H9NO3 0.75347211 C(CO)[C@@H](C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00055 C7H15NO3 0.75363786 C[N+](C)(C)C[C@@H](CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 PHIQHXFUZVPYII-ZCFIWIBFSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0400_00056 C3H5NO4 0.75405976 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00057 C7H15NO3 0.75456374 [2H]C([2H])([2H])[N+](C[C@@H](CC(=O)[O-])O)(C([2H])([2H])[2H])C([2H])([2H])[2H] InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1/i1D3,2D3,3D3 PHIQHXFUZVPYII-SAQLGWHKSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0400_00058 C7H9N2O 0.75473197 C[N+]1=CC=CC(=C1)C(=O)N InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 LDHMAVIPBRSVRG-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0400_00059 C4H9NO3 0.75784069 C[C@H]([C@@H](C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 AYFVYJQAPQTCCC-GBXIJSLDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00060 C3H8NO6P 0.75909985 C([C@@H](C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 BZQFBWGGLXLEPQ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00061 C3H7N3O2 0.75942837 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00062 C4H9NO2 0.7609889 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00063 C12H18N4O4PS 0.76245327 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1 HZSAJDVWZRBGIF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Thiamines (CHEMONTID:0001285) Thiamine phosphates (CHEMONTID:0001287) +0400_00064 C5H9NO3 0.76251589 C1[C@H](CN[C@@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 PMMYEEVYMWASQN-DMTCNVIQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00065 C8H20NO6P 0.76350074 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0400_00066 C5H9NO4 0.76410471 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00067 C6H13NO4 0.76477635 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00068 C6H13N3O3 0.76556169 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00069 C3H9NO 0.76586967 C[N+](C)(C)[O-] InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 UYPYRKYUKCHHIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Aminoxides (CHEMONTID:0003993) Trialkyl amine oxides (CHEMONTID:0004184) NA (NA) +0400_00070 C6H12O6 0.76665264 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 WQZGKKKJIJFFOK-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00071 C3H7NO4S 0.76804547 C([C@@H](C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 ADVPTQAUNPRNPO-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00072 C5H9NO3 0.76831813 C(CC(=O)O)C(=O)CN InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) ZGXJTSGNIOSYLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0400_00073 C4H9NO2 0.77004972 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00074 C4H7N3O 0.77005149 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00075 C6H14O6 0.77062804 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00076 C6H12O6 0.77073766 C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1 WQZGKKKJIJFFOK-QRXFDPRISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00077 C5H9NO4 0.7719664 CN[C@H](CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1 HOKKHZGPKSLGJE-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00078 C3H7NO5S 0.77299959 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00079 C2H7N3 0.77609996 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0400_00080 C6H13O9P 0.77620726 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-FPRJBGLDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0400_00081 C4H8N4O4 0.77672716 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00082 C6H12O6 0.77686212 [2H][C@@]1([C@]([C@@](OC([C@]1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D WQZGKKKJIJFFOK-QCQRZMBHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0400_00083 C5H11O8P 0.77783964 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 KTVPXOYAKDPRHY-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0400_00084 C4H7NO2 0.77944522 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00085 C5H12O5 0.78077809 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00086 C3H6O3 0.78164316 C(CO)C(=O)O InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0400_00087 C6H13O9P 0.78273814 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00088 C5H12O5 0.78287486 C([C@@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 HEBKCHPVOIAQTA-IMJSIDKUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00089 C4H5N3O 0.78305361 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00090 C6H13O9P 0.78319142 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0400_00091 C6H14O6 0.78509001 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00092 C4H10O4 0.78809247 C([C@H]([C@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00093 C5H12O5 0.78835182 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00094 C4H10O4 0.79127284 C([C@H]([C@@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1 UNXHWFMMPAWVPI-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0400_00095 C6H10O6 0.79494499 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 PHOQVHQSTUBQQK-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0400_00096 C3H7NO2S 0.79821537 C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00097 C4H8O3 0.79878471 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0400_00098 C12H22O11 0.79929186 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 JCQLYHFGKNRPGE-FCVZTGTOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00099 C12H22O11 0.80144394 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 GUBGYTABKSRVRQ-DCSYEGIMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00100 C5H9N3O4 0.80169094 C([C@@H](C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1 VVHOUVWJCQOYGG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00101 C6H10O6 0.80414784 C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 SXZYCXMUPBBULW-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0400_00102 C12H22O11 0.80442191 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1 DLRVVLDZNNYCBX-ABXHMFFYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00103 C4H9NO2 0.80562985 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00104 C8H11NO3 0.80622444 C1=CC(=C(C=C1[C@H](CN)O)O)O InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 SFLSHLFXELFNJZ-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00105 C8H9NO3 0.80794614 C1=CC(=CC=C1[C@@H](C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 LJCWONGJFPCTTL-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00106 C6H10O7 0.80798156 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0400_00107 C7H15NO2 0.81361724 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0400_00108 C8H15NO6 0.81451722 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-ZTVVOAFPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00109 C3H9O6P 0.81533256 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0400_00110 C6H11NO4 0.81710947 CN[C@@H](CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 XLBVNMSMFQMKEY-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00111 C4H9N3O2 0.81986876 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00112 C4H9NO2 0.82054307 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00113 C7H7NO2 0.82154749 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0400_00114 C14H26N4O11P2 0.82244914 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 RZZPDXZPRHQOCG-OJAKKHQRSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0400_00115 C5H6N2O2 0.82467839 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0400_00116 C6H7NO 0.82850629 C1=CC(=CC=C1N)O InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0400_00117 C4H9NO2 0.83052519 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00118 C18H32O16 0.83494731 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1 MUPFEKGTMRGPLJ-BQCSWRFHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0400_00119 C4H9NO2 0.83870882 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00120 C5H9NO2 0.84195406 C1C[C@@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00121 C4H11N5 0.84389625 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0400_00122 C6H11NO4 0.84444622 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00123 C11H19NO9 0.84610585 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0400_00124 C18H32O16 0.84655381 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0400_00125 CH4N2S 0.84720003 C(=S)(N)N InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) UMGDCJDMYOKAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioureas (CHEMONTID:0001209) NA (NA) NA (NA) NA (NA) +0400_00126 C5H9NO2 0.84743312 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00127 C6H10O5 0.84975932 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 TWNIBLMWSKIRAT-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0400_00128 C8H9NO3 0.84985859 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0400_00129 C6H11NO4 0.84998195 C(C[C@@H](C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 OYIFNHCXNCRBQI-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00130 C8H15NO6 0.85093909 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 OVRNDRQMDRJTHS-CBQIKETKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) N-acyl-alpha-hexosamines (CHEMONTID:0002276) +0400_00131 C5H9NO4 0.85420725 CC(=O)OC[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 VZXPDPZARILFQX-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00132 C9H13NO2 0.85465249 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00133 C4H6N4O3 0.85474692 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0400_00134 C7H15N3O3 0.85662867 C(CCNC(=O)N)C[C@@H](C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 XIGSAGMEBXLVJJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00135 C8H15NO6 0.85779514 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-RTRLPJTCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0400_00136 C12H22O11 0.86035721 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0400_00137 C6H7N5 0.86152776 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0400_00138 C6H12O5 0.86371171 C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 MPCAJMNYNOGXPB-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0400_00139 C9H17NO4 0.86373592 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00140 C7H12O6 0.86701121 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 AAWZDTNXLSGCEK-LNVDRNJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0400_00141 C5H9NO4S 0.87264499 C([C@@H](C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 GBFLZEXEOZUWRN-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00142 C4H7NOS 0.87326594 C1CSC(=O)[C@H]1N InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1 KIWQWJKWBHZMDT-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00143 C6H5NO2 0.87698779 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00144 C8H8O2 0.89724562 COC1=CC=C(C=C1)C=O InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 ZRSNZINYAWTAHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0400_00145 C8H16N2O3 0.90305201 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00146 C8H11NO2 0.90424165 C1=CC(=CC=C1[C@H](CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 QHGUCRYDKWKLMG-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00147 C11H15N2O8P 0.90653375 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 DAYLJWODMCOQEW-TURQNECASA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyridine nucleotides (CHEMONTID:0001297) Nicotinamide nucleotides (CHEMONTID:0001268) NA (NA) NA (NA) +0400_00148 C7H16NO2 0.90715224 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0400_00149 C4H9NO2S 0.90724464 C(CS)C(C(=O)O)N InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) FFFHZYDWPBMWHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00150 C5H11NO2 0.90916656 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0400_00151 C6H14N2O 0.91000482 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0400_00152 C9H13NO3 0.91050984 CNC[C@@H](C1=CC(=C(C=C1)O)O)O InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 UCTWMZQNUQWSLP-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00153 C5H7N3O 0.91092011 CC1=C(NC(=O)N=C1)N InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0400_00154 C9H12N3O7P 0.91197261 C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 NMPZCCZXCOMSDQ-ZRTZXPPTSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0400_00155 C9H14N3O8P 0.91222854 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 UOOOPKANIPLQPU-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0400_00156 C3H5NO3 0.91947039 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00157 C6H10N2O4 0.98131489 CC(=O)N[C@@H](CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1 HXFOXFJUNFFYMO-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00158 C5H6N2O4 0.99480997 C1[C@H](NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 UFIVEPVSAGBUSI-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00159 C5H4N2O4 1.013533 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0400_00160 C6H6O4S 1.0249788 C1=CC(=CC=C1O)S(=O)(=O)O InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) FEPBITJSIHRMRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0400_00161 C5H5N5 1.0468469 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0400_00162 C9H13N3O5 1.0950868 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 UHDGCWIWMRVCDJ-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0400_00163 C9H14N3O7P 1.1039998 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 NCMVOABPESMRCP-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0400_00164 C9H15N4O8P 1.1084593 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 NOTGFIUVDGNKRI-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0400_00165 C5H11N3O2 1.1129898 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00166 C4H7NO3 1.1311808 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00167 C6H5NO2 1.1354302 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00168 C6H11NO2 1.1477944 C1CCN[C@@H](C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 HXEACLLIILLPRG-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00169 C6H6N2O2 1.1586063 C1=C(NC=N1)/C=C/C(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ LOIYMIARKYCTBW-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0400_00170 C9H13NO3 1.1590697 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00171 C4H6N2O2 1.1605138 C1CNC(=O)NC1=O InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) OIVLITBTBDPEFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00172 C4H4N2O2 1.1780641 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00173 C6H9NO5 1.2287519 CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00174 C7H7NO3 1.2513513 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00175 C5H11NO2S 1.2574553 [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3 FFEARJCKVFRZRR-OSIBIXDNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00176 C6H5NO2 1.2655783 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00177 C5H11NO2S 1.2710723 CSCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 FFEARJCKVFRZRR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00178 C9H11NO4 1.2873823 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00179 C9H13N3O4 1.2905895 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0400_00180 C10H13N4O8P 1.2980709 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0400_00181 C7H7NO3 1.3170674 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00182 C7H5NO4 1.3471462 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00183 C9H13N2O8P 1.3504506 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 JSRLJPSBLDHEIO-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0400_00184 C8H11NO2 1.3547403 C1=CC(=C(C=C1CCN)O)O InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) Catecholamines and derivatives (CHEMONTID:0000182) +0400_00185 C8H13NO6 1.3638872 C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1 GNISQJGXJIDKDJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00186 C5H4N4O 1.3837483 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0400_00187 C6H6N2O 1.4017233 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0400_00188 C10H13N4O9P 1.4091226 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 DCTLYFZHFGENCW-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0400_00189 C6H7NO 1.4217393 C1=CC=C(C(=C1)N)O InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 CDAWCLOXVUBKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0400_00190 C6H8O7 1.4332242 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0400_00191 C5H4N2O4 1.5067842 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0400_00192 C8H11NO3 1.5355242 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0400_00193 C7H7NO3 1.5440922 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00194 C7H7NO3 1.5440922 C1=CC(=C(C(=C1)N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11) IQGMRVWUTCYCST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00195 C5H7NO3 1.555746 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00196 C5H7NO3 1.5567192 C1CC(=O)N[C@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 ODHCTXKNWHHXJC-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) 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compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0400_00232 C5H6N2O2 1.8832988 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0400_00233 C6H13NO2 1.8875583 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5- ROHFNLRQFUQHCH-LONBSJBQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and 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compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0400_00237 C10H7NO2 1.9068689 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00238 C11H19NO8 1.9122418 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 MNLRQHMNZILYPY-MKFCKLDKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides 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InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 UGQMRVRMYYASKQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00242 C5H5NO 1.944314 C1=CC(=O)NC=C1 InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) UBQKCCHYAOITMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Pyridinones (CHEMONTID:0001160) NA (NA) +0400_00243 C6H6O3 1.9447825 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0400_00244 C6H11NO3 1.9467409 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00245 C10H12N5O6P 1.9541828 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0400_00246 C6H13NO2 1.9553969 CCCC[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 LRQKBLKVPFOOQJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00247 C6H5NO3 1.9581576 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00248 C6H13NO2 1.9702367 CC[C@@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 AGPKZVBTJJNPAG-UHNVWZDZSA-N Organic 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derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0400_00251 C6H10O3 1.9789921 C[C@@]1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1 JYVXNLLUYHCIIH-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0400_00252 C7H9N 1.9867783 C1=CC=C(C=C1)CN InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 WGQKYBSKWIADBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0400_00253 C10H12N5O7P 1.9895071 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 ZOOGRGPOEVQQDX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0400_00254 C6H10O3 1.9935699 CC1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 JYVXNLLUYHCIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0400_00255 C9H13NO2 1.9937413 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00256 C13H21N3O 2.0126521 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0400_00257 C8H11NO 2.0384457 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00258 C11H16N2O2 2.0419678 CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 QCHFTSOMWOSFHM-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0400_00259 C10H12N4O6 2.0909203 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1 UBORTCNDUKBEOP-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00260 C6H6N4O3 2.0987218 CN1C(=O)C2=C(NC(=O)N2)NC1=O InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12) QFDRTQONISXGJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00261 C4H5NO4S 2.1184862 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0400_00262 C6H6N4O2 2.1747404 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00263 C7H6O3 2.1890081 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00264 C10H12N2O3 2.203979 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0400_00265 C8H8O4 2.2288594 C1=CC(=C(C=C1O)CC(=O)O)O InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0400_00266 C15H23N3O4S 2.235128 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00267 C10H13N5O3 2.2535259 C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 XGYIMTFOTBMPFP-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0400_00268 C6H6N4O2 2.2825463 CN1C(=O)C2=C(NC1=O)N=CN2 InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) MVOYJPOZRLFTCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00269 C10H14N2O5 2.2879799 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0400_00270 C13H22N4O3S 2.3152821 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00271 C11H15N5O4 2.3303677 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0400_00272 C13H21NO3 2.3356622 CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 NDAUXUAQIAJITI-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0400_00273 C11H13NO3 2.3444555 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00274 C14H22N2O3 2.3480488 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00275 C6H11NO3 2.3596654 CCCC(=O)NCC(=O)O InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) WPSSBBPLVMTKRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00276 C6H6O4 2.3642387 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0400_00277 C6H8N2O2 2.3837482 CN1C=CC(=O)N(C1=O)C InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0400_00278 C7H7NO2 2.405213 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00279 C9H10N2O5 2.436641 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 FBTSQILOGYXGMD-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00280 C11H13N3O 2.4408008 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 JLSKPBDKNIXMBS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00281 C7H8N4O3 2.4723269 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00282 C7H8N4O2 2.4968001 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00283 C9H10N2O4 2.5016855 C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1 GTVVZTAFGPQSPC-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00284 C8H9NO2 2.5115442 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00285 C9H17NO5 2.5628484 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) +0400_00286 C9H17NO5 2.5650445 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0400_00287 C7H7NO3 2.5711124 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00288 C5H8O4 2.5791297 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00289 C7H6O5 2.5875478 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00290 C8H17NO2 2.5940922 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00291 C9H13N 2.6078642 CNCCC1=CC=CC=C1 InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 SASNBVQSOZSTPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0400_00292 C10H15N 2.6141405 CN(C)CCC1=CC=CC=C1 InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 TXOFSCODFRHERQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0400_00293 C7H5NO3S 2.663483 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0400_00294 C6H8O4 2.667672 C(/C=C/CC(=O)O)C(=O)O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+ YHGNXQAFNHCBTK-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00295 C7H7NO3 2.6924572 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00296 C6H6O3 2.7664592 CC1=C(C(=O)C=CO1)O InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 XPCTZQVDEJYUGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0400_00297 C15H16O9 2.7750148 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0400_00298 C6H11NO3S 2.7791139 CSCC[C@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1 PYUSHNKNPOHWEZ-RXMQYKEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00299 C7H8N4O3 2.7796198 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00300 C9H9NO4 2.7971781 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00301 C7H8N4O2 2.7995767 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00302 C11H12N2O2 2.8110853 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D QIVBCDIJIAJPQS-HLTLGYGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00303 C11H12N2O2 2.8124479 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00304 C13H18O7 2.8162533 C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 NGFMICBWJRZIBI-UJPOAAIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0400_00305 C10H12N2 2.8169182 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00306 C6H6O2 2.8275327 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0400_00307 C6H10O4 2.8286675 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00308 C15H14O6 2.8448614 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 PFTAWBLQPZVEMU-DZGCQCFKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0400_00309 C11H15N5O3S 2.8468257 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0400_00310 C9H10O4 2.8653602 C1=CC(=CC=C1CC(C(=O)O)O)O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00311 C8H8O2 2.8680297 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00312 C11H14N2 2.8726186 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0400_00313 C5H10O3 2.8736542 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00314 C11H13NO4 2.8871717 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 CAHKINHBCWCHCF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00315 C8H7NO 2.8974498 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00316 C7H8N4O2 2.8978977 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00317 C7H11NO3 2.9006365 C/C=C(\C)/C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+ WRUSVQOKJIDBLP-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00318 C7H6O3 2.9133303 C1=CC(=C(C=C1C=O)O)O InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H IBGBGRVKPALMCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0400_00319 C10H9NO3 2.9242809 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00320 C13H16N2O5 2.9466831 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0400_00321 C8H9NO 2.9474896 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0400_00322 C6H10O4 2.967765 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00323 C7H13NO3 2.9740977 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00324 C14H15NO7 2.976551 C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 KUYNOZVWCFXSNE-BYNIDDHOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0400_00325 C7H13NO3S 2.9771112 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00326 C8H10N4O3 2.9986366 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00327 C7H8O3S 2.9989783 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0400_00328 C19H19N7O6 3.0054171 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00329 C12H14N2O2 3.0069323 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00330 C6H10O4 3.0183227 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00331 C16H18O9 3.0304438 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0400_00332 C7H7NO3 3.0356362 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00333 C10H7NO4 3.0371173 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00334 C6H8O4 3.0659942 C/C(=C\C(=O)O)/CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+ WKRBKYFIJPGYQC-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0400_00335 C7H13NO3 3.0748931 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00336 C7H6O3 3.1028889 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00337 C17H22N2O 3.1395578 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0400_00338 C11H17NO3 3.1425507 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0400_00339 C10H7NO3 3.1791622 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00340 C10H7NO2 3.2120519 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0400_00341 C17H23NO3 3.2208853 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16? RKUNBYITZUJHSG-PJPHBNEVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0400_00342 C9H9NO3 3.2244295 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00343 C21H31N3O5 3.2247238 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 RLAWWYSOJDYHDC-BZSNNMDCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00344 C9H9NO3 3.2259633 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00345 C8H10N4O2 3.2271192 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0400_00346 C8H8O3 3.2298726 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00347 C7H7NO2 3.2327022 COC(=O)C1=CN=CC=C1 InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 YNBADRVTZLEFNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0400_00348 C8H6O3 3.2381087 C1=CC=C(C(=C1)C=O)C(=O)O InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) DYNFCHNNOHNJFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0400_00349 C15H14O6 3.2541573 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0400_00350 C13H16N2O4 3.2707305 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 JFLIEFSWGNOPJJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00351 C9H8O4 3.287108 C1=CC(=C(C=C1/C=C\C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- QAIPRVGONGVQAS-RQOWECAXSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00352 C9H8O4 3.298166 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00353 C7H10O4 3.3007572 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0400_00354 C8H6O4 3.321438 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0400_00355 C6H10O2 3.3312709 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0400_00356 C8H8O4 3.3345074 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00357 C9H10N2 3.3367632 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0400_00358 C10H17NO5 3.3462236 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00359 C7H12O5 3.3511931 CC(C)[C@@](CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 BITYXLXUCSKTJS-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00360 C5H4O3 3.3546843 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0400_00361 C17H20N2O2 3.3635476 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00362 C10H17N3O6S 3.3651842 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0400_00363 C8H9NO 3.3827042 C1=CC=C(C=C1)CC(=O)N InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0400_00364 C7H11NO2 3.3904724 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0400_00365 C7H6O2 3.3910048 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0400_00366 C10H16N2O3S 3.415991 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0400_00367 C9H10O4 3.4175701 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00368 C6H6N4S 3.4260833 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0400_00369 C9H10O5 3.433755 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0400_00370 C16H19N3O4S 3.4505911 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0400_00371 C7H12O4 3.4551041 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00372 C7H12O4 3.4645169 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00373 C7H6O3 3.471433 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0400_00374 C10H11NO3 3.4851658 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00375 C10H17N 3.488355 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00376 C7H8O2 3.4901447 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0400_00377 C17H20N4O6 3.4971713 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0400_00378 C10H10N2O 3.5214713 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00379 C7H7NO2 3.5584558 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0400_00380 C14H18N2O5 3.5590861 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0400_00381 C6H12O3 3.5622704 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00382 C10H11NO3 3.564671 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0400_00383 C16H12O6 3.6162639 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3 QVYSSMFEUBQBEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0400_00384 C7H8O3 3.6275353 CCC1=C(C(=O)C=CO1)O InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 YIKYNHJUKRTCJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0400_00385 C8H8O4 3.640715 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0400_00386 C9H10O4 3.6455146 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0400_00387 C7H7NO2 3.6472189 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0400_00388 C8H9NO 3.6650812 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00389 C9H10O3 3.7021357 C1=CC=C(C=C1)C[C@H](C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 VOXXWSYKYCBWHO-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00390 C9H8O3 3.7629304 C1=CC(=CC=C1/C=C/C(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ NGSWKAQJJWESNS-ZZXKWVIFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00391 C8H7NO 3.7629534 C1C2=CC=CC=C2NC1=O InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) JYGFTBXVXVMTGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0400_00392 C13H16N2O2 3.8207232 CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1 DABYEOZXRSTEGL-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00393 C9H10O3 3.8423436 CC(C1=CC=C(C=C1)O)C(=O)O InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) ZHMMPVANGNPCBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0400_00394 C8H7NO 3.846806 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0400_00395 C10H10O4 3.8716479 COC1=C(C=CC(=C1)/C=C/C(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00396 C10H18N2O3 3.8832181 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 AUTOLBMXDDTRRT-JGVFFNPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00397 C8H15NO3 3.8986267 CC(C)C[C@@H](C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 WXNXCEHXYPACJF-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00398 C11H11NO3 3.9341443 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00399 C6H12O3 3.9361005 CC(C)C[C@@H](C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 LVRFTAZAXQPQHI-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0400_00400 C10H13N5 3.9396032 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0400_00401 C13H14N2O3 3.9584573 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00402 C13H14N2O3 3.9624454 CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1 DZTHIGRZJZPRDV-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00403 C11H13NO3 3.9944111 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00404 C13H14N2O3 4.0039262 C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1 FBDCJLXTUCMFLF-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00405 C13H16N2O2 4.0498017 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00406 C8H15NO3 4.0807671 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00407 C9H7NO2 4.0843504 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0400_00408 C11H11NO3 4.0884332 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00409 C8H8O3 4.0919674 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0400_00410 C8H10O3 4.1329621 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0400_00411 C14H12O3 4.1508658 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ LUKBXSAWLPMMSZ-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0400_00412 C6H5NO3 4.17794 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0400_00413 C11H11NO3 4.1801859 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ YAADMLWHGMUGQL-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00414 C9H6O2 4.1937368 C1=CC=C2C(=C1)C=CC(=O)O2 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0400_00415 C10H9NO2 4.2097332 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00416 C10H11NO 4.2245595 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00417 C10H9NO2 4.2248575 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00418 C15H10O8 4.2726535 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0400_00419 C10H12O5 4.2960453 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 ZTHYODDOHIVTJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0400_00420 C7H12O4 4.3184333 CCOC(=O)CC(=O)OCC InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 IYXGSMUGOJNHAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0400_00421 C16H21NO2 4.3267018 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0400_00422 C9H10O4 4.360249 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00423 C17H21NO 4.3731172 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0400_00424 C9H8O3 4.383005 C1=CC(=CC(=C1)O)/C=C/C(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ KKSDGJDHHZEWEP-SNAWJCMRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0400_00425 C9H6O2 4.3935935 C1=CC=C(C=C1)C#CC(=O)O InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) XNERWVPQCYSMLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0400_00426 C9H11NO2 4.4008918 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0400_00427 C17H19N3O3S 4.4154925 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0400_00428 C12H21N 4.4218849 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0400_00429 C9H9NO 4.4291662 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0400_00430 C16H28N2O4 4.4333826 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0400_00431 C19H21NO 4.4392747 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- ODQWQRRAPPTVAG-BOPFTXTBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0400_00432 C8H8O 4.4636139 C=CC1=CC=C(C=C1)O InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 FUGYGGDSWSUORM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Styrenes (CHEMONTID:0000037) NA (NA) NA (NA) +0400_00433 C12H24O11 4.4664744 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1 VQHSOMBJVWLPSR-WUJBLJFYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0400_00434 C23H32N6O4S 4.4684405 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00435 C8H8O4 4.4773573 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0400_00436 C16H22O11 4.4981694 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1 LPTITAGPBXDDGR-IBEHDNSVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Pentacarboxylic acids and derivatives (CHEMONTID:0002995) NA (NA) NA (NA) +0400_00437 C12H10N4O2 4.5016948 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0400_00438 C22H26N2O4S 4.5272895 CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 HSUGRBWQSSZJOP-RTWAWAEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0400_00439 C27H38N2O4 4.5438768 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0400_00440 C9H14O5 4.5574725 CCOC(=O)C(C)C(=O)C(=O)OCC InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3 OQOCQBJWOCRPQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0400_00441 C9H16O4 4.5602264 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00442 C11H9NO2 4.5912973 C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- PLVPPLCLBIEYEA-WAYWQWQTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0400_00443 C26H29N3O6 4.5984881 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ZBBHBTPTTSWHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0400_00444 C8H15NOS2 4.6034822 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0400_00445 C8H14O4 4.6129439 CCOC(=O)CCC(=O)OCC InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 DKMROQRQHGEIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0400_00446 C18H24O3 4.6146436 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0400_00447 C11H11NO2 4.6259391 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0400_00448 C15H29NO4 4.6498443 CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1 CXTATJFJDMJMIY-CYBMUJFWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00449 C19H32N2O5 4.6582819 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1 IPVQLZZIHOAWMC-QXKUPLGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0400_00450 C8H7N 4.7018102 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0400_00451 C17H21NO 4.7188829 CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 VHGCDTVCOLNTBX-QGZVFWFLSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0400_00452 C19H24N2 4.7707258 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0400_00453 C20H31NO 4.77473 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2 HWHLPVGTWGOCJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0400_00454 C37H67NO13 4.8223925 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0400_00455 C11H11NO2 4.8456034 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00456 C20H23N 4.848747 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0400_00457 C21H28O5 4.869607 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00458 C16H29N3O6S 4.8798841 CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 HXJDWCWJDCOHDG-RYUDHWBXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0400_00459 C9H8O2 4.9186154 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0400_00460 C12H13NO2 4.9221186 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0400_00461 C10H18O4 4.9609664 C(CCCCC(=O)O)CCCC(=O)O InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CXMXRPHRNRROMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00462 C11H14O2 5.0049953 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00463 C10H10O2 5.0164603 COC1=CC=CC=C1/C=C/C=O InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+ KKVZAVRSVHUSPL-GQCTYLIASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0400_00464 C21H30O5 5.0236442 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1 JYGXADMDTFJGBT-CZFMHFDVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00465 C10H20O3 5.0632967 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0400_00466 C12H18N2O3S 5.1092847 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0400_00467 C14H16N2O2 5.1379064 CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 NPUKDXXFDDZOKR-LLVKDONJSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0400_00468 C8H16O3 5.1832033 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0400_00469 C21H26N2S2 5.1940878 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0400_00470 C12H13NO2 5.2117638 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0400_00471 C10H19NO3 5.2158971 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0400_00472 C17H33NO4 5.2458166 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3 LZOSYCMHQXPBFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0400_00473 C10H12O3 5.2475873 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0400_00474 C17H18N2O6 5.2799077 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0400_00475 C8H8O3 5.2903502 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0400_00476 C21H30O4 5.3131685 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 OMFXVFTZEKFJBZ-HJTSIMOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00477 C23H32O6 5.3156671 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 ALEXXDVDDISNDU-JZYPGELDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0400_00478 C21H30O4 5.3293303 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0400_00479 C15H14O4 5.3521946 CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3 RYWSYCQQUDFMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0400_00480 C16H14O3 5.3733139 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) diff --git a/processed_data/0400/0400_validation_qspr_outliers.tsv b/processed_data/0400/0400_validation_qspr_outliers.tsv new file mode 100644 index 000000000..64f2c902b --- /dev/null +++ b/processed_data/0400/0400_validation_qspr_outliers.tsv @@ -0,0 +1,16 @@ +id error +0400_00189 1.692086484131993 +0400_00199 1.5948259145955417 +0400_00210 1.5480072456790157 +0400_00237 1.4142456577099356 +0400_00258 2.210622257943214 +0400_00263 1.9668395430613672 +0400_00270 1.4212727948077197 +0400_00273 1.845387190774137 +0400_00353 1.3423736495913519 +0400_00360 1.5424770889886814 +0400_00362 1.9303840240795485 +0400_00433 2.170064035998653 +0400_00450 1.5864795121594493 +0400_00458 1.5733331451978976 +0400_00475 1.400327755532437 diff --git a/processed_data/0401/0401_descriptors_canonical_success.tsv b/processed_data/0401/0401_descriptors_canonical_success.tsv new file mode 100644 index 000000000..6db0cc369 --- /dev/null +++ b/processed_data/0401/0401_descriptors_canonical_success.tsv @@ -0,0 +1,534 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0401_00001 11.993426859997017 14.009812396457065 -0.36377748676509886 0.028492336180616192 4.735540077971071 7.450655696460586 1 -0.6820000000000002 202.34063139549454 1 11 2.12 0 14 13 4 40 0 0 -1.5038000000000005 2.2614144400000016 62.5574 0 0 0 0 0 0 0 0 0 0 0 0 0.37633073147832924 50 455 11 26.828469012655187 1.9163192151896562 10.752713339054845 0 10.752713339054845 4.700439718141093 76.1 0.8571428571428571 0.46153846153846156 0 0 0 0 12.295386033087754 0 0 0 0 0 0 0 0 0.07692307692307693 0.6666666666666667 0 0.19999999999999996 0 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 13 13.090909090909092 1 1339.04 0 254 10.485281374238571 6.914213562373096 4.535533905932738 2.957106781186548 1.9142135623730954 1.2285533905932737 0.7803300858899107 0.48927669529663687 9.22576835024473 5.730710143300821 3.491563831562721 2.072461852836958 1.2041241452319316 0.737167653187317 0.44045042026428427 0.25430713129702165 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 4 0 0 636.3780069252568 611.1863491739991 570.1239485687014 521.8515081620001 470.73048309737595 15.439921205105923 13.997091599082674 12.997091599082674 11.997091599082674 11.05232446891385 0.19004106894119835 -0.08732717662131029 0.003313053280621518 -0.06233911822184973 0.04348846761029397 4 4 28.42338199999999 39.336617999999994 +0401_00002 11.993550775296416 14.009509943753866 -0.3637650936360762 0.028282314790975326 4.725352076065344 7.030231135794029 1 -1.012 131.21951781687446 0 6 1.79 0 9 8 3 26 0 0 -1.7489999999999994 3.059000999999998 40.3238 0 0 0 0 0 0 0 0 0 0 0 0 0.48855346872151456 30 120 6 16.82976753783411 1.8699741708704565 7.748731733130747 0 7.748731733130747 4 64.07 1 0.5 0 0 0 0 6.120463943040977 0 0 0 0 0 0 0 0 0.12499999999999997 0.5 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 8 8 1 553.03 0 96 6.949747468305834 4.414213562373095 2.767766952966369 1.7071067811865475 1.0303300858899105 0.6035533905932737 0.33838834764831843 0.17677669529663687 5.897341225498536 3.5236033621142737 2.034457050376173 1.1153550716504106 0.5791241452319316 0.3211142625940433 0.16456207261596578 0.07216878364870323 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-0.12809466622268176 5 7 49.58390099999999 80.34409899999997 diff --git a/processed_data/0401/0401_descriptors_isomeric_success.tsv b/processed_data/0401/0401_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..93a489096 --- /dev/null +++ b/processed_data/0401/0401_descriptors_isomeric_success.tsv @@ -0,0 +1,534 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0401_00001 11.993426859997017 14.009812396457065 -0.36377748676509886 0.028492336180616192 4.735540077971071 7.450655696460586 1 -0.6820000000000002 202.34063139549454 1 11 2.12 0 14 13 4 40 0 0 -1.5038000000000005 2.2614144400000016 62.5574 0 0 0 0 0 0 0 0 0 0 0 0 0.37633073147832924 50 455 11 26.828469012655187 1.9163192151896562 10.752713339054845 0 10.752713339054845 4.700439718141093 76.1 0.8571428571428571 0.46153846153846156 0 0 0 0 12.295386033087754 0 0 0 0 0 0 0 0 0.07692307692307693 0.6666666666666667 0 0.19999999999999996 0 0 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 13 13.090909090909092 1 1339.04 0 254 10.485281374238571 6.914213562373096 4.535533905932738 2.957106781186548 1.9142135623730954 1.2285533905932737 0.7803300858899107 0.48927669529663687 9.22576835024473 5.730710143300821 3.491563831562721 2.072461852836958 1.2041241452319316 0.737167653187317 0.44045042026428427 0.25430713129702165 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 4 0 0 636.3780069252568 611.1863491739991 570.1239485687014 521.8515081620001 470.73048309737595 15.439921205105923 13.997091599082674 12.997091599082674 11.997091599082674 11.05232446891385 0.19004106894119835 -0.08732717662131029 0.003313053280621518 -0.06233911822184973 0.04348846761029397 4 4 28.42338199999999 39.336617999999994 +0401_00002 11.993550775296416 14.009509943753866 -0.3637650936360762 0.028282314790975326 4.725352076065344 7.030231135794029 1 -1.012 131.21951781687446 0 6 1.79 0 9 8 3 26 0 0 -1.7489999999999994 3.059000999999998 40.3238 0 0 0 0 0 0 0 0 0 0 0 0 0.48855346872151456 30 120 6 16.82976753783411 1.8699741708704565 7.748731733130747 0 7.748731733130747 4 64.07 1 0.5 0 0 0 0 6.120463943040977 0 0 0 0 0 0 0 0 0.12499999999999997 0.5 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 8 8 1 553.03 0 96 6.949747468305834 4.414213562373095 2.767766952966369 1.7071067811865475 1.0303300858899105 0.6035533905932737 0.33838834764831843 0.17677669529663687 5.897341225498536 3.5236033621142737 2.034457050376173 1.1153550716504106 0.5791241452319316 0.3211142625940433 0.16456207261596578 0.07216878364870323 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 2 0 0 360.35949180627455 335.40901189379895 294.93071681494155 247.7540633994142 198.620436038086 10.079940903829442 8.664727732721781 7.66472773272178 6.66472773272178 5.719960602552962 0.12592207975406627 -0.052637297792852256 6.870435920283569e-4 -0.06490415247182342 0.07878802405412978 3 3 17.924518999999997 25.195481000000004 +0401_00003 11.993511800588655 14.009510910968986 -0.36389933378852 0.0272937856596219 4.739145586480023 7.207354789106415 1 -0.6540000000000001 145.24613522131403 0 7 1.9 0 10 9 3 29 0 0 -1.169 1.3665610000000001 44.9676 0 0 0 0 0 0 0 0 0 0 0 0 0.44138142663054775 34 165 7 18.82909733129015 1.882909733129015 7.770273602762627 0 7.770273602762627 4.169925001442312 64.07 0.8 0.4444444444444444 0 0 0 0 7.87963742121468 0 0 0 0 0 0 0 0 0.1111111111111111 0.447213595499958 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 9 9.142857142857142 1 694.03 0 122 7.65685424949238 4.914213562373096 3.121320343559643 1.9571067811865475 1.2071067811865475 0.7285533905932737 0.42677669529663687 0.23927669529663687 6.604448006685086 4.023603362114273 2.388010440969447 1.3653550716504106 0.7463996399133722 0.40950261024236173 0.22706207261596578 0.11636295747286243 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 3 0 0 417.9234435499575 392.780553478821 351.79898187170437 303.69755367211934 253.02622579833996 11.079940903829442 9.664727732721781 8.664727732721781 7.66472773272178 6.692344167637371 0.12472658805698067 -0.05538187766863962 0.0011314849349904669 -0.028439465209357206 0.005746674283393799 3 3 20.110932999999996 28.289067000000006 +0401_00004 11.993387150972232 15.994919684301658 -0.364166387658474 0.19664223269308767 4.026008306723545 7.48169820806833 0.9166666666666666 -0.40600000000000014 244.3773896242915 1 13 2.2300000000000004 3 16 16 3 45 0 0 -1.4823999999999997 2.197509759999999 72.00120000000001 0 0 0 0 0 0 0 0 0 0 0 0 0.32420749196054666 64 802 14 32.66156166227796 1.921268333075174 13.630332840572837 2.382071268920991 11.248261571651847 5 79.18 0.875 0.4666666666666667 0 1.3122499289135068 1 0 12.295386033087754 1.550489997239133 0 0 0 0 0 0 0 0 0.3864019448872137 0 0.5313292845913056 0 0 0 0 0 0 0 0 1 0 10 0 0 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17 14.0625 16 0.9166666666666666 1664.05 0 367 12.769738424614747 8.270055610029662 6.071609281238177 3.635027805014831 2.393576115431002 1.5675139025074154 1.020011362418864 0.6587569512537078 11.056666371518967 6.6301393886621645 4.185851610112443 2.419059881847004 1.4548698042205856 0.8961657828354433 0.5270999275167956 0.3155775854617454 0.2886751345948129 0.20412414523193154 0.14433756729740646 0.07216878364870323 0.051031036307982884 0.036084391824351615 0.4082482904638631 0 0 0 0.10206207261596577 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 7 4 0 0 770.2960648370098 752.1663986987693 734.439121530125 666.9920718411726 615.8128865485364 19.214390240646868 17.495365509395686 18.048827106462305 15.32918357621524 14.384416446046416 0.333811365130676 -0.16746696900707053 0.027173841021519003 -0.07208490474520887 0.06221810102857586 4 5 32.887795999999994 44.99220399999999 +0401_00005 11.993656828368499 14.009277650076255 -0.36388761949797593 0.02712948523670186 4.668014920393294 6.5742601049579825 1 -0.6260000000000001 88.15163904713349 0 3 1.68 0 6 5 2 18 0 0 -0.8342000000000005 0.6958896400000009 27.3778 0 0 0 0 0 0 0 0 0 0 0 0 0.5906920699574171 18 35 3 10.839150429449553 1.8065250715749255 4.776650429449553 0 4.776650429449553 3.321928094887362 52.04 0.6666666666666666 0.4 0 0 0 0 3.965406456500188 0 0 0 0 0 0 0 0 0.19999999999999996 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 5 5.333333333333333 1 259.02 0 38 4.82842712474619 2.914213562373095 1.7071067811865475 0.9571067811865475 0.5 0.25 0 0 3.9831276631254413 2.3164965809277263 1.2844570503761732 0.6582482904638631 0.2886751345948129 0.08333333333333333 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 203.36592372656267 179.31289676562517 141.05480828125013 98.09169998437508 56.58034301562505 6.719960602552961 5.33236386636089 4.3323638663608905 3.3323638663608905 2.3323638663608905 0.059412535501490754 -0.023431328830365583 -9.708484950748941e-4 0.006168861866109167 -0.028735419255670483 2 2 11.798484 17.241516 +0401_00006 11.993598157147408 14.009278376145552 -0.3638928169699394 0.027115410821806962 4.7128184735665055 6.929514916272301 1 -0.2680000000000001 102.17825645157308 0 4 1.7899999999999998 0 7 6 2 21 0 0 -0.37799999999999967 0.14288399999999976 31.9788 0 0 0 0 0 0 0 0 0 0 0 0 0.5096180189123705 22 56 4 12.833788777097872 1.8333983967282674 4.802538777097871 0 4.802538777097871 3.584962500721156 52.04 1 0.5 0 0 0 0 5.6762400186093895 0 0 0 0 0 0 0 0 0.16666666666666669 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 6 6 1 358.02 0 54 5.535533905932738 3.414213562373095 2.060660171779821 1.2071067811865475 0.6767766952966369 0.35355339059327373 0.17677669529663687 0 4.690234444311989 2.8164965809277263 1.638010440969447 0.9082482904638631 0.46545182989144973 0.20412414523193154 0.05892556509887897 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 0 0 259.14526693164083 234.41747867578147 194.45748180468763 148.34296185937512 101.43586251171882 7.719960602552961 6.33236386636089 5.33236386636089 4.3323638663608905 3.3323638663608905 0.05927520183198108 -0.02410499750047903 -0.004307773451349868 0.003687308127458671 0.006548352179130562 2 2 13.984898 20.335102000000003 +0401_00007 11.993731986646475 14.009276924804189 -0.3637538711797121 0.028120910949165173 4.578350866131779 6.217007331654515 1 -0.9840000000000001 74.1250216426939 0 2 1.57 0 5 4 2 15 0 0 -1.4142 1.9999616399999998 22.734 0 0 0 0 0 0 0 0 0 0 0 0 0.7024420947447418 14 20 2 8.849873734152917 1.7699747468305833 4.724873734152916 0 4.724873734152916 3 52.04 1 0.5 0 0 0 0 2.381101577952299 0 0 0 0 0 0 0 0 0.25 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 4 4 1 176.02 0 24 4.121320343559642 2.414213562373095 1.3535533905932737 0.7071067811865475 0.35355339059327373 0 0 0 3.276020881938894 1.8164965809277263 0.9309036597828996 0.4082482904638631 0.11785113019775793 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 149.6947034062501 126.85710881250007 91.54535281250006 53.875447312500036 21.089908140625013 5.719960602552961 4.33236386636089 3.3323638663608905 2.3323638663608905 1.3599803012764806 0.06112194229212387 -0.020045001355279736 0.0013809366007458777 -0.0292673938881065 0.01737048749657842 2 2 9.612070000000001 14.14793 +0401_00008 11.9935980164575 14.00950897769699 -0.36339908439106294 0.07306421892059435 4.835589675100741 7.7395060240610345 0.4 -0.748 111.14525588948014 0 2 1.6799999999999997 5 6 8 1 17 0 0 -1.8250000000000002 3.330625000000001 33.538700000000006 0 1 1 1 1 0 0 1 0 0 0 0 0.4538185094936909 34 67 5 15.590105466466637 1.9487631833083296 8.354002920711498 0 8.354002920711498 4 50.41 0.6666666666666666 0.4 0 0 0 0 2.6207413942088964 2.8284271247461903 0 0 0 0 0 0 0 0 0.447213595499958 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.125 3.111111111111111 1.8 0.4 233.03 0.625 64 5.81999095630891 3.931851652578137 2.9391575887554255 2.171668296450265 1.7072863961405216 0.696923425058676 0.348461712529338 0.14433756729740646 4.593477965441931 2.6055497297410843 1.6155211979653412 0.9685282768352061 0.5769077953207494 0.20118175480452777 0.0774182735830915 0.02151657414559676 0.4330127018922194 0.6546479303772353 0.348461712529338 0.17673789520634603 0.19466513605593794 0.07995796065372915 0.20412414523193154 0 0 0 0.10206207261596577 0 0 0 0 0 0.14433756729740646 0.10206207261596577 0.07216878364870323 0 0 0.037267799624996496 0.026352313834736494 0.018633899812498248 0 0 1 1 0 1 1 0 0 330.25046460644546 344.76215354492206 389.0016681289064 205.42616590625008 137.98918064843758 9.079940903829442 8.830909665902226 10.024708033998262 5.498545799541335 4.692344167637371 0.15165198137508767 -0.09468235259695267 0.0283356661901472 -0.015881680117830636 -0.0015729383387788932 2 3 11.158863000000002 18.101137 +0401_00009 11.99355071714448 15.99491766470146 -0.3941639017056554 0.07332952455364937 4.264230406920296 8.11270367417771 0.5 -1.42 141.17127822148913 0 3 1.6800000000000002 5 7 10 1 21 0 0 -2.3357 5.45549449 39.501200000000004 0 1 1 1 1 0 0 1 0 0 0 0 0.500672576563707 44 128 8 19.419068796292947 1.9419068796292946 10.81247484232808 2.4020691914518526 8.410405650876225 4.321928094887363 70.64 1 0.5 0 0 0 0 2.144261316715227 4.687307279772606 0 0.4999999999999999 0 0 0 0 0 0 0.447213595499958 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 2 0 0 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8.1 4 2.6508875739644973 0.5 351.04 0.5 95 7.397341225498536 4.82569850269549 3.8996047205425297 2.907370556845781 1.981767491872877 1.0088619993562966 0.5690355937288492 0.3190355937288492 5.6180418301315145 3.163359119555119 2.22362404982336 1.271463742761808 0.7433361512832543 0.3224128214562713 0.13866279611918142 0.057040621188581525 0.8618680660540504 1.0764062751078378 0.9714045207910317 0.3213636092398481 0.34216429247372177 0.236389032869115 0.49279927982674443 0 0 0 0.2687287392826324 0 0 0 0 0 0.14433756729740646 0.10206207261596577 0.05892556509887897 0 0 0.037267799624996496 0.026352313834736494 0.015214515486254614 0 0 1 1 0 1 2 0 0 440.5467775163576 471.11871748999033 555.4729937246096 354.1508623579103 287.2918104560548 11.854409939370388 11.16300164303479 13.522981944311272 9.384099373740517 8.190618077950381 0.2440163431658944 -0.11325571365152577 -0.013045979795125947 0.009408405421209836 -0.02314985210269473 3 4 13.345277 21.996723 +0401_00010 11.993550775296416 14.009509943753866 -0.3633991654637295 0.07555370324337077 4.9145647961720496 8.368256436796512 0.5 -0.44400000000000006 125.17187329391972 0 2 1.79 5 6 9 1 20 0 0 -1.6190999999999995 2.6214848099999983 38.43540000000001 0 1 1 1 1 0 0 1 0 0 0 0 0.332706351491449 40 90 8 17.470893626933083 1.9412104029925648 8.579535003275867 0 8.579535003275867 4.169925001442312 41.62 0.6666666666666666 0.4 0 1.3731780959380786 0.4999999999999999 0 2.6207413942088964 2.8284271247461903 0 0 0 0 0 0 0 0 0.19999999999999996 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20,44,54,57,71,89,123,125,134,138,153,235,341,347,357,361,369,392,396,432,461,480,481,487,508,543,550,555,581,599,612,626,627,689,692,699,719,725,727,763,769,785,791,810,812,843,850,854,871,877,881,897,898,899,918,936,948,954,963,968,974 +0401_00157 35,83,134,173,220,245,248,317,374,385,405,421,422,481,506,508,557,622,662,668,686,738,887,948,958,968 +0401_00158 70,89,134,139,146,153,245,252,269,311,326,330,338,374,379,388,405,443,452,459,460,461,465,467,480,481,492,508,523,524,525,539,560,564,596,609,615,626,657,690,716,727,765,791,805,816,833,887,919,928,952,968,974,1009,1012 +0401_00159 63,67,94,134,143,199,317,319,360,363,405,422,458,479,515,517,524,550,576,600,614,662,666,675,686,693,787,948,968,982,984,1017 +0401_00160 65,70,89,134,139,153,163,199,207,245,311,326,327,330,369,374,405,452,460,461,465,481,508,523,524,560,596,615,626,638,657,680,716,719,765,791,833,887,919,928,936,952,968,974,976 +0401_00161 20,57,94,144,153,154,223,259,280,341,355,421,480,481,508,553,596,603,626,670,692,697,704,727,780,783,880,915,916,948,954 +0401_00162 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0401_00163 20,77,94,107,153,167,180,207,225,231,424,436,458,481,504,508,512,516,602,613,626,637,673,727,739,762,778,797,897,913,948,960 +0401_00164 15,36,73,89,134,177,237,245,252,481,508,544,570,687,772,773,847 +0401_00165 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 +0401_00166 24,29,46,57,65,70,89,134,139,153,163,167,227,245,311,326,330,347,374,405,452,460,461,465,467,481,508,523,524,560,588,596,599,615,622,623,626,657,692,705,708,716,719,765,791,833,887,892,919,928,936,952,954,968,974,997 +0401_00167 20,66,69,94,107,115,118,134,141,153,207,242,271,345,348,441,480,481,493,508,626,635,727,803,909,915 +0401_00168 15,42,89,122,134,139,153,199,228,245,311,326,330,405,452,460,461,465,481,508,523,524,560,596,615,626,632,657,716,765,776,782,791,833,836,850,887,920,928,930,936,952,964,968,974,1019 +0401_00169 32,102,134,153,220,221,234,264,278,326,328,349,357,387,393,405,420,499,503,508,580,605,614,626,640,708,719,734,850,906,918,948,968 +0401_00170 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 +0401_00171 122,127,134,153,154,207,211,224,226,227,297,305,350,353,369,381,390,426,476,515,516,550,626,640,647,787,802,814,836,940,948,968,998 +0401_00172 15,20,26,88,89,94,171,213,279,318,490,508,570,599,600,626,675,719,727,819,822,836,855,936 +0401_00173 10,15,20,31,39,89,94,134,201,245,264,275,385,453,474,506,508,540,553,590,617,626,662,674,677,678,727,755,981 +0401_00174 20,77,118,153,270,272,360,364,424,436,480,481,508,516,630,632,633,643,727,762,778,913,948,960 +0401_00175 20,94,128,153,163,278,480,508,516,528,626,727,767,804,811,850,927,970 +0401_00176 15,20,32,89,94,123,139,233,237,276,404,427,451,473,474,508,590,614,626,662,677,727,770,772 +0401_00177 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0401_00178 20,94,134,160,177,195,252,304,366,387,395,405,445,469,479,508,510,551,611,626,662,727,787,850,968,973 +0401_00179 77,121,134,153,207,270,286,350,364,390,481,522,550,620,626,640,647,676,733,782,787,849,947,968,991 +0401_00180 20,31,86,94,134,137,223,245,351,456,489,506,508,513,626,662,672,727,731,766,866,928,930,968,971,981,997 +0401_00181 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0401_00182 98,122,134,153,159,207,211,227,270,297,350,390,516,522,550,620,626,640,647,676,733,782,787,802,940,947,948,968,998 +0401_00183 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0401_00184 25,134,146,172,192,236,280,508,532,550,609,620,626,640,676,733,947,968,971,972 +0401_00185 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0401_00186 2,15,134,201,226,233,245,350,424,506,508,553,559,569,628,662,723,766,981,1022 +0401_00187 24,54,57,64,67,73,89,120,125,129,132,134,139,153,163,165,168,170,244,245,256,269,300,302,309,311,319,326,327,330,337,339,346,347,364,369,374,405,412,422,435,461,466,475,481,486,492,506,508,524,532,555,562,565,582,600,615,626,631,638,660,662,669,680,686,692,719,720,763,783,785,787,791,792,797,860,868,876,887,889,900,905,915,919,936,954,968,974,988 +0401_00188 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0401_00189 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0401_00190 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0401_00191 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0401_00192 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0401_00193 20,94,107,134,153,167,207,341,480,508,511,516,522,602,626,673,727,739,742,762,797,902,948,960 +0401_00194 54,57,67,77,89,132,134,137,139,153,163,168,244,245,256,266,302,317,319,347,369,374,405,412,422,436,461,479,486,508,524,544,555,582,588,614,626,631,638,662,680,692,693,699,704,719,720,743,763,783,785,787,791,796,797,831,836,866,919,936,954,963,968,974 +0401_00195 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0401_00196 20,52,72,91,93,94,107,118,134,141,153,182,197,207,226,262,270,281,353,369,381,476,481,508,515,550,601,626,635,640,727,753,808,968,989 +0401_00197 14,20,94,134,153,207,254,390,479,480,508,511,626,675,727,779 +0401_00198 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0401_00199 75,96,134,265,283,315,353,372,481,487,519,550,626,640,675,699,887,968 +0401_00200 20,21,94,153,337,480,508,530,626,727,752 +0401_00201 20,21,94,107,118,120,141,153,207,231,250,291,313,347,402,430,475,480,481,485,508,530,544,545,626,635,640,727,752,797,850,950,1019,1022 +0401_00202 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0401_00203 15,54,57,89,122,134,139,153,155,161,167,169,236,245,266,277,347,434,446,452,461,506,508,524,555,569,582,584,588,612,626,657,662,692,693,743,763,766,784,791,805,806,836,850,920,930,936,952,954,964,968,974,1019 +0401_00204 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0401_00205 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0401_00206 54,57,89,96,103,132,134,135,139,153,163,164,184,223,245,256,266,302,307,319,337,347,368,369,374,405,412,422,461,506,508,524,555,582,585,588,592,626,631,638,662,680,692,693,696,698,719,727,743,763,783,785,791,796,867,919,936,943,954,968,974,981,990,1007 +0401_00207 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0401_00208 20,94,134,245,298,335,454,456,479,504,506,508,554,582,611,626,662,720,727,783,837,896,937,946,949,968,981 +0401_00209 10,20,68,94,134,211,265,293,322,328,431,433,456,481,487,508,550,626,640,699,727,781,849,858,872,887,928,968 +0401_00210 2,20,22,36,89,94,107,153,162,185,201,207,263,311,326,327,330,336,343,347,350,461,467,474,492,507,508,516,626,647,687,692,719,727,762,782,789,791,802,894,902,909,936,948,960,974 +0401_00211 15,19,54,56,57,65,89,122,134,139,153,161,172,266,318,319,347,349,361,405,422,436,445,446,452,461,481,486,508,524,525,555,558,566,580,584,588,625,626,629,678,690,692,693,728,743,755,760,763,783,784,791,836,850,887,920,930,936,954,960,964,968,974,975,1019 +0401_00212 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0401_00213 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0401_00214 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0401_00215 20,94,177,265,469,508,511,551,626,727,850 +0401_00216 20,68,83,94,107,109,114,118,132,134,141,153,207,211,231,240,279,283,304,353,481,487,508,511,534,545,550,563,587,626,635,640,726,727,781,825,859,887,898,968,1022 +0401_00217 20,34,89,134,139,153,163,199,207,219,311,319,321,326,327,330,341,342,369,374,384,405,422,432,461,481,508,524,567,578,626,638,652,665,680,711,719,727,783,791,842,887,919,936,968,974 +0401_00218 14,20,79,94,107,118,128,141,145,153,163,207,231,250,254,257,270,284,285,366,403,480,481,508,516,530,586,626,627,635,673,690,692,727,739,757,869,871,917,927,948,984,994,1015 +0401_00219 1,15,30,32,43,56,65,74,89,134,184,233,260,325,353,360,369,400,409,419,428,515,518,542,617,626,640,642,662,738,777,908,948,968,1021,1022 +0401_00220 15,134,201,245,439,486,506,508,524,526,650,662,680,686,727,806,849,948 +0401_00221 20,94,107,153,167,207,231,247,261,349,383,480,508,512,516,530,536,602,613,626,673,727,739,752,762,797,948,960 +0401_00222 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0401_00223 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0401_00224 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0401_00225 19,56,65,89,134,139,146,153,172,192,252,269,311,313,319,326,330,338,374,379,388,405,422,436,443,459,461,464,467,481,486,492,508,524,525,539,558,564,566,580,609,625,626,629,678,690,727,728,755,783,791,805,807,816,887,919,959,960,968,974,975,1009 +0401_00226 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 +0401_00227 6,14,19,20,44,56,65,69,89,94,107,118,124,134,139,141,153,158,163,172,192,207,231,250,263,306,319,321,363,369,374,405,417,422,436,447,461,464,481,486,508,524,525,540,558,566,580,625,626,629,635,638,678,680,690,719,727,728,755,783,788,789,791,887,915,919,936,949,959,960,968,974,975,1017 +0401_00228 20,94,128,153,215,270,294,366,439,480,501,508,516,548,626,693,727,871,927,944,948,994 +0401_00229 15,20,26,88,89,117,134,147,153,163,175,190,195,201,207,237,245,253,264,340,341,347,369,371,376,387,389,395,397,405,415,456,479,481,488,508,515,516,518,524,554,584,590,647,662,672,673,715,727,739,749,772,777,787,864,866,884,934,938,942,968,981,989,1022 +0401_00230 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0401_00231 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0401_00232 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0401_00233 20,124,138,153,171,207,272,282,294,347,362,387,423,434,497,508,511,526,536,575,627,640,700,727,776,827,833,888,916,919,948,994,1022 +0401_00234 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0401_00235 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0401_00236 49,134,153,178,226,270,281,360,440,443,516,550,620,626,640,676,697,733,786,802,812,894,947,948,968,970,998 +0401_00237 15,54,57,89,122,134,139,153,161,173,185,220,245,266,340,347,370,379,446,452,461,506,508,524,533,538,555,569,575,580,582,584,588,626,649,662,671,675,692,693,743,763,784,791,806,836,841,850,918,920,930,936,948,954,964,968,974,1019 +0401_00238 20,94,107,115,207,347,508,516,626,658,727,739,762,790,797,802,948,960,982 +0401_00239 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0401_00240 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0401_00241 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +0401_00242 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0401_00243 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0401_00244 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0401_00245 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0401_00246 67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 +0401_00247 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67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0401_00331 20,34,94,128,153,167,212,264,270,315,353,449,480,508,516,594,626,637,692,727,762,778,850,871,927,930,948 +0401_00332 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0401_00333 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0401_00334 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0401_00335 21,36,134,226,278,349,353,369,381,430,437,476,508,515,550,571,626,640,688,712,825,850,968,1015 +0401_00336 20,94,134,153,207,339,369,480,508,511,522,626,727,773,802,898,948 +0401_00337 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0401_00338 96,134,283,353,381,487,550,591,626,640,675,968 +0401_00339 20,94,107,134,153,167,207,251,270,281,310,311,407,508,516,550,558,602,620,626,640,673,676,727,733,739,762,781,797,819,842,947,948,960,968,970,989 +0401_00340 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0401_00341 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0401_00342 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0401_00343 20,94,107,153,207,231,261,480,508,530,541,594,626,677,682,727,752,755,802,948,956,967 +0401_00344 20,94,128,153,194,207,252,253,254,257,270,299,480,508,516,541,626,692,727,802,871,917,921,927,943,948,994 +0401_00345 20,94,107,153,167,188,207,231,363,415,508,512,516,523,526,602,613,626,673,727,739,762,797,881,915,948,960,992,995,1015 +0401_00346 8,20,89,90,94,96,134,170,186,220,272,285,347,363,383,389,425,435,461,473,479,487,503,508,531,550,562,607,626,635,654,662,666,677,678,713,714,719,724,727,762,786,790,797,802,839,872,892,896,914,936,968,974,984,995,1006 +0401_00347 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0401_00348 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0401_00349 10,11,14,20,26,38,64,88,93,94,107,113,134,136,141,152,153,159,199,203,207,231,245,247,261,274,289,297,306,310,321,349,357,374,383,393,405,410,426,461,475,480,481,506,508,511,512,516,518,530,550,580,582,593,602,606,613,615,625,626,635,662,673,676,727,739,752,789,821,860,866,879,887,889,893,897,943,960,968,1017 +0401_00350 20,35,94,107,110,118,141,153,207,231,250,254,363,447,481,484,508,552,626,635,727,855,915,949 +0401_00351 20,35,94,107,110,118,141,153,207,231,250,254,363,447,481,484,508,552,626,635,727,855,915,949 +0401_00352 20,94,126,153,257,373,419,433,469,480,486,504,508,523,557,626,727,762,850,904,948,1022 +0401_00353 1,20,31,57,68,96,134,158,181,211,283,314,322,353,374,487,508,516,550,576,626,640,675,724,727,749,782,968 +0401_00354 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +0401_00355 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 +0401_00356 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0401_00357 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0401_00358 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0401_00359 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0401_00360 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0401_00361 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0401_00362 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0401_00363 20,37,81,112,116,134,151,170,272,300,347,385,393,405,473,477,487,508,549,550,585,725,727,840,897,898,922,948,968,1004 +0401_00364 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0401_00365 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0401_00366 20,94,134,153,231,270,281,295,334,452,480,508,522,550,620,626,640,676,702,727,733,947,968,970 +0401_00367 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0401_00368 15,20,62,89,96,118,128,132,134,145,146,153,167,189,207,266,286,326,347,419,421,445,487,508,512,524,536,550,572,576,601,622,626,647,686,727,762,772,824,860,863,904,919,942,948,964,968,1000,1003 +0401_00369 20,31,68,94,96,112,134,211,222,252,278,285,349,456,465,487,503,508,550,563,626,727,850,881,910,928,968 +0401_00370 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 +0401_00371 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0401_00372 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0401_00373 20,62,89,94,96,107,113,134,145,153,207,231,244,270,285,341,349,366,380,421,425,440,449,481,487,508,512,516,520,522,530,550,588,602,626,656,673,702,727,739,807,887,901,940,968 +0401_00374 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0401_00375 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0401_00376 20,47,54,96,114,134,145,153,167,207,239,243,245,263,270,299,314,326,385,405,419,421,432,441,487,508,512,536,545,550,576,585,601,616,626,647,653,670,675,707,727,852,889,894,895,914,935,948,968,994,1000 +0401_00377 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0401_00378 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +0401_00379 20,62,96,134,145,153,249,270,341,421,429,440,446,481,487,508,522,550,588,702,727,874,901,968 +0401_00380 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0401_00381 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0401_00382 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0401_00383 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0401_00384 2,20,94,144,153,202,207,298,305,373,480,502,508,601,626,672,727,767,802,811,948,997 +0401_00385 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0401_00386 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0401_00387 15,20,79,89,94,121,134,153,172,245,264,301,374,381,422,479,480,493,497,508,528,530,547,553,562,626,647,660,662,709,727,743,752,773,778,789,803,887,913,952,972,976,981,1003,1008,1023 +0401_00388 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0401_00389 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0401_00390 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0401_00391 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0401_00392 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0401_00393 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0401_00394 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0401_00395 20,30,91,94,134,153,185,198,207,231,261,339,436,480,508,511,530,626,680,727,752,773,802,948 +0401_00396 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0401_00397 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0401_00398 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0401_00399 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0401_00400 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0401_00401 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0401_00402 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0401_00403 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0401_00404 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0401_00405 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0401_00406 20,31,68,94,96,134,211,265,315,387,442,456,481,487,508,550,626,699,727,887,928,941,968,992 +0401_00407 4,15,29,54,69,98,134,144,197,245,301,303,326,335,337,347,353,397,442,461,495,500,508,514,515,527,549,550,618,626,636,640,654,676,705,709,748,753,756,759,778,782,797,798,811,827,835,917,927,936,947,948,968,970 +0401_00408 52,67,95,119,134,153,245,326,419,452,461,464,508,547,626,638,640,642,652,717,776,803,863,869,899,948,968,993,994 +0401_00409 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0401_00410 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0401_00411 4,6,20,94,101,134,186,195,198,211,347,408,456,487,508,549,550,626,689,705,727,778,781,892,948,968 +0401_00412 20,64,96,134,135,141,153,182,196,207,272,310,347,372,383,389,407,408,479,481,487,491,503,505,508,544,550,603,635,654,662,663,714,727,762,763,778,786,797,812,863,893,896,907,948,951,968,989,994 +0401_00413 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0401_00414 14,20,94,107,118,128,141,145,153,157,186,207,226,231,250,257,270,284,285,366,387,403,427,480,481,508,516,530,566,626,627,635,673,690,692,727,739,757,871,917,927,984,997,1006 +0401_00415 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0401_00416 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0401_00417 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0401_00418 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0401_00419 1,10,15,25,55,96,134,201,242,245,272,277,309,440,487,495,498,503,506,508,539,550,662,742,786,797,968,986 +0401_00420 8,20,89,94,134,153,245,260,264,350,374,386,391,460,473,480,484,488,497,508,530,547,553,556,613,626,662,704,727,728,752,778,803,860,948,976,981,1008 +0401_00421 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0401_00422 20,39,47,49,94,107,153,167,207,508,516,527,602,623,626,655,673,727,739,762,797,802,842,948,960,987 +0401_00423 20,24,94,107,134,207,263,270,350,378,508,517,550,588,611,620,626,640,647,676,727,733,755,802,947,948,968 +0401_00424 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0401_00425 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0401_00426 105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0401_00427 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0401_00428 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0401_00429 20,28,33,83,94,96,107,115,134,153,207,244,248,272,366,372,383,389,479,487,503,508,516,522,550,554,603,626,654,662,684,714,727,739,762,778,786,790,797,802,812,886,893,896,948,968,978,982 +0401_00430 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 +0401_00431 20,35,62,94,96,107,134,145,153,196,207,208,230,270,390,421,487,508,531,550,558,588,626,678,727,900,968,976,989 +0401_00432 20,35,62,94,96,107,134,145,153,196,207,208,230,270,390,421,487,508,531,550,558,588,626,678,727,900,968,976,989 +0401_00433 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0401_00434 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0401_00435 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0401_00436 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0401_00437 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0401_00438 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0401_00439 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0401_00440 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0401_00441 134,138,180,242,417,453,505,508,550,620,626,637,640,657,676,733,771,792,947,950,968,989 +0401_00442 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0401_00443 20,94,153,186,353,387,390,508,591,626,719,727,750,839 +0401_00444 15,54,95,96,134,150,192,205,223,245,274,392,400,452,461,487,498,508,534,544,550,566,568,670,748,758,791,964,968,975,1001 +0401_00445 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0401_00446 20,77,94,107,153,196,207,254,390,508,531,626,662,727,948,994 +0401_00447 20,94,144,305,370,373,508,551,626,727,948,977 +0401_00448 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0401_00449 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0401_00450 20,21,30,87,91,93,94,107,134,139,141,147,148,153,207,226,262,270,281,304,347,353,369,371,381,430,435,476,497,508,515,550,551,598,601,626,634,640,712,717,727,735,737,808,825,842,845,850,855,908,968,976,989 +0401_00451 4,15,35,44,73,89,126,128,129,134,153,154,170,173,192,197,200,206,210,215,220,226,245,260,264,277,282,303,311,316,320,326,327,330,334,346,347,353,362,369,400,405,423,435,444,461,467,477,486,504,508,515,534,540,549,550,562,575,608,618,624,626,628,636,640,651,656,657,661,683,701,705,709,719,727,734,754,760,770,778,787,791,793,796,804,863,883,904,936,939,948,962,968,974,1023 +0401_00452 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0401_00453 20,153,171,185,257,343,347,361,505,508,544,640,663,727,800,948,967,994 +0401_00454 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0401_00455 20,23,62,134,151,153,211,219,229,245,328,347,353,389,396,430,442,473,508,515,544,592,626,640,648,727,752,879,897,948,968,994,1011 +0401_00456 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0401_00457 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0401_00458 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0401_00459 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0401_00460 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0401_00461 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0401_00462 5,15,20,40,82,89,92,108,122,134,140,151,153,154,171,201,207,240,252,254,263,268,347,365,433,474,481,492,505,508,516,540,544,587,597,663,686,687,688,727,740,741,762,767,776,802,878,891,896,914,948,960,968,994 +0401_00463 49,67,73,89,153,170,194,207,256,259,262,311,326,327,330,346,347,369,390,435,461,491,538,562,576,580,626,660,697,704,719,787,791,797,802,874,891,936,950,974,979,982 +0401_00464 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0401_00465 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0401_00466 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0401_00467 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0401_00468 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0401_00469 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0401_00470 5,15,26,52,89,139,153,198,212,263,280,326,414,452,461,468,478,626,677,710,711,719,823,828,836,855,883,936,954 +0401_00471 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0401_00472 20,26,37,67,73,80,89,96,97,129,134,144,153,196,199,245,254,260,300,301,339,343,347,348,375,381,410,439,456,460,487,504,505,508,516,524,525,543,549,550,551,574,612,641,655,658,666,670,677,727,733,762,773,778,787,812,844,846,847,886,941,948,955,968,972,980,982,985,1006 +0401_00473 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0401_00474 1,20,39,43,50,89,111,112,122,153,247,278,347,435,457,461,467,477,508,544,555,595,657,669,727,750,753,762,775,787,791,825,886,906,913,923,948,974,982,989 +0401_00475 20,28,63,66,92,94,96,134,136,145,207,415,421,487,498,508,522,536,550,575,626,671,676,727,841,909,968 +0401_00476 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0401_00477 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0401_00478 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0401_00479 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0401_00480 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0401_00481 20,53,61,62,73,89,92,96,105,114,123,130,134,138,144,145,151,153,168,206,220,236,242,243,254,255,270,300,301,347,349,380,391,417,421,430,432,433,453,455,487,506,508,515,526,544,549,550,562,566,583,587,588,590,637,638,657,662,670,674,709,718,726,727,746,749,750,781,840,844,858,863,874,879,931,948,968,989 +0401_00482 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0401_00483 20,139,153,343,347,455,475,505,508,530,544,640,663,727,948,991,994,1019 +0401_00484 9,15,20,52,62,89,94,115,147,153,160,188,190,207,223,231,237,258,347,408,420,473,475,476,478,505,508,516,518,524,539,544,551,596,612,619,626,647,663,664,673,677,727,752,764,771,772,776,802,827,850,854,863,902,948,964,971,981,994,1007,1009,1014 +0401_00485 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0401_00486 23,51,80,96,101,134,139,145,147,153,167,181,182,187,207,220,221,231,318,336,347,360,367,379,408,421,487,500,516,523,550,580,601,647,649,705,748,782,802,812,948,957,968,979,998 +0401_00487 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0401_00488 9,11,15,34,67,88,89,91,96,111,113,134,144,145,153,175,195,210,214,218,236,237,328,372,373,410,411,421,454,473,487,524,550,619,626,678,767,772,784,785,788,843,908,954,968,994,999,1005 +0401_00489 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0401_00490 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0401_00491 20,128,153,184,207,270,320,323,347,367,404,408,436,505,508,544,599,663,681,706,727,748,757,802,863,921,948,994 +0401_00492 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0401_00493 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0401_00494 14,20,62,69,94,107,110,118,128,141,145,153,159,207,231,242,250,257,270,274,283,284,285,327,342,354,363,366,380,403,440,474,480,481,508,516,530,556,626,627,635,673,680,690,692,727,739,755,757,778,826,871,878,915,917,923,927,948,984,994 +0401_00495 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0401_00496 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0401_00497 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0401_00498 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0401_00499 20,58,94,207,297,419,508,626,719,727,748,802,948,950 +0401_00500 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0401_00501 15,20,21,26,45,58,60,80,89,92,95,99,146,153,159,207,216,222,231,236,237,243,244,270,285,288,314,332,343,360,366,371,382,388,401,453,470,479,480,492,494,497,499,508,516,530,586,605,609,618,621,626,633,655,670,688,690,691,726,727,746,758,762,772,795,802,806,808,818,836,933,936,948,961,964,970,983 +0401_00502 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0401_00503 4,41,60,75,81,96,112,134,181,222,252,278,304,347,408,434,487,508,514,549,550,627,648,669,705,778,850,881,919,948,968,980,983 +0401_00504 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0401_00505 20,84,93,96,134,145,151,153,167,188,207,212,213,247,275,319,347,363,387,394,395,405,421,487,505,508,524,544,548,550,601,606,647,663,704,727,741,747,771,785,786,802,808,878,925,948,968,994 +0401_00506 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0401_00507 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0401_00508 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0401_00509 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0401_00510 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0401_00511 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0401_00512 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0401_00513 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0401_00514 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0401_00515 7,15,19,20,21,25,26,89,107,117,134,148,153,214,222,245,255,267,269,285,293,308,315,326,338,342,343,351,357,399,401,406,427,492,494,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,772,819,821,836,840,841,847,866,898,936,948,968,995,996,1021,1022 +0401_00516 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 +0401_00517 5,15,19,20,21,25,26,89,107,117,134,141,148,153,165,182,214,222,245,255,267,269,285,288,308,311,315,326,343,347,351,357,372,399,401,408,421,450,492,499,503,508,513,517,544,558,566,580,602,603,626,647,656,727,742,744,746,762,767,772,819,836,840,855,886,898,900,928,936,948,968,989,996,1014,1022 +0401_00518 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0401_00519 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0401_00520 17,20,21,44,51,96,130,134,155,164,220,347,360,367,370,447,476,487,508,515,520,550,569,576,616,671,689,705,725,727,739,744,762,828,886,946,948,968,993 +0401_00521 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0401_00522 15,20,26,44,58,60,77,89,94,136,153,161,173,175,207,222,229,231,243,244,261,276,285,318,330,332,343,382,401,453,480,492,499,508,530,605,609,618,626,655,670,677,686,690,726,727,746,752,758,762,769,772,795,802,806,818,836,883,922,933,936,941,948,957,964,971,983,1009 +0401_00523 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0401_00524 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0401_00525 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0401_00526 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 +0401_00527 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0401_00528 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0401_00529 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +0401_00530 4,20,21,33,80,94,134,153,165,185,191,204,220,223,227,247,294,332,360,405,421,438,455,457,461,480,487,488,493,506,508,513,518,519,529,530,591,593,594,615,626,638,660,662,681,685,689,727,752,756,786,802,835,846,849,855,880,901,915,936,948,968,976,978,991,993,994 +0401_00531 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0401_00532 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0401_00533 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 diff --git a/processed_data/0401/0401_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0401/0401_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..28cbd49cb --- /dev/null +++ b/processed_data/0401/0401_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,534 @@ +id bits.on +0401_00001 21,22,77,153,346,360,361,436,477,480,481,516,527,700,778,800,869,913 +0401_00002 21,22,77,153,346,360,436,481,516,527,700,778,800,869,913 +0401_00003 21,22,77,118,153,346,360,361,424,436,480,481,516,527,700,778,800,869,880,913 +0401_00004 20,21,22,77,153,169,172,250,270,272,346,360,361,371,436,477,480,481,508,516,527,632,633,643,700,727,762,778,800,869,913,948,960 +0401_00005 77,153,424,436,481,646,778,913 +0401_00006 77,153,241,424,436,481,556,778,864,913 +0401_00007 77,153,436,481,708,778,913 +0401_00008 77,88,115,117,134,153,195,356,387,395,405,479,481,545,662,669,786,787,913,968 +0401_00009 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 +0401_00010 20,35,77,134,153,247,273,319,356,387,395,405,481,524,576,686,786,862,913,925,947,948,968,986 +0401_00011 20,75,77,153,259,261,341,424,436,481,527,659,671,698,704,715,756,778,833,913,915 +0401_00012 20,77,94,107,118,141,146,153,207,210,231,250,301,390,481,491,508,626,635,637,726,727,779,849,859,1020 +0401_00013 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +0401_00014 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0401_00015 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +0401_00016 20,77,94,107,141,153,207,231,301,343,436,481,508,509,605,626,643,702,727,778,836,877,913 +0401_00017 19,20,138,141,153,202,207,225,231,269,387,438,481,508,547,606,688,700,713,718,727,771,776,778,813,833,919,932,948 +0401_00018 20,21,77,94,104,107,141,153,207,481,508,626,727,776,789,849 +0401_00019 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0401_00020 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 +0401_00021 19,20,94,107,134,141,153,207,213,247,319,326,387,395,405,481,486,508,524,576,626,686,705,727,741,776,789,925,947,948,968,986,989 +0401_00022 72,85,89,153,166,187,311,326,351,442,461,481,553,626,647,687,719,743,746,757,830,839,893,917,936,967,974 +0401_00023 72,85,89,153,166,179,187,229,232,311,326,442,461,481,553,626,647,651,687,719,743,746,830,839,936,967,974 +0401_00024 72,85,89,107,153,166,187,222,311,326,351,442,461,481,626,637,647,687,715,719,743,746,757,830,893,936,974 +0401_00025 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0401_00026 21,22,59,152,153,259,326,360,516,626,666,932 +0401_00027 20,94,107,141,153,165,207,217,231,481,508,515,545,626,727,771,776,778,789,982 +0401_00028 20,94,128,141,153,186,207,257,270,371,387,478,480,481,508,516,533,626,692,727,776,812,871,872,917,927,941,1006 +0401_00029 20,33,63,77,94,95,128,153,270,366,439,480,481,501,508,516,626,649,727,871,927,1019 +0401_00030 20,75,94,107,141,153,207,217,225,231,259,261,341,409,481,508,545,626,659,698,704,715,727,756,771,776,778,789,812,833,915,940 +0401_00031 6,29,77,102,134,146,152,153,171,182,195,220,234,264,326,328,330,387,393,405,420,481,580,596,605,626,640,708,719,746,948,968 +0401_00032 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 +0401_00033 57,72,76,89,109,153,166,173,177,187,266,347,351,442,461,481,508,553,555,588,626,634,647,687,692,719,743,763,830,839,917,936,954,963,967,974,982 +0401_00034 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 +0401_00035 153,326,626,666,700,718,833,916,919,932,948 +0401_00036 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 +0401_00037 138,238,833,902,919,948 +0401_00038 20,94,107,116,141,153,207,340,341,353,440,481,508,511,626,727,776,779,789 +0401_00039 20,34,45,94,107,141,146,153,168,197,207,217,231,236,255,481,508,522,626,675,727,743,776,789,875,889,948,1009 +0401_00040 57,77,153,163,266,347,430,442,481,508,588,626,636,692,763,913,954,981 +0401_00041 20,94,107,141,153,207,209,242,293,379,383,481,508,552,626,727,776,789,846,915,999 +0401_00042 45,77,92,139,146,153,236,413,481,508,609,626,913 +0401_00043 15,20,94,107,141,153,176,207,302,323,326,346,390,481,508,533,538,562,576,616,626,701,727,734,815,926 +0401_00044 20,77,94,153,281,480,481,508,530,613,626,727,752,913 +0401_00045 57,77,153,207,240,389,481,508,626,692,757,913,936,954 +0401_00046 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 +0401_00047 20,94,107,141,207,481,508,551,626,727,802,948,964 +0401_00048 20,94,107,141,207,383,481,508,626,634,727,802,948 +0401_00049 20,44,123,134,158,235,341,369,432,481,487,508,550,577,590,657,708,727,790,810,843,881,897,898,899,917,948,968 +0401_00050 35,43,70,72,86,89,134,139,146,153,166,177,215,217,236,297,347,351,442,461,481,508,555,573,608,609,626,662,687,719,777,872,917,936,963,974,994 +0401_00051 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 +0401_00052 20,193,259,341,423,481,661,756,948 +0401_00053 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 +0401_00054 20,94,105,107,113,141,153,207,210,217,231,246,341,440,481,508,530,583,626,727,776,789,940 +0401_00055 4,20,94,107,116,134,141,153,207,480,481,508,511,626,727,743,776,789 +0401_00056 20,94,107,134,141,153,207,343,480,481,508,511,512,626,702,727,953,1001 +0401_00057 20,94,153,156,259,261,268,313,341,480,481,508,626,651,659,727,756,862 +0401_00058 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 +0401_00059 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 +0401_00060 20,74,94,107,141,146,207,228,338,365,390,481,508,626,727,802,948 +0401_00061 20,21,77,94,118,130,153,343,353,446,480,481,508,530,626,649,727,752,982 +0401_00062 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0401_00063 15,20,32,69,89,94,199,411,437,438,508,587,626,662,676,677,727,776,818,936,964 +0401_00064 15,20,32,69,89,94,199,411,437,438,508,587,626,662,676,677,727,776,818,936,964 +0401_00065 15,20,32,33,89,94,194,216,438,508,560,626,645,662,677,727,742,776,818,936,964 +0401_00066 14,77,145,153,262,451,481,508,591,626,842,913,972 +0401_00067 57,153,266,347,378,430,508,540,566,588,600,626,692,700,718,763,833,919,932,948,954,981,994 +0401_00068 47,134,195,203,245,270,405,422,481,506,508,552,578,587,604,662,668,686,789,887,899,914,968 +0401_00069 89,562,626,719,936,962 +0401_00070 15,63,109,134,157,201,245,439,506,508,524,526,662,675,686,727,741,849,940,948 +0401_00071 22,85,89,153,187,197,212,218,268,311,326,351,442,461,562,612,626,647,689,719,743,757,936,974 +0401_00072 15,26,31,89,139,153,180,212,263,280,326,413,414,461,549,557,578,624,626,635,671,711,719,765,783,855,877,921,936 +0401_00073 15,26,31,39,89,126,139,153,212,263,280,301,326,390,414,461,475,549,557,626,711,719,797,806,809,855,877,936 +0401_00074 4,22,89,127,138,153,160,197,311,326,382,430,461,562,596,612,615,626,647,719,850,925,936,974 +0401_00075 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25,134,146,172,192,236,280,508,532,550,609,620,626,640,676,733,947,968,971,972 +0401_00185 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0401_00186 2,15,134,201,226,233,245,350,424,506,508,553,559,569,628,662,723,766,981,1022 +0401_00187 24,57,64,67,73,82,89,120,125,129,132,134,139,153,163,168,170,173,177,244,245,257,269,300,309,311,319,326,327,330,337,339,346,347,351,364,369,405,422,424,435,442,461,466,475,481,486,492,506,508,522,524,532,555,562,565,582,615,626,631,660,662,669,686,692,719,743,763,773,783,787,791,792,797,860,868,876,887,889,900,905,915,919,936,954,957,968,974,987,988 +0401_00188 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0401_00189 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0401_00190 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0401_00191 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0401_00192 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0401_00193 20,56,94,107,134,153,207,263,480,508,511,516,564,626,647,655,672,727,739,762,797,857,948,960,981 +0401_00194 57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 +0401_00195 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0401_00196 19,20,91,93,94,107,134,141,153,207,226,262,270,281,353,369,381,476,481,482,508,515,528,550,601,604,626,640,727,776,789,808,968,977,989 +0401_00197 14,20,94,134,153,207,254,390,479,480,508,511,626,675,727,779 +0401_00198 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0401_00199 75,96,134,265,283,315,353,372,481,487,519,550,626,640,675,699,887,968 +0401_00200 20,21,94,153,337,480,508,530,626,727,752 +0401_00201 20,21,82,94,107,141,153,203,207,217,231,261,347,430,475,480,481,485,508,530,544,545,626,640,727,752,776,789,797,850,950,1019,1022 +0401_00202 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0401_00203 15,57,89,109,127,128,134,139,153,167,169,173,236,245,266,277,283,314,347,413,434,440,442,452,461,506,508,524,555,569,588,620,626,657,662,687,692,743,763,764,766,806,814,816,824,932,936,952,954,964,968,974,980 +0401_00204 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0401_00205 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0401_00206 57,76,89,96,103,109,125,132,134,139,153,159,164,173,177,197,212,223,245,266,307,319,337,347,351,368,387,388,401,405,422,442,461,506,508,524,555,582,585,588,626,631,645,662,692,696,719,727,731,743,763,783,848,867,874,936,954,968,974,980,981,990,997,1007 +0401_00207 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0401_00208 20,94,134,245,298,335,454,456,479,504,506,508,554,582,611,626,662,720,727,783,837,896,937,946,949,968,981 +0401_00209 10,20,68,94,134,211,265,293,322,328,431,433,456,481,487,508,550,626,640,699,727,781,849,858,872,887,928,968 +0401_00210 20,29,33,85,89,90,94,107,121,153,168,179,187,207,263,265,267,311,326,347,432,442,461,467,474,492,508,516,522,622,626,632,634,647,654,687,719,727,743,762,802,822,936,948,960,974 +0401_00211 15,19,56,57,65,89,109,127,128,134,139,153,172,173,266,283,314,319,347,405,413,422,436,442,461,480,481,486,508,524,525,555,558,566,580,588,625,626,629,678,687,690,692,717,728,743,755,763,781,783,794,814,816,824,887,932,936,954,960,964,968,974,975,980,1021 +0401_00212 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0401_00213 15,20,80,89,94,134,199,201,245,264,411,429,508,554,626,662,677,727,772,842,954,1022 +0401_00214 15,20,33,35,89,94,134,201,245,248,264,422,508,554,626,645,662,677,727,737,772,1022 +0401_00215 20,94,177,265,469,508,511,551,626,727,850 +0401_00216 20,68,83,94,107,109,114,118,132,134,141,153,207,211,231,240,279,283,304,353,481,487,508,511,534,545,550,563,587,626,635,640,726,727,781,825,859,887,898,968,1022 +0401_00217 20,34,85,89,134,139,153,159,197,212,311,319,321,326,341,342,351,384,387,390,401,405,422,432,442,461,481,508,524,578,626,652,678,710,719,727,740,743,746,783,842,887,936,968,974,975,987 +0401_00218 20,56,94,105,107,128,129,131,141,153,207,217,231,254,257,270,365,366,375,399,480,481,508,516,530,583,612,626,674,692,727,739,757,776,789,812,829,871,917,927,947,948,994 +0401_00219 1,15,32,56,65,74,89,133,134,137,175,184,194,233,260,268,325,353,369,398,400,409,419,515,626,633,640,642,662,828,880,908,948,968,1006,1022 +0401_00220 15,134,201,245,439,486,506,508,524,526,650,662,680,686,727,806,849,948 +0401_00221 20,94,107,153,167,207,231,247,261,349,383,480,508,512,516,530,536,602,613,626,673,727,739,752,762,797,948,960 +0401_00222 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0401_00223 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0401_00224 85,89,134,139,153,159,167,169,197,212,227,236,245,277,285,311,326,351,361,387,390,401,434,442,452,461,506,508,524,569,626,630,657,662,710,719,743,766,806,936,952,968,974 +0401_00225 19,56,65,85,89,100,134,139,146,153,172,209,212,252,269,292,299,311,319,326,379,387,402,405,422,436,442,459,461,481,486,499,508,524,525,539,558,566,580,625,626,629,653,678,690,728,753,755,783,816,868,875,887,920,960,968,974,975,990,1009 +0401_00226 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 +0401_00227 19,20,51,52,56,65,69,81,89,94,107,121,134,139,141,153,155,159,172,197,206,207,212,217,231,310,319,351,363,387,401,405,417,422,436,442,461,481,486,508,524,525,540,558,566,580,621,625,626,629,653,658,678,690,701,711,719,727,728,755,776,783,789,819,887,915,935,936,960,968,974,975,990,1017 +0401_00228 20,94,128,153,215,270,294,366,439,480,501,508,516,548,626,693,727,871,927,944,948,994 +0401_00229 13,15,20,22,38,56,88,89,100,117,134,150,153,170,175,190,195,201,207,211,213,237,245,264,307,331,341,347,371,384,387,391,395,397,405,411,415,429,479,481,508,516,524,554,611,615,645,646,662,727,739,749,772,787,814,835,842,866,914,942,968,984,989,1009,1022 +0401_00230 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0401_00231 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0401_00232 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0401_00233 20,124,138,153,171,207,272,282,294,347,362,387,423,434,497,508,511,526,536,575,627,640,700,727,776,827,833,888,916,919,948,994,1022 +0401_00234 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0401_00235 20,41,94,107,141,153,207,228,254,326,365,481,490,508,626,727,802,835,875,948,994 +0401_00236 49,134,153,178,226,270,281,360,440,443,516,550,620,626,640,676,697,733,786,802,812,894,947,948,968,970,998 +0401_00237 15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 +0401_00238 20,94,107,207,247,370,508,516,626,657,686,727,739,762,797,802,948,960,973 +0401_00239 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0401_00240 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0401_00241 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +0401_00242 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0401_00243 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0401_00244 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0401_00245 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0401_00246 67,77,85,89,132,134,137,139,145,153,159,168,197,209,212,245,304,311,315,317,319,326,351,387,390,401,405,422,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,710,719,743,783,787,804,836,866,936,968,974 +0401_00247 15,31,85,89,127,134,139,153,167,169,236,245,277,283,311,314,326,413,430,434,440,442,452,461,506,508,524,569,620,626,657,662,742,764,766,806,814,824,936,952,964,968,974,980 +0401_00248 20,94,107,134,153,207,390,480,493,508,511,626,676,727,784,795,976 +0401_00249 20,94,107,134,153,207,277,313,390,398,480,508,511,626,694,727,943 +0401_00250 64,67,85,89,120,129,132,134,139,145,153,159,163,168,197,209,212,245,304,309,311,319,326,337,351,387,390,401,405,422,442,461,481,486,506,508,524,582,615,626,631,662,669,710,719,722,743,783,792,860,868,887,889,936,968,974,1004 +0401_00251 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0401_00252 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0401_00253 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0401_00254 20,62,94,107,141,153,206,207,217,231,481,508,529,545,626,727,771,776,778,789,826,948,994,1017 +0401_00255 15,47,89,134,226,245,260,294,467,506,508,604,662,675,709,723,776,779,789,836,874,948,981,1020 +0401_00256 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0401_00257 15,19,56,65,89,134,139,146,152,155,168,172,212,251,252,267,269,288,318,319,369,401,405,422,427,436,461,481,486,508,524,525,539,540,547,557,558,566,580,625,626,629,653,678,690,691,711,719,728,741,747,754,755,769,783,816,817,887,936,960,968,974,975,979,990,1009 +0401_00258 20,94,100,144,153,193,258,298,373,480,504,508,626,727,767,837,948,977 +0401_00259 20,94,107,153,196,207,231,329,390,480,508,509,530,531,626,707,727,752,778,787,884,892,976,1022 +0401_00260 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0401_00261 20,68,94,96,98,134,155,183,242,258,295,360,386,405,439,452,456,477,487,494,508,550,568,580,585,616,626,684,725,727,776,928,936,968,970,1012 +0401_00262 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 +0401_00263 20,29,50,52,64,94,107,118,134,141,153,207,322,354,372,383,479,481,506,508,515,522,541,550,626,635,640,654,662,676,727,762,778,797,812,833,849,893,896,921,947,951,968,974,989 +0401_00264 15,48,64,67,89,120,129,132,134,139,145,146,152,163,168,212,245,252,267,269,288,304,309,318,319,337,369,401,405,422,427,461,481,486,506,508,524,525,539,540,547,557,582,615,626,631,662,669,691,711,719,722,741,747,754,769,783,792,816,817,860,868,887,889,936,968,974,979,1004,1009 +0401_00265 20,94,153,270,272,360,409,480,508,516,517,530,626,632,633,643,727,730,752,762,778,948,960,976,990 +0401_00266 6,20,80,94,101,102,106,134,153,220,234,264,326,328,387,393,405,420,456,508,552,580,605,626,640,646,674,685,708,719,727,737,845,948,968 +0401_00267 10,108,134,189,245,311,346,394,416,452,479,485,508,662,744,766,968,1022 +0401_00268 62,77,96,134,145,153,171,191,270,400,421,481,487,550,588,968,1019 +0401_00269 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0401_00270 60,96,129,134,145,278,300,304,421,481,487,491,508,514,550,578,627,741,825,829,850,881,968,1010 +0401_00271 3,15,26,134,222,245,298,385,461,498,499,508,626,701,704,765,783,788,819,855,912,948,973,1012 +0401_00272 3,15,26,134,222,245,286,298,314,368,385,461,498,499,508,626,701,765,788,819,855,912,948,973,1012 +0401_00273 102,134,223,236,240,245,248,249,319,376,405,422,487,506,508,524,576,582,595,630,662,686,715,727,743,778,784,808,948,968,969,981,982 +0401_00274 73,134,153,283,328,353,487,521,546,550,592,626,640,781,968 +0401_00275 20,55,94,107,141,207,270,508,626,727,802,948 +0401_00276 77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0401_00277 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 +0401_00278 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0401_00279 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0401_00280 25,41,62,64,67,134,189,206,216,245,317,405,422,479,506,508,515,517,524,533,582,585,614,620,662,681,686,787,794,806,876,948,968,984 +0401_00281 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0401_00282 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0401_00283 19,56,65,89,126,134,139,155,159,172,212,260,319,367,382,401,405,422,436,461,481,486,524,525,558,566,580,625,626,629,647,653,678,690,719,728,755,783,878,887,936,948,960,968,974,975,989,990,998 +0401_00284 20,31,62,68,83,94,96,107,118,134,141,153,207,211,231,265,279,315,347,387,442,481,487,508,511,550,563,626,635,699,727,748,859,887,968,1001,1022 +0401_00285 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0401_00286 20,27,29,75,94,134,153,226,235,241,334,353,423,469,480,508,515,522,534,550,626,640,665,676,718,719,727,758,777,947,968 +0401_00287 34,35,75,134,144,151,153,170,196,207,226,227,251,279,326,350,353,373,390,403,420,515,516,544,550,605,626,640,647,677,689,714,719,771,772,867,906,948,963,968,977 +0401_00288 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0401_00289 15,31,85,89,127,134,139,153,185,220,245,283,301,303,311,314,326,340,379,413,430,442,461,477,506,508,524,533,569,575,582,626,638,649,662,671,675,742,806,814,824,874,918,936,948,964,968,974,980 +0401_00290 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0401_00291 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +0401_00292 20,57,94,107,108,146,153,207,326,347,435,508,571,576,588,626,692,727,747,845,899,954,961 +0401_00293 20,62,94,128,152,153,159,270,279,366,439,480,501,508,516,530,561,584,626,727,871,915,927,948,994 +0401_00294 20,64,96,134,141,153,207,256,269,272,287,341,372,383,389,407,479,481,487,503,508,530,550,601,603,615,654,662,714,727,762,776,778,786,797,812,893,896,947,968,989 +0401_00295 20,94,134,153,158,271,326,401,420,456,461,508,529,552,555,568,584,626,629,712,727,748,833,968,1002 +0401_00296 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0401_00297 19,20,91,94,107,134,138,141,153,207,226,270,281,304,353,412,417,453,474,481,482,508,515,528,550,626,640,657,697,710,727,766,776,789,808,819,937,968,971,977,989 +0401_00298 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 +0401_00299 20,72,94,107,134,138,141,153,180,207,242,250,270,281,324,343,417,453,481,485,508,550,558,626,637,657,702,727,771,792,850,906,968,989,1008 +0401_00300 20,94,107,134,153,207,402,480,508,511,541,602,626,650,677,727,802,948 +0401_00301 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0401_00302 62,96,134,145,153,178,263,270,360,421,440,443,487,516,550,588,697,786,802,812,851,894,948,968,998 +0401_00303 62,96,117,134,144,145,153,178,270,335,421,487,550,588,632,655,670,721,786,844,847,851,948,968,1012 +0401_00304 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0401_00305 20,94,118,144,145,153,207,270,313,326,360,390,423,467,480,482,502,508,516,530,535,541,554,626,669,681,688,727,752,763,857,888,917,948,977 +0401_00306 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0401_00307 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0401_00308 20,68,94,114,134,211,240,283,304,353,425,456,481,487,508,510,534,545,550,626,640,726,727,781,887,928,937,968 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96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0401_00318 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0401_00319 31,67,113,119,128,134,220,245,255,326,377,452,461,464,496,508,626,640,642,717,869,899,948,968,991 +0401_00320 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0401_00321 20,94,107,153,188,207,231,278,363,387,391,398,407,504,508,516,536,626,727,811,850,881,915,927,936,948,992,996,1015 +0401_00322 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0401_00323 15,54,85,89,93,134,153,167,192,197,200,216,220,245,274,300,301,303,311,326,347,351,353,397,400,442,452,461,493,508,515,533,544,557,562,566,567,568,602,626,640,674,689,705,719,743,748,765,810,839,845,936,938,968,974,1001,1012,1016 +0401_00324 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +0401_00325 134,409,550,620,626,640,676,733,947,968 +0401_00326 20,31,94,96,107,125,134,138,145,177,203,207,297,298,374,390,415,421,435,487,508,516,550,597,626,727,739,783,897,898,968,992 +0401_00327 25,70,85,89,93,96,134,153,181,197,200,216,220,300,311,326,347,351,408,420,433,442,448,461,487,493,533,550,557,562,602,605,626,689,696,705,719,742,743,765,936,945,956,968,974 +0401_00328 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 +0401_00329 20,35,94,107,134,153,196,207,208,270,281,390,508,531,550,558,613,620,626,640,676,678,727,733,819,947,968,970,976,989 +0401_00330 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0401_00331 20,34,94,128,153,167,212,264,270,315,353,449,480,508,516,594,626,637,692,727,762,778,850,871,927,930,948 +0401_00332 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0401_00333 3,15,17,40,73,89,129,134,182,214,226,228,231,259,288,337,353,369,371,381,394,413,415,444,461,476,494,503,511,515,534,540,550,552,564,588,594,626,640,676,750,759,888,904,936,947,951,968,1019 +0401_00334 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0401_00335 21,36,134,226,278,349,353,369,381,430,437,476,508,515,550,571,626,640,688,712,825,850,968,1015 +0401_00336 20,94,134,153,207,339,369,480,508,511,522,626,727,773,802,898,948 +0401_00337 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0401_00338 96,134,283,353,381,487,550,591,626,640,675,968 +0401_00339 20,56,94,107,134,153,207,270,281,508,516,550,558,620,626,640,647,655,676,725,727,731,733,739,741,762,797,819,947,948,950,960,968,970,978,989,992 +0401_00340 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0401_00341 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0401_00342 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0401_00343 20,94,107,153,207,231,261,480,508,530,541,594,626,677,682,727,752,755,802,948,956,967 +0401_00344 20,94,128,153,194,207,252,253,254,257,270,299,480,508,516,541,626,692,727,802,871,917,921,927,943,948,994 +0401_00345 20,94,107,153,167,188,207,231,363,415,508,512,516,523,526,602,613,626,673,727,739,762,797,881,915,948,960,992,995,1015 +0401_00346 7,20,37,89,90,94,96,134,149,164,186,195,204,220,247,272,285,300,347,383,389,461,479,487,493,503,508,533,550,557,562,607,626,654,662,666,677,678,714,719,727,762,777,779,786,797,799,802,865,892,896,936,964,968,974,984 +0401_00347 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0401_00348 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0401_00349 10,11,14,20,26,38,56,64,88,93,94,97,107,134,136,141,152,153,159,202,203,207,231,245,261,274,289,297,306,310,321,357,367,374,393,405,410,426,475,480,481,506,508,511,516,518,530,550,580,582,588,593,606,613,615,625,626,635,655,662,676,727,739,752,789,810,821,860,866,879,887,889,893,896,897,943,968,1005,1017 +0401_00350 20,35,94,107,110,118,141,153,207,231,250,254,363,447,481,484,508,552,626,635,727,855,915,949 +0401_00351 20,35,94,107,110,113,141,153,206,207,217,231,254,310,363,481,508,552,626,727,766,776,789,915 +0401_00352 20,94,126,153,257,373,419,433,469,480,486,504,508,523,557,626,727,762,850,904,948,1022 +0401_00353 1,20,31,57,68,96,134,158,181,211,283,314,322,353,374,487,508,516,550,576,626,640,675,724,727,749,782,968 +0401_00354 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +0401_00355 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 +0401_00356 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0401_00357 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0401_00358 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0401_00359 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0401_00360 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0401_00361 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0401_00362 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0401_00363 20,37,81,112,116,134,151,170,272,300,347,385,393,405,473,477,487,508,549,550,585,725,727,840,897,898,922,948,968,1004 +0401_00364 13,15,20,56,62,77,89,94,96,107,134,145,153,175,178,190,207,225,231,237,267,270,284,307,367,371,384,389,397,415,421,424,429,436,458,469,477,481,487,504,508,516,523,524,540,550,582,588,606,621,626,645,655,677,727,772,776,778,786,807,814,826,827,851,868,913,935,968,984 +0401_00365 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0401_00366 20,94,134,153,231,270,281,295,334,452,480,508,522,550,620,626,640,676,702,727,733,947,968,970 +0401_00367 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0401_00368 15,20,89,96,118,128,132,134,145,146,153,167,207,221,228,266,286,326,347,359,419,421,445,487,508,512,524,536,550,572,576,601,626,647,686,727,762,772,824,860,863,866,904,919,942,948,964,968,1000 +0401_00369 20,31,68,94,96,112,134,211,222,252,278,285,349,456,465,487,503,508,550,563,626,727,850,881,910,928,968 +0401_00370 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 +0401_00371 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0401_00372 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0401_00373 20,56,62,94,96,107,113,134,145,153,207,231,244,270,341,348,366,421,425,440,465,481,487,508,516,522,530,550,588,626,655,702,727,739,807,829,833,887,893,896,901,930,940,968 +0401_00374 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0401_00375 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0401_00376 20,47,54,96,114,134,145,153,167,207,239,243,245,263,270,299,314,326,385,405,419,421,432,441,487,508,512,536,545,550,576,585,601,616,626,647,653,670,675,707,727,852,889,894,895,914,935,948,968,994,1000 +0401_00377 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0401_00378 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +0401_00379 20,62,96,134,145,153,249,270,341,421,429,440,446,481,487,508,522,550,588,702,727,874,901,968 +0401_00380 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0401_00381 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0401_00382 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0401_00383 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0401_00384 2,20,59,80,86,94,144,153,207,298,305,373,379,480,508,626,727,767,802,896,948,1009 +0401_00385 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0401_00386 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0401_00387 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 +0401_00388 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0401_00389 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0401_00390 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0401_00391 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0401_00392 15,20,24,26,59,84,89,94,96,108,116,117,128,134,141,145,167,192,207,245,311,351,364,371,396,421,481,487,492,499,508,516,524,544,547,550,593,601,603,614,618,624,626,636,647,677,679,727,766,773,792,833,851,864,904,917,948,968,1007 +0401_00393 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0401_00394 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0401_00395 20,30,91,94,134,153,185,198,207,231,261,339,436,480,508,511,530,626,680,727,752,773,802,948 +0401_00396 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0401_00397 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0401_00398 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0401_00399 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0401_00400 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0401_00401 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +0401_00402 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0401_00403 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0401_00404 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0401_00405 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0401_00406 20,31,68,94,96,134,211,265,315,387,442,456,481,487,508,550,626,699,727,887,928,941,968,992 +0401_00407 4,15,29,54,69,98,134,144,197,245,301,303,326,335,337,347,353,397,442,461,495,500,508,514,515,527,549,550,618,626,636,640,654,676,705,709,748,753,756,759,778,782,797,798,811,827,835,917,927,936,947,948,968,970 +0401_00408 52,67,95,119,134,153,245,326,419,452,461,464,508,547,626,638,640,642,652,717,776,803,863,869,899,948,968,993,994 +0401_00409 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0401_00410 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0401_00411 4,6,20,94,101,134,186,195,198,211,347,408,456,487,508,549,550,626,689,705,727,778,781,892,948,968 +0401_00412 20,64,96,134,141,153,168,189,200,207,269,272,347,372,383,384,389,407,408,442,479,481,487,503,505,508,544,550,603,615,654,662,663,714,727,762,776,778,786,797,812,863,893,896,931,948,968,989,994 +0401_00413 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0401_00414 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 +0401_00415 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0401_00416 20,39,49,94,107,153,169,207,390,398,508,511,527,626,694,727,802,948,1010 +0401_00417 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0401_00418 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0401_00419 1,10,15,25,55,96,134,201,242,245,272,277,309,440,487,495,498,503,506,508,539,550,662,742,786,797,968,986 +0401_00420 20,89,94,134,153,169,245,260,264,391,462,473,480,497,508,530,547,553,556,606,626,662,727,752,757,778,781,803,829,904,907,942,948,954,976,981,1008 +0401_00421 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0401_00422 20,39,49,56,61,94,107,153,207,255,500,508,516,527,555,626,647,655,687,727,739,762,797,802,948,960 +0401_00423 20,24,94,107,134,207,263,270,350,378,508,517,550,588,611,620,626,640,647,676,727,733,755,802,947,948,968 +0401_00424 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0401_00425 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0401_00426 105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0401_00427 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0401_00428 20,47,51,64,94,96,107,134,153,207,272,292,303,372,383,389,398,407,479,487,503,508,516,521,550,603,626,654,662,714,727,739,762,778,786,797,812,827,893,896,927,948,960,968,989 +0401_00429 20,28,83,94,96,107,134,153,207,244,248,272,366,370,372,383,389,472,479,487,503,508,516,522,550,603,624,626,631,654,657,662,684,686,714,727,739,762,778,786,797,802,812,881,893,896,948,968,978 +0401_00430 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +0401_00431 20,62,94,96,107,118,134,145,153,207,230,270,278,317,390,398,421,487,508,550,558,588,626,686,694,727,968,989 +0401_00432 16,20,62,94,96,107,134,145,153,207,230,270,390,421,441,487,508,550,558,588,626,680,727,775,784,968,976,989,1012 +0401_00433 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0401_00434 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0401_00435 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0401_00436 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0401_00437 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0401_00438 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0401_00439 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0401_00440 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0401_00441 134,138,180,242,417,453,505,508,550,620,626,637,640,657,676,733,771,792,947,950,968,989 +0401_00442 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0401_00443 20,94,153,186,353,387,390,508,591,626,719,727,750,839 +0401_00444 15,54,95,96,134,150,192,205,223,245,274,392,400,452,461,487,498,508,534,544,550,566,568,670,748,758,791,964,968,975,1001 +0401_00445 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0401_00446 20,94,107,153,207,254,321,339,390,398,508,626,694,727,948,994 +0401_00447 20,94,144,305,370,373,508,551,626,727,948,977 +0401_00448 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0401_00449 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0401_00450 20,21,91,93,94,107,134,139,141,147,148,153,163,207,226,227,230,262,270,281,304,347,353,369,371,381,390,430,456,473,476,497,508,515,550,551,598,601,626,640,712,717,727,735,737,808,825,828,850,852,968,976,977,989,1006 +0401_00451 4,15,35,44,73,89,126,128,129,134,153,154,170,173,192,197,200,206,210,215,220,226,245,260,264,277,282,303,311,316,320,326,327,330,334,346,347,353,362,369,400,405,423,435,444,461,467,477,486,504,508,515,534,540,549,550,562,575,608,618,624,626,628,636,640,651,656,657,661,683,701,705,709,719,727,734,754,760,770,778,787,791,793,796,804,863,883,904,936,939,948,962,968,974,1023 +0401_00452 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0401_00453 20,153,171,185,257,343,347,361,505,508,544,640,663,727,800,948,967,994 +0401_00454 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0401_00455 20,23,62,134,151,153,211,219,229,245,328,347,353,389,396,430,442,473,508,515,544,592,626,640,648,727,752,879,897,948,968,994,1011 +0401_00456 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0401_00457 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0401_00458 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0401_00459 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0401_00460 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0401_00461 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0401_00462 15,20,89,108,134,144,151,153,154,160,171,190,207,230,240,254,263,291,347,365,433,434,445,460,461,474,481,492,505,508,510,516,540,544,663,687,714,727,741,761,762,767,781,802,807,878,896,914,948,958,960,968,994,1012 +0401_00463 60,85,87,89,95,143,153,201,207,260,262,300,311,323,326,347,351,359,375,390,402,410,433,442,461,518,523,538,562,576,626,643,668,689,701,719,743,775,802,876,918,936,974,996 +0401_00464 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0401_00465 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0401_00466 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0401_00467 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0401_00468 22,85,89,153,187,229,268,300,311,326,442,461,562,626,647,651,658,719,743,786,864,936,974,986 +0401_00469 85,89,147,153,261,284,311,326,351,442,461,539,562,582,617,626,689,690,719,743,851,936,974,1009 +0401_00470 4,15,26,31,37,39,89,139,151,153,212,263,280,326,390,414,440,461,475,549,557,626,711,719,797,809,855,877,936 +0401_00471 22,85,89,153,180,187,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0401_00472 18,20,26,37,67,69,73,80,89,96,97,110,129,134,144,153,173,188,190,196,245,254,260,296,339,343,347,381,393,406,410,439,487,505,508,516,524,525,549,550,612,641,655,658,666,670,677,680,723,727,762,773,778,792,812,825,844,846,847,886,948,955,967,968,972,980,982,985,1006 +0401_00473 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0401_00474 1,20,43,89,153,189,191,200,265,325,347,442,461,467,486,493,499,508,517,544,549,555,628,662,727,762,800,825,855,886,906,917,929,945,948,974,982,989,1002 +0401_00475 20,28,63,66,92,94,96,134,136,145,207,415,421,487,498,508,522,536,550,575,626,671,676,727,841,909,968 +0401_00476 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0401_00477 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0401_00478 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,700,727,733,748,755,778,781,826,827,833,918,919,948,994 +0401_00479 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0401_00480 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0401_00481 20,53,61,62,73,89,92,96,105,114,123,130,134,138,144,145,151,153,168,206,220,236,242,243,254,255,270,300,301,347,349,380,391,417,421,430,432,433,453,455,487,506,508,515,526,544,549,550,562,566,583,587,588,590,637,638,657,662,670,674,709,718,726,727,746,749,750,781,840,844,858,863,874,879,931,948,968,989 +0401_00482 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0401_00483 20,139,153,343,347,455,475,505,508,530,544,640,663,727,948,991,994,1019 +0401_00484 15,20,24,56,62,65,89,94,98,104,114,128,152,153,190,207,231,237,340,343,347,353,367,368,377,387,408,431,432,473,475,476,505,508,513,516,524,532,539,544,550,569,579,624,626,642,645,663,677,686,727,747,772,790,802,827,863,906,916,929,948,964,981,984,994 +0401_00485 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0401_00486 23,94,96,101,124,134,139,145,153,167,181,182,207,220,231,347,360,367,368,379,408,421,424,487,500,516,530,550,601,634,647,658,691,705,709,742,748,802,812,839,927,948,968,979,998 +0401_00487 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0401_00488 9,11,15,34,67,88,89,91,96,111,113,134,144,145,153,175,195,210,214,218,236,237,328,372,373,410,411,421,454,473,487,524,550,619,626,678,767,772,784,785,788,843,908,954,968,994,999,1005 +0401_00489 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0401_00490 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0401_00491 20,128,153,184,207,270,320,323,347,367,404,408,436,505,508,544,599,663,681,706,727,748,757,802,863,921,948,994 +0401_00492 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0401_00493 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0401_00494 20,56,62,69,94,105,107,112,128,129,141,153,207,217,231,242,257,270,274,279,283,334,342,354,363,365,366,474,480,481,494,508,516,530,556,583,626,674,680,692,727,736,739,755,757,776,778,786,789,812,824,826,829,871,915,917,923,927,947,948,994 +0401_00495 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0401_00496 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0401_00497 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0401_00498 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0401_00499 20,58,94,207,297,419,508,626,719,727,748,802,948,950 +0401_00500 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0401_00501 4,5,15,20,26,45,60,71,76,80,85,87,89,92,99,146,153,159,163,207,215,222,223,231,236,243,252,270,285,290,314,316,360,366,398,401,413,424,426,437,459,479,491,497,499,503,508,516,524,530,551,580,594,602,609,614,626,668,690,697,726,727,738,758,759,772,801,802,808,818,837,850,860,909,936,948,964,970,976 +0401_00502 15,20,25,26,72,85,89,95,102,134,141,148,153,155,205,211,212,222,233,245,255,305,315,326,351,357,358,394,399,408,413,469,499,508,513,517,527,566,603,610,626,701,704,727,744,755,766,768,772,774,783,801,819,822,836,847,855,898,926,936,948,968,988,1009,1011,1019,1022 +0401_00503 4,41,60,75,81,96,112,134,181,222,252,278,304,347,408,434,487,508,514,549,550,627,648,669,705,778,850,881,919,948,968,980,983 +0401_00504 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0401_00505 20,93,96,134,145,151,153,167,207,212,238,247,275,319,347,387,395,397,405,421,487,505,508,524,544,548,550,571,590,601,647,663,688,704,727,741,771,802,808,870,878,906,919,925,948,968,994 +0401_00506 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0401_00507 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0401_00508 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,662,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0401_00509 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0401_00510 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0401_00511 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0401_00512 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0401_00513 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0401_00514 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0401_00515 15,20,25,26,49,72,85,87,89,97,119,134,141,148,153,211,222,233,245,255,258,280,285,315,326,351,357,371,393,399,413,467,469,499,506,508,513,517,557,560,566,580,603,610,626,704,727,736,755,766,768,772,774,819,821,822,836,866,898,936,948,950,964,968,977,1009,1019,1022 +0401_00516 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +0401_00517 15,20,25,26,36,72,85,89,102,129,134,141,146,148,153,182,205,211,222,233,245,255,305,315,347,350,351,357,358,372,399,408,413,421,469,499,508,513,517,523,527,544,566,603,610,626,681,704,727,730,746,755,762,766,768,772,774,782,790,801,810,819,822,836,852,855,862,886,936,948,968,975,989,1009,1019,1022 +0401_00518 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0401_00519 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0401_00520 17,20,21,44,51,96,130,134,155,164,220,347,360,367,370,447,476,487,508,515,520,550,569,576,616,671,689,705,725,727,739,744,762,828,886,946,948,968,993 +0401_00521 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0401_00522 5,15,20,26,35,49,60,64,76,85,87,89,94,118,153,163,180,182,207,222,228,231,252,261,271,281,285,290,316,326,351,401,408,413,424,437,459,480,499,508,530,551,552,602,609,626,668,690,710,726,727,738,752,753,758,759,772,782,802,818,850,860,936,948,949,962,964,976,999,1009 +0401_00523 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0401_00524 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,662,700,727,733,748,755,778,781,826,827,833,918,919,948,994 +0401_00525 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0401_00526 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 +0401_00527 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0401_00528 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0401_00529 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +0401_00530 4,20,21,33,80,94,134,153,165,185,191,204,220,223,227,247,294,332,360,405,421,438,455,457,461,480,487,488,493,506,508,513,518,519,529,530,591,593,594,615,626,638,660,662,681,685,689,727,752,756,786,802,835,846,849,855,880,901,915,936,948,968,976,978,991,993,994 +0401_00531 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0401_00532 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0401_00533 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 diff --git a/processed_data/0401/0401_fingerprints_maccs_canonical_success.tsv b/processed_data/0401/0401_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..23fcb4446 --- /dev/null +++ b/processed_data/0401/0401_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,534 @@ +id bits.on +0401_00001 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00002 53,80,82,84,86,90,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00003 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00004 53,80,82,84,86,90,91,92,100,104,108,110,111,116,117,118,128,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0401_00005 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0401_00006 82,84,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00007 53,80,82,84,90,100,104,111,118,131,138,142,147,151,153,155,158,161 +0401_00008 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +0401_00009 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0401_00010 65,75,77,79,80,82,83,84,85,93,96,100,104,108,111,116,120,121,122,137,142,144,147,148,150,151,153,155,156,158,160,161,162,165 +0401_00011 25,43,77,78,82,84,90,91,100,104,106,111,118,119,129,131,138,142,147,151,153,155,156,158,161 +0401_00012 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0401_00013 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0401_00014 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00015 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00016 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00017 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0401_00018 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0401_00019 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0401_00020 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0401_00021 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0401_00022 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00024 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00025 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00026 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0401_00027 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0401_00028 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00029 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00030 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00031 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00032 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00033 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00034 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0401_00035 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0401_00036 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00037 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 +0401_00038 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0401_00039 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0401_00040 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0401_00041 14,54,67,84,88,90,95,104,111,123,124,129,131,136,138,139,140,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00042 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0401_00043 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0401_00044 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00045 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0401_00046 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0401_00047 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0401_00048 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0401_00049 49,65,75,80,84,85,92,93,97,98,110,117,121,122,137,142,148,151,154,156,158,160,161,162,163,164,165 +0401_00050 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00051 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00052 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 +0401_00053 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00054 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0401_00055 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0401_00056 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0401_00057 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0401_00058 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0401_00059 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00060 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0401_00061 82,84,90,91,95,100,104,123,129,131,132,136,139,146,147,151,152,153,154,155,157,158,159,161,164 +0401_00062 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00063 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00064 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00065 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00066 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0401_00067 29,30,43,48,49,69,74,85,86,90,91,93,95,100,102,106,109,111,112,115,116,122,124,126,130,131,132,138,139,140,141,146,147,148,149,153,155,157,158,159,160,161,164 +0401_00068 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0401_00069 53,54,72,89,127,131,139,140,143,146,150,152,157,159,163,164,165 +0401_00070 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0401_00071 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00072 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00073 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00074 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00075 29,36,38,43,47,48,49,65,69,75,77,80,81,83,84,85,88,90,91,96,98,100,102,106,108,109,112,116,120,121,122,124,126,128,130,131,132,133,135,137,138,139,140,142,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00076 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0401_00077 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00078 53,54,90,93,95,97,104,111,116,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0401_00079 82,85,86,91,95,100,104,109,111,118,122,123,128,129,131,132,138,139,140,146,147,148,153,154,155,157,158,159,161,164 +0401_00080 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0401_00081 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,157,159,160,163,164,165 +0401_00082 53,54,72,89,131,139,140,146,152,154,157,159,160,164 +0401_00083 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00084 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00085 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0401_00086 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0401_00087 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00088 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00089 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0401_00090 53,82,89,90,104,109,123,131,132,139,146,147,153,154,155,157,159,164 +0401_00091 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0401_00092 54,72,82,84,95,100,104,113,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,161,162,163,164,165 +0401_00093 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0401_00094 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00095 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00096 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00097 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00098 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00099 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00100 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00101 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00102 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0401_00103 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0401_00104 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0401_00105 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0401_00106 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0401_00107 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0401_00108 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00109 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00110 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00111 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0401_00112 54,84,90,91,95,104,118,123,127,129,131,132,139,143,146,147,151,152,154,156,157,158,159,161,163,164,165 +0401_00113 37,38,43,53,54,77,79,80,83,84,89,92,95,96,97,106,110,117,120,121,127,131,133,136,137,142,143,146,150,151,154,156,158,159,161,164,165 +0401_00114 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0401_00115 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0401_00116 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0401_00117 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0401_00118 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0401_00119 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0401_00120 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0401_00121 84,113,127,131,133,135,139,143,151,152,156,157,158,161,162,163,164,165 +0401_00122 54,66,74,84,95,112,123,131,139,149,151,154,156,157,158,159,160,161,164 +0401_00123 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0401_00124 53,82,84,90,97,100,115,123,131,139,151,153,154,155,157,158,159,160,161,164 +0401_00125 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0401_00126 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0401_00127 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0401_00128 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00129 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0401_00130 43,47,73,77,81,84,88,106,131,142,151,156,158,161 +0401_00131 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0401_00132 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0401_00133 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0401_00134 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0401_00135 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0401_00136 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00137 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0401_00138 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00139 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00140 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0401_00141 53,54,57,72,82,89,90,91,98,104,109,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00142 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00143 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00144 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00145 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00146 65,98,121,123,137,139,154,157,159,161,162,163,164,165 +0401_00147 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0401_00148 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00149 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00150 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00151 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00152 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0401_00153 53,54,82,84,88,90,91,95,104,111,123,131,139,147,151,153,154,155,156,157,158,159,161,164 +0401_00154 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0401_00155 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0401_00156 29,48,49,54,57,62,65,69,72,75,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00157 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,144,150,151,154,156,158,160,161,162,163,164,165 +0401_00158 29,37,38,48,57,62,65,69,72,75,77,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00159 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 +0401_00160 37,38,53,54,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00161 25,29,43,48,53,69,77,78,84,85,86,90,93,94,95,97,100,102,104,106,112,115,117,119,122,123,124,130,131,132,136,139,140,142,146,148,151,153,154,155,156,157,158,159,160,161,164 +0401_00162 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0401_00163 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00164 36,81,83,84,88,90,91,95,96,104,111,127,133,137,143,147,150,151,153,154,156,158,161,164,165 +0401_00165 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00166 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00167 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0401_00168 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00169 65,82,89,91,95,97,98,109,113,121,127,131,137,139,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0401_00170 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00171 54,72,82,86,93,95,100,104,113,115,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00172 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0401_00173 37,43,53,54,77,80,89,90,91,92,95,97,98,104,106,110,111,117,120,121,123,127,131,132,136,137,139,140,142,143,146,151,154,156,157,158,159,161,163,164,165 +0401_00174 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0401_00175 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0401_00176 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0401_00177 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00178 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 +0401_00179 54,82,84,95,100,104,113,127,131,132,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0401_00180 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0401_00181 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00182 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00183 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0401_00184 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,113,124,127,130,131,136,139,140,143,146,148,152,157,159,162,163,164,165 +0401_00185 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0401_00186 37,43,53,77,80,82,89,90,91,92,97,98,100,104,106,110,111,117,120,121,127,131,132,136,137,142,143,147,151,153,154,156,158,159,161,163,164,165 +0401_00187 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00188 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0401_00189 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 +0401_00190 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00191 54,84,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00192 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00193 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0401_00194 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00195 65,80,84,92,97,98,110,117,121,137,142,151,154,156,158,161,162,163,164,165 +0401_00196 54,72,84,90,91,95,104,111,113,123,127,131,139,140,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0401_00197 53,89,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0401_00198 53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00199 54,84,95,113,127,131,133,135,139,143,144,150,151,152,156,157,158,161,162,163,164,165 +0401_00200 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0401_00201 54,84,90,91,95,97,104,109,111,118,123,126,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00202 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0401_00203 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00204 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0401_00205 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0401_00206 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00207 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0401_00208 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0401_00209 53,54,84,89,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00210 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00211 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0401_00212 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0401_00213 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0401_00214 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0401_00215 99,123,131,136,139,140,146,154,157,159,164 +0401_00216 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0401_00217 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0401_00218 54,79,82,84,90,91,92,95,100,104,110,111,114,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00219 54,72,82,91,98,100,104,105,108,111,113,116,121,127,131,137,139,143,144,145,147,150,151,152,153,156,157,158,159,160,161,162,163,164,165 +0401_00220 37,75,77,79,83,85,86,89,90,92,93,95,96,97,100,104,106,110,111,115,117,120,121,122,127,132,136,137,142,143,148,150,151,153,154,156,158,159,160,161,164,165 +0401_00221 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0401_00222 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0401_00223 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 +0401_00224 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00225 29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 +0401_00226 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0401_00227 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,95,96,97,98,104,105,110,111,117,120,121,122,123,127,129,131,132,133,135,137,138,139,140,142,143,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00228 54,82,92,95,100,104,108,110,111,114,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0401_00229 53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165 +0401_00230 54,65,80,82,92,95,97,98,100,104,110,117,121,123,131,132,136,137,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00231 25,38,43,65,77,79,80,84,92,95,97,98,105,106,110,113,117,120,121,125,127,131,133,135,137,142,143,145,151,154,156,158,161,162,163,164,165 +0401_00232 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0401_00233 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00234 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0401_00235 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0401_00236 82,86,93,100,104,111,113,115,116,127,131,139,143,147,151,152,153,155,157,158,160,161,162,163,164,165 +0401_00237 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00238 54,92,95,110,117,123,131,136,139,146,149,151,154,156,157,158,159,160,161,164 +0401_00239 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0401_00240 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0401_00241 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0401_00242 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0401_00243 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,84,88,97,102,106,112,124,130,131,133,135,136,139,144,146,148,150,151,156,158,159,161,162,163,164,165 +0401_00244 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00245 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0401_00246 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00247 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00248 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 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29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0401_00258 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0401_00259 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0401_00260 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0401_00261 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0401_00262 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00263 54,65,83,84,90,91,95,96,104,105,111,113,121,123,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0401_00264 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0401_00265 82,90,91,92,100,104,108,110,111,116,117,118,123,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00266 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0401_00267 65,92,98,110,113,117,121,127,137,143,151,154,156,161,162,163,164,165 +0401_00268 82,84,100,151,153,155,158,161,162,163,165 +0401_00269 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0401_00270 99,154,162,163,164,165 +0401_00271 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0401_00272 57,66,89,90,98,104,109,112,115,116,123,127,129,132,137,139,143,146,147,152,153,154,157,159,160,163,164,165 +0401_00273 37,38,43,53,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,148,151,154,156,158,159,160,161,162,163,164,165 +0401_00274 53,54,72,89,113,127,131,139,143,144,146,150,152,157,159,162,163,164,165 +0401_00275 53,89,123,131,136,139,140,146,154,157,159,160,164 +0401_00276 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0401_00277 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00278 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0401_00279 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0401_00280 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0401_00281 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00282 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0401_00283 38,54,57,62,65,72,75,77,79,80,83,84,85,89,92,95,96,97,98,105,110,117,120,121,122,127,131,133,135,137,139,142,143,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0401_00284 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0401_00285 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0401_00286 90,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0401_00287 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00288 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00289 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00290 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00291 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00292 29,43,48,53,69,72,82,89,90,91,102,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0401_00293 54,82,90,92,95,100,104,110,111,114,115,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00294 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0401_00295 57,72,82,83,96,109,123,131,132,137,139,140,146,152,153,154,155,157,159,162,164,165 +0401_00296 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0401_00297 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54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0401_00359 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0401_00360 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0401_00361 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0401_00362 1,54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00363 65,93,97,98,121,123,126,137,154,157,159,160,161,162,163,164,165 +0401_00364 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00365 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0401_00366 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24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0401_00515 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00516 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00517 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00518 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0401_00519 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0401_00520 105,113,123,125,126,127,136,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0401_00521 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0401_00522 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0401_00523 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0401_00524 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00525 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0401_00526 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0401_00527 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0401_00528 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00529 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0401_00530 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0401_00531 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0401_00532 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0401_00533 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 diff --git a/processed_data/0401/0401_fingerprints_maccs_isomeric_success.tsv b/processed_data/0401/0401_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..b6c877f56 --- /dev/null +++ b/processed_data/0401/0401_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,534 @@ +id bits.on +0401_00001 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00002 53,80,82,84,86,90,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00003 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00004 53,80,82,84,86,90,91,92,100,104,108,110,111,116,117,118,128,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0401_00005 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0401_00006 82,84,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0401_00007 53,80,82,84,90,100,104,111,118,131,138,142,147,151,153,155,158,161 +0401_00008 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +0401_00009 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0401_00010 65,75,77,79,80,82,83,84,85,93,96,100,104,108,111,116,120,121,122,137,142,144,147,148,150,151,153,155,156,158,160,161,162,165 +0401_00011 25,43,77,78,82,84,90,91,100,104,106,111,118,119,129,131,138,142,147,151,153,155,156,158,161 +0401_00012 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0401_00013 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0401_00014 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00015 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00016 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00017 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0401_00018 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0401_00019 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0401_00020 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0401_00021 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0401_00022 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00023 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00024 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00025 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00026 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0401_00027 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0401_00028 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00029 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00030 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0401_00031 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00032 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00033 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00034 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0401_00035 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0401_00036 1,30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,156,157,158,159,160,161,164 +0401_00037 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 +0401_00038 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0401_00039 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0401_00040 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0401_00041 14,54,67,84,88,90,95,104,111,123,124,129,131,136,138,139,140,142,146,151,153,154,155,156,157,158,159,161,164 +0401_00042 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0401_00043 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0401_00044 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00045 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0401_00046 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0401_00047 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0401_00048 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0401_00049 49,65,75,80,84,85,92,93,97,98,110,117,121,122,137,142,148,151,154,156,158,160,161,162,163,164,165 +0401_00050 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0401_00051 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00052 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 +0401_00053 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00054 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0401_00055 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0401_00056 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0401_00057 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0401_00058 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0401_00059 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00060 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0401_00061 82,84,90,91,95,100,104,123,129,131,132,136,139,146,147,151,152,153,154,155,157,158,159,161,164 +0401_00062 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00063 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00064 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00065 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0401_00066 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0401_00067 29,30,43,48,49,69,74,85,86,90,91,93,95,100,102,106,109,111,112,115,116,122,124,126,130,131,132,138,139,140,141,146,147,148,149,153,155,157,158,159,160,161,164 +0401_00068 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0401_00069 53,54,72,89,127,131,139,140,143,146,150,152,157,159,163,164,165 +0401_00070 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0401_00071 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00072 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00073 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00074 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00075 29,36,38,43,47,48,49,65,69,75,77,80,81,83,84,85,88,90,91,96,98,100,102,106,108,109,112,116,120,121,122,124,126,128,130,131,132,133,135,137,138,139,140,142,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0401_00076 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0401_00077 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00078 53,54,90,93,95,97,104,111,116,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0401_00079 82,85,86,91,95,100,104,109,111,118,122,123,128,129,131,132,138,139,140,146,147,148,153,154,155,157,158,159,161,164 +0401_00080 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0401_00081 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,157,159,160,163,164,165 +0401_00082 53,54,72,89,131,139,140,146,152,154,157,159,160,164 +0401_00083 1,53,54,57,72,82,89,90,91,98,109,112,123,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00084 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00085 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0401_00086 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0401_00087 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00088 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00089 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0401_00090 53,82,89,90,104,109,123,131,132,139,146,147,153,154,155,157,159,164 +0401_00091 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0401_00092 54,72,82,84,95,100,104,113,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,161,162,163,164,165 +0401_00093 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0401_00094 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00095 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00096 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00097 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00098 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00099 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00100 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00101 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00102 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0401_00103 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0401_00104 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0401_00105 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0401_00106 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0401_00107 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0401_00108 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0401_00109 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00110 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0401_00111 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49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0401_00128 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00129 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0401_00130 43,47,73,77,81,84,88,106,131,142,151,156,158,161 +0401_00131 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0401_00132 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0401_00133 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0401_00134 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0401_00135 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0401_00136 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0401_00137 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0401_00138 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00139 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0401_00140 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0401_00141 53,54,57,72,82,89,90,91,98,104,109,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0401_00142 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00143 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00144 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0401_00145 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00146 65,98,121,123,137,139,154,157,159,161,162,163,164,165 +0401_00147 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0401_00148 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00149 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00150 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0401_00151 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00152 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0401_00153 53,54,82,84,88,90,91,95,104,111,123,131,139,147,151,153,154,155,156,157,158,159,161,164 +0401_00154 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0401_00155 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0401_00156 29,48,49,54,57,62,65,69,72,75,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00157 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,144,150,151,154,156,158,160,161,162,163,164,165 +0401_00158 29,37,38,48,57,62,65,69,72,75,77,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00159 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 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29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00167 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0401_00168 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00169 65,82,89,91,95,97,98,109,113,121,127,131,137,139,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0401_00170 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00171 54,72,82,86,93,95,100,104,113,115,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0401_00172 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0401_00173 37,43,53,54,77,80,89,90,91,92,95,97,98,104,106,110,111,117,120,121,123,127,131,132,136,137,139,140,142,143,146,151,154,156,157,158,159,161,163,164,165 +0401_00174 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0401_00175 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0401_00176 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0401_00177 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0401_00178 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 +0401_00179 54,82,84,95,100,104,113,127,131,132,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0401_00180 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65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0401_00242 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0401_00243 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,84,88,97,102,106,112,124,130,131,133,135,136,139,144,146,148,150,151,156,158,159,161,162,163,164,165 +0401_00244 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00245 1,54,74,84,90,95,104,111,112,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0401_00246 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0401_00247 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36,59,64,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,128,129,135,137,138,142,144,145,147,148,149,150,153,155,156,158,160,161,162,163,165 +0401_00508 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00509 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 +0401_00510 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0401_00511 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0401_00512 90,114,123,139,154,155,157,159,160,162,163,164,165 +0401_00513 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0401_00514 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0401_00515 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00516 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00517 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0401_00518 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0401_00519 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0401_00520 105,113,123,125,126,127,136,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0401_00521 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0401_00522 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0401_00523 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0401_00524 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0401_00525 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0401_00526 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0401_00527 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0401_00528 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0401_00529 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0401_00530 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0401_00531 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0401_00532 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0401_00533 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 diff --git a/processed_data/0401/0401_fingerprints_pubchem_canonical_success.tsv b/processed_data/0401/0401_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..2fa58c452 --- /dev/null +++ b/processed_data/0401/0401_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,534 @@ +id bits.on +0401_00001 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0401_00002 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,594,614,644,657 +0401_00003 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0401_00004 10,11,12,15,16,17,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,594,614,644,646,647,657 +0401_00005 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0401_00006 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,583,593,644,684 +0401_00007 10,15,16,284,285,286,300,333,345,346,352,366,394,529,594,644 +0401_00008 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0401_00009 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0401_00010 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,375,376,377,380,388,390,391,392,394,397,398,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0401_00011 10,11,15,16,17,284,285,286,300,333,345,346,352,366,376,391,394,419,451,454,488,529,593,644 +0401_00012 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0401_00013 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0401_00014 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00015 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00016 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00017 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0401_00018 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0401_00019 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0401_00020 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0401_00021 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0401_00022 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00024 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00025 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00026 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0401_00027 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0401_00028 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0401_00029 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0401_00030 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00031 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0401_00032 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0401_00033 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00034 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0401_00035 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0401_00036 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0401_00037 10,15,19,284,286,302,366,375,391,392,396,541 +0401_00038 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0401_00039 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0401_00040 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0401_00041 10,11,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00042 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0401_00043 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0401_00044 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0401_00045 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0401_00046 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0401_00047 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00048 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00049 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,394,397,398,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00050 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00051 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0401_00052 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +0401_00053 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0401_00054 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0401_00055 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0401_00056 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0401_00057 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0401_00058 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0401_00059 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0401_00060 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0401_00061 10,11,15,19,20,284,285,286,287,300,309,333,342,345,346,352,353,366,381,394,407,421,433,441,444,453,529,536,537,580,583,593,618,638,681,684,685,687,688,692,696 +0401_00062 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00063 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00064 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00065 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00066 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0401_00067 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0401_00068 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0401_00069 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0401_00070 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0401_00071 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00072 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10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0401_00079 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0401_00080 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0401_00081 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00082 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,693,694,706 +0401_00083 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 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10,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,582,618,640,643 +0401_00091 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0401_00092 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0401_00093 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0401_00094 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00095 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00096 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00097 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00098 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00099 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00100 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00101 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00102 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0401_00103 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0401_00104 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0401_00105 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0401_00106 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10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0401_00117 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,437,444,449,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0401_00118 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00119 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0401_00120 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0401_00121 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00122 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0401_00123 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00124 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0401_00125 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00126 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0401_00127 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00128 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00129 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0401_00130 15,16,34,286,294,300,376,394,422,512 +0401_00131 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00132 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0401_00133 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0401_00134 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0401_00135 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0401_00136 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0401_00137 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0401_00138 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0401_00139 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0401_00140 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0401_00141 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0401_00142 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00143 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0401_00144 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00145 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0401_00146 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0401_00147 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00148 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00149 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00150 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00151 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00152 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0401_00153 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00154 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0401_00155 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0401_00156 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,372,373,374,377,385,388,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,435,436,440,442,443,444,446,447,448,450,452,454,457,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,567,568,571,572,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,613,614,615,618,619,624,625,629,634,635,638,639,640,641,657,658,660,661,663,664,665,666,669,672,673,674,678,679,681,682,683,684,685,691,692,696,703,709,710 +0401_00157 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0401_00158 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00159 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0401_00160 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00161 10,11,15,16,19,20,21,31,284,285,286,287,300,305,309,315,345,346,352,353,366,375,376,381,391,392,394,407,412,419,421,426,441,444,451,453,457,520,537,541,561,567,597,603,655,660 +0401_00162 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0401_00163 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0401_00164 10,11,15,19,34,144,147,284,285,286,287,294,300,333,339,341,345,346,350,352,353,354,366,369,394,413,421,444,508,529,536,537,580,587,644,659 +0401_00165 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0401_00166 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00167 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0401_00168 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00169 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0401_00170 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0401_00171 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,632,635,638,641,642,644,652,656,660,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,762,778,799,825 +0401_00172 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0401_00173 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0401_00174 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0401_00175 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0401_00176 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0401_00177 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0401_00178 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0401_00179 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0401_00180 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0401_00181 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0401_00182 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0401_00183 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0401_00184 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,342,345,353,354,356,371,372,382,383,384,385,407,409,415,417,435,442,447,458,459,460,466,471,482,491,499,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,690,721,784 +0401_00185 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0401_00186 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,345,346,352,353,366,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0401_00187 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0401_00188 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00189 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0401_00190 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0401_00191 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0401_00192 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0401_00193 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0401_00194 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00195 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00196 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0401_00197 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0401_00198 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0401_00199 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,684,690,764,827 +0401_00200 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0401_00201 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0401_00202 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0401_00203 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00204 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0401_00205 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0401_00206 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00207 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0401_00208 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0401_00209 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,544,546,547,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,757,764,801,820,827 +0401_00210 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00211 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00212 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00213 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00214 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00215 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0401_00216 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00217 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00218 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0401_00219 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,465,471,491,499,521,525,529,541,542,543,545,549,550,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,629,632,634,635,638,641,642,644,652,656,657,661,664,665,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,704,709,710,711,713,715,736,756,762,778,799,819,825 +0401_00220 10,11,15,16,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,421,440,444,452,537,541,561,570,603,612,637,644,646,647,648,651,655 +0401_00221 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0401_00222 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00223 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00224 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0401_00225 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00226 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0401_00227 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,421,432,438,439,441,442,443,444,448,450,451,453,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,537,539,541,546,548,550,556,561,567,568,570,572,573,580,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,655,657,658,659,660,663,664,675,681,683,684 +0401_00228 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,614,644,646,647,657,660 +0401_00229 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0401_00230 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00231 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0401_00232 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00233 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0401_00234 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0401_00235 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0401_00236 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00237 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00238 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0401_00239 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00240 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0401_00241 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00242 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00243 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0401_00244 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0401_00245 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00246 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00247 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00248 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0401_00249 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0401_00250 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00251 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0401_00252 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00253 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00254 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00255 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0401_00256 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0401_00257 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00258 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0401_00259 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0401_00260 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00261 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0401_00262 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0401_00263 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0401_00264 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00265 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0401_00266 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0401_00267 10,11,15,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,377,382,385,388,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,644,646,647,657,658,661,665,666,669,672,673,678,679,684,685,696 +0401_00268 10,11,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,394,417,431,435,442,447,465,471,491,517,521,525,529,550,553,557,565,571,579,583,585,593,596,600,604,608,609,619,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0401_00269 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0401_00270 10,11,12,19,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,385,417,421,431,435,437,442,444,447,449,471,491,517,521,525,553,554,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,672,673,678,679,680,689,709,710,711 +0401_00271 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0401_00272 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0401_00273 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0401_00274 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0401_00275 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0401_00276 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0401_00277 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00278 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0401_00279 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0401_00280 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00281 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0401_00282 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0401_00283 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0401_00284 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00285 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0401_00286 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0401_00287 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0401_00288 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0401_00289 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00290 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00291 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00292 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0401_00293 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660 +0401_00294 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0401_00295 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0401_00296 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0401_00297 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0401_00298 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00299 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0401_00300 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0401_00301 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00302 10,11,12,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0401_00303 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0401_00304 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00305 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0401_00306 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0401_00307 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0401_00308 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00309 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00310 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,600,618,642,661,679 +0401_00311 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0401_00312 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00313 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0401_00314 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00315 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0401_00316 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00317 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0401_00318 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0401_00319 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,693 +0401_00320 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00321 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0401_00322 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0401_00323 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0401_00324 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0401_00325 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0401_00326 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00327 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0401_00328 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0401_00329 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00330 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00331 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0401_00332 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0401_00333 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00334 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00335 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0401_00336 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0401_00337 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0401_00338 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,690,762,825 +0401_00339 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00340 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0401_00341 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0401_00342 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0401_00343 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0401_00344 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0401_00345 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0401_00346 10,11,12,15,19,20,21,144,146,147,179,180,182,186,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,463,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,542,543,544,546,547,549,550,553,556,557,564,565,566,567,568,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,616,618,619,620,621,627,629,633,634,635,638,639,640,641,642,643,644,652,653,656,657,658,660,661,662,663,664,665,666,667,669,678,679,680,681,682,684,685,687,689,690,691,693,694,697,699,701,702,706,709,710,711,759,822 +0401_00347 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00348 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00349 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0401_00350 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00351 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00352 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0401_00353 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0401_00354 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0401_00355 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0401_00356 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0401_00357 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0401_00358 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0401_00359 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00360 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00361 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0401_00362 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00363 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,367,371,372,373,374,375,377,381,385,388,391,397,404,406,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00364 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0401_00365 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00366 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00367 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00368 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00369 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0401_00370 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +0401_00371 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0401_00372 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00373 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0401_00374 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00375 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00376 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00377 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00378 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +0401_00379 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00380 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00381 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00382 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0401_00383 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0401_00384 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0401_00385 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0401_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0401_00387 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +0401_00388 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00389 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00390 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0401_00391 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00392 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00393 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00394 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0401_00395 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0401_00396 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0401_00397 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00398 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0401_00399 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0401_00400 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00401 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0401_00402 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0401_00403 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0401_00404 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0401_00405 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0401_00406 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0401_00407 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00408 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,705 +0401_00409 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0401_00410 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0401_00411 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0401_00412 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00413 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0401_00414 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0401_00415 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0401_00416 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0401_00417 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0401_00418 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0401_00419 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711,759,822 +0401_00420 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0401_00421 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00422 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0401_00423 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0401_00424 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10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0401_00430 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0401_00431 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00432 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00433 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0401_00434 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00435 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10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0401_00437 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0401_00438 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0401_00439 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00440 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0401_00441 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00442 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10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0401_00453 10,11,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,582,589,615,640,643 +0401_00454 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00455 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00456 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0401_00457 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0401_00458 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00459 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0401_00460 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0401_00461 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0401_00462 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0401_00463 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00464 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0401_00465 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0401_00466 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0401_00467 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00468 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00469 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00470 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00471 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00472 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0401_00473 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00474 10,11,12,13,19,20,21,22,179,182,284,285,287,333,340,342,345,347,348,353,367,368,375,381,406,421,441,444,453,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0401_00475 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,418,421,428,431,435,441,442,444,447,453,461,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0401_00476 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00477 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0401_00478 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00479 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00480 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +0401_00481 10,11,12,13,15,16,19,20,21,179,180,184,185,186,187,193,256,258,284,285,286,287,300,302,333,334,336,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,541,546,547,550,553,554,557,559,565,567,571,574,579,580,583,585,593,595,596,600,601,604,608,609,614,615,616,619,620,629,634,635,638,641,644,657,660,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713,738,801 +0401_00482 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0401_00483 10,11,12,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,580,615,638,682,687,688 +0401_00484 10,11,12,13,15,16,19,20,21,144,146,147,179,180,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,366,367,375,381,391,392,393,394,406,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,615,616,618,638,644,646,647,657,660,680,681,684,685,689,690,692,693,696,697,699,703,704,705,708,709,710,711,822 +0401_00485 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0401_00486 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711,757,820 +0401_00487 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0401_00488 10,11,12,13,15,19,179,180,181,182,186,187,193,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,639,641,642,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0401_00489 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0401_00490 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0401_00491 10,11,12,19,20,21,284,285,287,333,334,336,342,345,347,353,367,375,381,406,421,433,441,444,453,463,536,538,580,582,589,606,615,638,643,682,687,688,709 +0401_00492 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00493 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00494 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0401_00495 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0401_00496 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00497 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0401_00498 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0401_00499 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,618,638,709 +0401_00500 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00501 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00502 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0401_00503 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,689,690,699,709,710,711,757,820 +0401_00504 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00505 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0401_00506 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0401_00507 10,11,12,13,15,16,34,35,179,180,181,182,184,185,186,187,193,200,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,369,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,630,634,635,641,657,658,659,661,665,666,669,678,679,680,684,689,725,747,768,788,810,831 +0401_00508 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00509 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00510 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0401_00511 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0401_00512 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00513 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0401_00514 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0401_00515 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00516 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00517 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0401_00518 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0401_00519 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0401_00520 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0401_00521 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0401_00522 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00523 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0401_00524 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00525 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0401_00526 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0401_00527 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00528 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0401_00529 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00530 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0401_00531 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0401_00532 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00533 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 diff --git a/processed_data/0401/0401_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0401/0401_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..de5e18c66 --- /dev/null +++ b/processed_data/0401/0401_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,534 @@ +id bits.on +0401_00001 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0401_00002 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,594,614,644,657 +0401_00003 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0401_00004 10,11,12,15,16,17,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,594,614,644,646,647,657 +0401_00005 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0401_00006 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,583,593,644,684 +0401_00007 10,15,16,284,285,286,300,333,345,346,352,366,394,529,594,644 +0401_00008 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0401_00009 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0401_00010 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,375,376,377,380,388,390,391,392,394,397,398,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0401_00011 10,11,15,16,17,284,285,286,300,333,345,346,352,366,376,391,394,419,451,454,488,529,593,644 +0401_00012 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0401_00013 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0401_00014 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00015 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00016 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00017 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0401_00018 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0401_00019 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0401_00020 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0401_00021 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0401_00022 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00023 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00024 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00025 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0401_00026 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0401_00027 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0401_00028 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0401_00029 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0401_00030 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00031 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0401_00032 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0401_00033 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0401_00034 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0401_00035 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0401_00036 1,2,10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0401_00037 10,15,19,284,286,302,366,375,391,392,396,541 +0401_00038 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0401_00039 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0401_00040 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0401_00041 10,11,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00042 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0401_00043 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0401_00044 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0401_00045 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0401_00046 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0401_00047 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00048 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0401_00049 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10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0401_00054 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0401_00055 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0401_00056 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0401_00057 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0401_00058 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0401_00059 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0401_00060 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0401_00061 10,11,15,19,20,284,285,286,287,300,309,333,342,345,346,352,353,366,381,394,407,421,433,441,444,453,529,536,537,580,583,593,618,638,681,684,685,687,688,692,696 +0401_00062 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00063 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00064 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00065 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0401_00066 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0401_00067 10,11,15,19,20,21,31,284,285,286,287,309,315,345,346,347,352,353,366,367,375,391,392,408,412,426,457,541,567,660 +0401_00068 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0401_00069 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0401_00070 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0401_00071 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00072 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00073 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00074 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00075 10,11,12,15,16,17,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,341,345,346,347,352,353,354,356,357,358,359,360,366,367,369,371,373,374,375,376,377,379,380,384,385,388,390,391,392,394,397,398,404,408,412,413,417,419,422,426,431,432,436,438,439,442,443,446,447,448,450,451,454,457,465,473,474,475,476,481,483,485,488,490,491,492,496,501,505,507,508,509,520,522,524,525,531,532,534,539,540,541,546,550,556,557,561,571,573,577,583,586,587,593,594,597,600,602,614,622,629,635,637,638,642,655,656,657,658,661,666,669,675,679,681,683 +0401_00076 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +0401_00077 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0401_00078 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,581,603,614,618,638,639,644,660,682,687,688 +0401_00079 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0401_00080 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0401_00081 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00082 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,693,694,706 +0401_00083 1,10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00084 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0401_00085 10,11,15,19,20,116,117,284,285,286,287,300,309,333,334,337,341,345,352,353,381,394,407,421,441,444,453,536,537,567,580,618,638,644 +0401_00086 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0401_00087 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0401_00088 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0401_00089 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0401_00090 10,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,582,618,640,643 +0401_00091 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0401_00092 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0401_00093 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0401_00094 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00095 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00096 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0401_00097 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00098 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00099 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00100 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00101 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00102 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0401_00103 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0401_00104 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0401_00105 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0401_00106 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0401_00107 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0401_00108 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10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,684,685,689,690,692,693,697,699,704,705,709,710,711,778 +0401_00113 10,11,15,16,17,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,376,391,393,394,421,440,444,452,529,537,541,561,570,603,612,637,644,646,647,648,651,655 +0401_00114 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00115 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00116 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0401_00117 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,437,444,449,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0401_00118 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00119 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0401_00120 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0401_00121 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00122 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0401_00123 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00124 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0401_00125 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00126 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0401_00127 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00128 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00129 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0401_00130 15,16,34,286,294,300,376,394,422,512 +0401_00131 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00132 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0401_00133 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0401_00134 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0401_00135 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0401_00136 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0401_00137 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0401_00138 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0401_00139 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0401_00140 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0401_00141 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0401_00142 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00143 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0401_00144 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00145 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0401_00146 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0401_00147 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00148 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00149 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00150 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00151 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00152 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0401_00153 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00154 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0401_00155 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0401_00156 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,372,373,374,377,385,388,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,435,436,440,442,443,444,446,447,448,450,452,454,457,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,567,568,571,572,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,613,614,615,618,619,624,625,629,634,635,638,639,640,641,657,658,660,661,663,664,665,666,669,672,673,674,678,679,681,682,683,684,685,691,692,696,703,709,710 +0401_00157 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0401_00158 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00159 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0401_00160 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00161 10,11,15,16,19,20,21,31,284,285,286,287,300,305,309,315,345,346,352,353,366,375,376,381,391,392,394,407,412,419,421,426,441,444,451,453,457,520,537,541,561,567,597,603,655,660 +0401_00162 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0401_00163 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0401_00164 10,11,15,19,34,144,147,284,285,286,287,294,300,333,339,341,345,346,350,352,353,354,366,369,394,413,421,444,508,529,536,537,580,587,644,659 +0401_00165 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0401_00166 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00167 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0401_00168 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00169 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0401_00170 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0401_00171 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,545,549,553,557,565,567,568,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,632,635,638,641,642,644,652,656,660,661,664,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,762,778,799,825 +0401_00172 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0401_00173 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0401_00174 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0401_00175 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0401_00176 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0401_00177 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0401_00178 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0401_00179 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0401_00180 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0401_00181 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0401_00182 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0401_00183 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0401_00184 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,342,345,353,354,356,371,372,382,383,384,385,407,409,415,417,435,442,447,458,459,460,466,471,482,491,499,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,690,721,784 +0401_00185 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0401_00186 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,345,346,352,353,366,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0401_00187 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0401_00188 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00189 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0401_00190 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0401_00191 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0401_00192 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0401_00193 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0401_00194 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00195 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00196 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0401_00197 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0401_00198 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0401_00199 10,11,15,19,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,407,417,435,438,442,447,450,465,471,491,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,652,656,661,665,666,668,669,678,679,680,681,684,690,764,827 +0401_00200 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0401_00201 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0401_00202 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0401_00203 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00204 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0401_00205 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0401_00206 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00207 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0401_00208 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0401_00209 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,544,546,547,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,757,764,801,820,827 +0401_00210 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0401_00211 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0401_00212 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00213 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00214 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0401_00215 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0401_00216 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00217 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00218 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0401_00219 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,465,471,491,499,521,525,529,541,542,543,545,549,550,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,629,632,634,635,638,641,642,644,652,656,657,661,664,665,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,704,709,710,711,713,715,736,756,762,778,799,819,825 +0401_00220 10,11,15,16,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,421,440,444,452,537,541,561,570,603,612,637,644,646,647,648,651,655 +0401_00221 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0401_00222 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00223 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00224 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0401_00225 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00226 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0401_00227 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,339,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,421,432,438,439,441,442,443,444,448,450,451,453,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,529,531,536,537,539,541,546,548,550,556,561,567,568,570,572,573,580,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,655,657,658,659,660,663,664,675,681,683,684 +0401_00228 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,614,644,646,647,657,660 +0401_00229 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0401_00230 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00231 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0401_00232 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00233 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0401_00234 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0401_00235 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0401_00236 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0401_00237 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00238 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0401_00239 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00240 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0401_00241 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0401_00242 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00243 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0401_00244 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0401_00245 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00246 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00247 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00248 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0401_00249 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0401_00250 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00251 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0401_00252 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00253 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0401_00254 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0401_00255 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0401_00256 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0401_00257 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00258 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0401_00259 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0401_00260 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00261 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0401_00262 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0401_00263 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0401_00264 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00265 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0401_00266 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0401_00267 10,11,15,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,377,382,385,388,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,644,646,647,657,658,661,665,666,669,672,673,678,679,684,685,696 +0401_00268 10,11,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,394,417,431,435,442,447,465,471,491,517,521,525,529,550,553,557,565,571,579,583,585,593,596,600,604,608,609,619,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0401_00269 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0401_00270 10,11,12,19,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,385,417,421,431,435,437,442,444,447,449,471,491,517,521,525,553,554,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,672,673,678,679,680,689,709,710,711 +0401_00271 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0401_00272 10,11,19,20,179,182,284,285,287,309,333,334,338,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,681,685,694,709,711 +0401_00273 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0401_00274 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0401_00275 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0401_00276 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0401_00277 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0401_00278 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0401_00279 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0401_00280 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00281 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0401_00282 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0401_00283 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0401_00284 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00285 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0401_00286 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0401_00287 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0401_00288 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0401_00289 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0401_00290 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00291 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0401_00292 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0401_00293 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660 +0401_00294 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0401_00295 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0401_00296 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0401_00297 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0401_00298 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00299 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0401_00300 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0401_00301 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00302 10,11,12,15,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0401_00303 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,661,665,669,678,679,680,684,689,697,709,710,711 +0401_00304 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00305 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0401_00306 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0401_00307 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0401_00308 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00309 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00310 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,600,618,642,661,679 +0401_00311 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0401_00312 1,10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00313 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0401_00314 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00315 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0401_00316 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00317 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0401_00318 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0401_00319 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,693 +0401_00320 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00321 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0401_00322 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0401_00323 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0401_00324 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0401_00325 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0401_00326 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00327 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0401_00328 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0401_00329 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00330 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00331 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0401_00332 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0401_00333 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00334 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00335 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0401_00336 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0401_00337 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0401_00338 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,690,762,825 +0401_00339 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00340 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0401_00341 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0401_00342 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0401_00343 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0401_00344 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0401_00345 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0401_00346 10,11,12,15,19,20,21,144,146,147,179,180,182,186,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,463,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,542,543,544,546,547,549,550,553,556,557,564,565,566,567,568,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,616,618,619,620,621,627,629,633,634,635,638,639,640,641,642,643,644,652,653,656,657,658,660,661,662,663,664,665,666,667,669,678,679,680,681,682,684,685,687,689,690,691,693,694,697,699,701,702,706,709,710,711,759,822 +0401_00347 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00348 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00349 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0401_00350 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00351 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0401_00352 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0401_00353 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0401_00354 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0401_00355 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0401_00356 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0401_00357 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0401_00358 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0401_00359 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0401_00360 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00361 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0401_00362 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00363 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,367,371,372,373,374,375,377,381,385,388,391,397,404,406,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0401_00364 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0401_00365 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00366 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0401_00367 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0401_00368 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00369 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0401_00370 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +0401_00371 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0401_00372 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0401_00373 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0401_00374 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00375 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00376 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00377 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00378 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +0401_00379 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00380 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00381 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00382 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0401_00383 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0401_00384 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0401_00385 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0401_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0401_00387 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +0401_00388 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0401_00389 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00390 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0401_00391 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00392 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00393 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00394 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0401_00395 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0401_00396 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0401_00397 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00398 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0401_00399 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0401_00400 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0401_00401 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0401_00402 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0401_00403 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0401_00404 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0401_00405 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0401_00406 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0401_00407 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00408 10,11,19,20,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,375,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,705 +0401_00409 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0401_00410 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0401_00411 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0401_00412 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10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0401_00414 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0401_00415 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0401_00416 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0401_00417 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0401_00418 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0401_00419 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711,759,822 +0401_00420 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0401_00421 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0401_00422 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0401_00423 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0401_00424 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+0401_00428 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00429 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0401_00430 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0401_00431 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00432 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0401_00433 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0401_00434 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0401_00435 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10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0401_00437 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0401_00438 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0401_00439 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00440 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0401_00441 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0401_00442 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0401_00443 10,19,20,34,284,285,287,294,309,333,342,345,350,353,354,369,381,407,414,421,433,441,444,453,463,536,538,618 +0401_00444 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,627,633,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,694,695,697,699,705,706,707,709,710,711,757,820 +0401_00445 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00446 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,618,638,664 +0401_00447 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,618,664 +0401_00448 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0401_00449 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0401_00450 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,762,778,799,825 +0401_00451 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00452 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0401_00453 10,11,19,20,21,284,285,287,333,345,347,353,367,375,381,406,421,441,444,453,536,582,589,615,640,643 +0401_00454 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0401_00455 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0401_00456 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0401_00457 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0401_00458 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0401_00459 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0401_00460 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0401_00461 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0401_00462 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0401_00463 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0401_00464 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0401_00465 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0401_00466 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0401_00467 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00468 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00469 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00470 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00471 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0401_00472 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0401_00473 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0401_00474 10,11,12,13,19,20,21,22,179,182,284,285,287,333,340,342,345,347,348,353,367,368,375,381,406,421,441,444,453,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0401_00475 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,418,421,428,431,435,441,442,444,447,453,461,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0401_00476 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00477 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0401_00478 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00479 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0401_00480 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10,11,12,13,15,16,19,20,21,144,146,147,179,180,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,366,367,375,381,391,392,393,394,406,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,615,616,618,638,644,646,647,657,660,680,681,684,685,689,690,692,693,696,697,699,703,704,705,708,709,710,711,822 +0401_00485 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0401_00486 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10,11,12,13,15,19,179,180,181,182,186,187,193,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,639,641,642,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0401_00489 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0401_00490 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0401_00491 10,11,12,19,20,21,284,285,287,333,334,336,342,345,347,353,367,375,381,406,421,433,441,444,453,463,536,538,580,582,589,606,615,638,643,682,687,688,709 +0401_00492 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00493 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10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0401_00496 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00497 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0401_00498 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0401_00499 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,618,638,709 +0401_00500 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00501 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00502 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0401_00503 10,11,12,19,20,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,689,690,699,709,710,711,757,820 +0401_00504 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00505 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0401_00506 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0401_00507 10,11,12,13,15,16,34,35,179,180,181,182,184,185,186,187,193,200,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,369,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,630,634,635,641,657,658,659,661,665,666,669,678,679,680,684,689,725,747,768,788,810,831 +0401_00508 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00509 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0401_00510 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0401_00511 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0401_00512 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0401_00513 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0401_00514 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0401_00515 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00516 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00517 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0401_00518 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0401_00519 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0401_00520 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0401_00521 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0401_00522 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0401_00523 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0401_00524 10,11,12,13,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0401_00525 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0401_00526 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0401_00527 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00528 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0401_00529 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0401_00530 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0401_00531 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0401_00532 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0401_00533 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 diff --git a/processed_data/0401/0401_gradient.tsv b/processed_data/0401/0401_gradient.tsv new file mode 100644 index 000000000..88e608a98 --- /dev/null +++ b/processed_data/0401/0401_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/processed_data/0401/0401_info.tsv b/processed_data/0401/0401_info.tsv new file mode 100644 index 000000000..305331d09 --- /dev/null +++ b/processed_data/0401/0401_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0401 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_80 diff --git a/processed_data/0401/0401_metadata.tsv b/processed_data/0401/0401_metadata.tsv new file mode 100644 index 000000000..01a19d26b --- /dev/null +++ b/processed_data/0401/0401_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0401 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.35 0.63 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2 98 0 0 diff --git a/processed_data/0401/0401_report_canonical.pdf b/processed_data/0401/0401_report_canonical.pdf new file mode 100644 index 000000000..641bb9f4f Binary files /dev/null and b/processed_data/0401/0401_report_canonical.pdf differ diff --git a/processed_data/0401/0401_report_isomeric.pdf b/processed_data/0401/0401_report_isomeric.pdf new file mode 100644 index 000000000..295b158fb Binary files /dev/null and b/processed_data/0401/0401_report_isomeric.pdf differ diff --git a/processed_data/0401/0401_rtdata_canonical_success.tsv b/processed_data/0401/0401_rtdata_canonical_success.tsv new file mode 100644 index 000000000..50b419c22 --- /dev/null +++ b/processed_data/0401/0401_rtdata_canonical_success.tsv @@ -0,0 +1,534 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0401_00001 C10H26N4 0.581 C(CCNCCCN)CNCCCN InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 PFNFFQXMRSDOHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00002 C6H17N3 0.586 C(CN)CNCCCN InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 OTBHHUPVCYLGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00003 C7H19N3 0.588 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00004 C12H28N4O 0.596 CC(=O)NCCCNCCCCNCCCN InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) GUNURVWAJRRUAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Acetamides (CHEMONTID:0003922) +0401_00005 C4H12N2 0.606 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00006 C5H14N2 0.613 C(CCN)CCN InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00007 C3H10N2 0.613 C(CN)CN InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 XFNJVJPLKCPIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00008 C5H9N3 0.613 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0401_00009 C6H11N3O 0.62 C1=C(NC=N1)CC(CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9) ZQISRDCJNBUVMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00010 C6H11N3 0.621 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0401_00011 C5H14N4 0.628 C(CCN=C(N)N)CN InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) QYPPJABKJHAVHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0401_00012 C6H14N2O3 0.649 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00013 C6H14N2O3 0.649 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00014 C6H14N2O2 0.65 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00015 C5H12N2O2 0.653 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00016 C5H12N2O2 0.653 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00017 C9H20N2O2 0.662 C[N+](C)(C)CCCCC(C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3 MXNRLFUSFKVQSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00018 C3H8N2O2 0.663 C(C(C(=O)O)N)N InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) PECYZEOJVXMISF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00019 C6H9N3O2 0.668 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00020 C9H14N4O3 0.673 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0401_00021 C7H11N3O2 0.676 CN1C=NC=C1CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) JDHILDINMRGULE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00022 C6H13NO5 0.676 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00023 C6H13NO5 0.676 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00024 C6H13NO5 0.676 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds 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InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00028 C5H10N2O3S 0.686 C(C(C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9) ZUKPVRWZDMRIEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00029 C4H8N2O3 0.687 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00030 C7H16N4O2 0.69 C(CCN=C(N)N)CC(C(=O)O)N InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11) QUOGESRFPZDMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00031 C8H12N2O2 0.695 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) +0401_00032 C7H14N2O4S 0.702 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00033 C6H14NO8P 0.703 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00034 C3H7NO3 0.705 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00035 C5H14NO 0.705 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0401_00036 C7H15NO3 0.705888889 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0401_00037 C3H9NO 0.707 C[N+](C)(C)[O-] InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 UYPYRKYUKCHHIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Aminoxides (CHEMONTID:0003993) Trialkyl amine oxides (CHEMONTID:0004184) NA (NA) +0401_00038 C4H8N2O3 0.712 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00039 C5H12N2O3S 0.713 CS(=N)(=O)CCC(C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9) SXTAYKAGBXMACB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00040 C2H8NO4P 0.717 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0401_00041 C6H12N2O4S2 0.717 C(C(C(=O)O)N)SSCC(C(=O)O)N InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12) LEVWYRKDKASIDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00042 C2H7NO3S 0.718 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0401_00043 C6H13NO6 0.718 C(C(C(C(C(C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13) UFYKDFXCZBTLOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00044 C3H7NO2 0.72 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00045 C2H8NO3P 0.72 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0401_00046 C3H7NO2 0.72 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00047 C3H7NO2 0.72 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00048 C3H7NO2 0.72 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00049 C7H9N2O 0.72 C[N+]1=CC=CC(=C1)C(=O)N InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 LDHMAVIPBRSVRG-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0401_00050 C6H13NO8S 0.721 C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13) MTDHILKWIRSIHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide sulfates (CHEMONTID:0003306) +0401_00051 C4H9NO2 0.722 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00052 C2H7N3 0.722 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0401_00053 C7H15NO3 0.723 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0401_00054 C5H10N2O3 0.724 C(CC(=O)N)C(C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00055 C4H7NO4 0.726 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00056 C4H7NO4 0.726 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00057 C3H7N3O2 0.732 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00058 C4H9NO3 0.732 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, 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+0401_00061 C5H9NO3 0.733 C(CC(=O)O)C(=O)CN InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) ZGXJTSGNIOSYLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0401_00062 C5H9NO3 0.733 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00063 C5H9NO3 0.733 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00064 C5H9NO3 0.733 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00065 C5H9NO3 0.733 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) 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(CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0401_00069 C6H12O6 0.74 C1(C(C(C(C(C1O)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0401_00070 C4H7N3O 0.74 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00071 C6H12O6 0.74 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00072 C6H12O6 0.74 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00073 C6H12O6 0.74 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen 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(CHEMONTID:0001287) +0401_00076 C4H9NO2 0.743 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00077 C5H9NO4 0.745 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00078 C5H9NO4 0.745 CNC(CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10) 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(CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00086 C3H7NO2S 0.756 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00087 C6H14O6 0.756 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00088 C6H14O6 0.756 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00089 C3H7NO5S 0.758 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00090 C3H6O3 0.76 C(CO)C(=O)O InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00091 C3H5NO4 0.761 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00092 C8H11NO3 0.761 C1=CC(=C(C=C1C(CN)O)O)O InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 SFLSHLFXELFNJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00093 C4H8N4O4 0.765 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00094 C5H12O5 0.766 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00095 C5H12O5 0.766 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00096 C5H12O5 0.766 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00097 C12H22O11 0.767 C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00098 C12H22O11 0.767 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00099 C12H22O11 0.767 C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2 JCQLYHFGKNRPGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00100 C12H22O11 0.767 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00101 C12H22O11 0.767 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 DLRVVLDZNNYCBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00102 C3H7NO4S 0.77 C(C(C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8) ADVPTQAUNPRNPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00103 C5H9N3O4 0.771 C(C(C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8) VVHOUVWJCQOYGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00104 C4H8O3 0.772 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00105 C6H10O6 0.772 C(C1C(C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2 PHOQVHQSTUBQQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00106 C4H8O3 0.772 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00107 C6H10O6 0.772 C(C(C1C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2 SXZYCXMUPBBULW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0401_00108 C8H9NO3 0.774 C1=CC(=CC=C1C(C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12) LJCWONGJFPCTTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00109 C4H10O4 0.775 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00110 C4H10O4 0.775 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00111 C7H15NO2 0.776 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0401_00112 C8H15NO3 0.777 C1CC(CCC1C(C(=O)O)N)O InChI=1S/C8H15NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h5-7,10H,1-4,9H2,(H,11,12) IMYYCZADDHYKLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00113 C4H6N4O3 0.779 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0401_00114 C6H13O9P 0.783 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00115 C6H13O9P 0.783 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00116 C6H11NO4 0.783 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00117 C6H13O9P 0.783 C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14) VFRROHXSMXFLSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00118 C6H13O9P 0.783 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00119 C6H10O7 0.786 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00120 C4H9N3O2 0.787 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00121 C6H7NO 0.788 C1=CC(=CC=C1N)O InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0401_00122 C4H9NO2 0.793 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00123 C4H9NO2 0.793 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00124 C4H9NO2 0.793 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00125 C4H9NO2 0.793 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00126 C3H8NO6P 0.795 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00127 C7H7NO2 0.797 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0401_00128 C14H26N4O11P2 0.797 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25) RZZPDXZPRHQOCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0401_00129 C5H11O8P 0.801 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11) KTVPXOYAKDPRHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0401_00130 CH4N2S 0.803 C(=S)(N)N InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) UMGDCJDMYOKAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioureas (CHEMONTID:0001209) NA (NA) NA (NA) NA (NA) +0401_00131 C6H10O5 0.807 C1C2C(C(C(C(O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2 TWNIBLMWSKIRAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0401_00132 C5H9NO2 0.811 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00133 C5H9NO2 0.811 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00134 C4H11N5 0.813 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0401_00135 C3H9O6P 0.813 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0401_00136 C7H15N3O3 0.813 C(CCNC(=O)N)CC(C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13) XIGSAGMEBXLVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00137 C5H6N2O2 0.813 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0401_00138 C6H11NO4 0.814 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00139 C6H11NO4 0.814 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00140 C5H9NO4 0.815 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00141 C6H12O5 0.816 C1C(C(C(C(O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2 MPCAJMNYNOGXPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00142 C18H32O16 0.818 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 MUPFEKGTMRGPLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0401_00143 C11H19NO9 0.818 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0401_00144 C18H32O16 0.818 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2 FYGDTMLNYKFZSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0401_00145 C9H17NO4 0.82 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00146 C6H5NO2 0.822 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00147 C9H15N4O8P 0.822 C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19) NOTGFIUVDGNKRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0401_00148 C8H15NO6 0.823 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00149 C8H15NO6 0.823 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00150 C8H15NO6 0.823 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00151 C9H14N3O7P 0.824 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17) NCMVOABPESMRCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0401_00152 C5H5N5 0.825 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0401_00153 C4H9NO2S 0.825 C(CS)C(C(=O)O)N InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) FFFHZYDWPBMWHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00154 C6H10N2O4 0.825 CC(=O)NC(CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12) HXFOXFJUNFFYMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00155 C10H14N2 0.826 CN1CCCC1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0401_00156 C11H15N2O8P 0.828 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19) DAYLJWODMCOQEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyridine nucleotides (CHEMONTID:0001297) Nicotinamide nucleotides (CHEMONTID:0001268) NA (NA) NA (NA) +0401_00157 C5H7N3O 0.829 CC1=C(NC(=O)N=C1)N InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0401_00158 C9H12N3O7P 0.829 C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14) NMPZCCZXCOMSDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0401_00159 C6H7N5 0.829 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0401_00160 C9H13N3O5 0.83 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16) UHDGCWIWMRVCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0401_00161 C4H10N3O5P 0.83 CN(CC(=O)O)C(=NP(=O)(O)O)N InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) DRBBFCLWYRJSJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00162 C7H16NO2 0.83 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0401_00163 C8H16N2O3 0.831 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00164 C4H7NOS 0.831 C1CSC(=O)C1N InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2 KIWQWJKWBHZMDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00165 C5H11N3O2 0.832 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00166 C9H14N3O8P 0.833 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) UOOOPKANIPLQPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0401_00167 C5H9NO4S 0.834 C(C(C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) GBFLZEXEOZUWRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00168 C9H13N3O4 0.836 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0401_00169 C8H9NO3 0.837 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0401_00170 C9H13NO3 0.839 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00171 C9H13NO3 0.839 CNCC(C1=CC(=C(C=C1)O)O)O InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 UCTWMZQNUQWSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00172 C7H12O6 0.84 C1C(C(C(CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) AAWZDTNXLSGCEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0401_00173 C5H6N2O4 0.84 C1C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11) UFIVEPVSAGBUSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00174 C6H14N2O 0.843 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0401_00175 C3H5NO3 0.845 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00176 C6H11NO2 0.849 C1CCNC(C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) HXEACLLIILLPRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00177 C5H11NO2 0.854 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0401_00178 C6H6N2O2 0.856 C1=C(NC=N1)C=CC(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) LOIYMIARKYCTBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0401_00179 C8H11NO2 0.857 C1=CC(=CC=C1C(CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 QHGUCRYDKWKLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00180 C5H4N2O4 0.995 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0401_00181 C7H7NO3 1.088 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00182 C9H13NO2 1.091 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00183 C4H7NO3 1.1 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00184 C6H6O4S 1.114 C1=CC(=CC=C1O)S(=O)(=O)O InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) FEPBITJSIHRMRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0401_00185 C4H4N2O2 1.115 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0401_00186 C4H6N2O2 1.115 C1CNC(=O)NC1=O InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) OIVLITBTBDPEFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0401_00187 C16H25N5O16P2 1.121 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28) MVMSCBBUIHUTGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0401_00188 C6H5NO2 1.13 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00189 C6H5NO2 1.13 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00190 C5H11NO2S 1.131888889 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00191 C7H7NO3 1.139 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00192 C5H11NO2S 1.157 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00193 C6H9NO5 1.165 CC(=O)NC(CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12) OTCCIMWXFLJLIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00194 C10H13N4O8P 1.202 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0401_00195 C6H6N2O 1.206 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0401_00196 C9H11NO4 1.207 C1=CC(=C(C=C1CC(C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) WTDRDQBEARUVNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00197 C5H8O5 1.209 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00198 C7H7NO3 1.211 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00199 C6H7NO 1.222 C1=CC=C(C(=C1)N)O InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 CDAWCLOXVUBKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0401_00200 C4H6O4 1.24 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00201 C8H13NO6 1.245 C(COC(=O)CCC(=O)O)C(C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14) GNISQJGXJIDKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00202 C5H4N4O 1.265 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0401_00203 C9H13N2O8P 1.27 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17) JSRLJPSBLDHEIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0401_00204 C7H5NO4 1.313 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00205 C6H8O7 1.32 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0401_00206 C10H13N4O9P 1.353 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18) DCTLYFZHFGENCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0401_00207 C8H11NO3 1.387 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0401_00208 C5H4N2O4 1.399 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0401_00209 C7H7NO3 1.399 C1=CC(=C(C(=C1)N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11) IQGMRVWUTCYCST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00210 C11H19NO8 1.418 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17) MNLRQHMNZILYPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00211 C10H14N5O6P 1.42 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19) KHWCHTKSEGGWEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0401_00212 C5H7NO3 1.422 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00213 C5H7NO3 1.422 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00214 C5H7NO3 1.422 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00215 C4H4O4 1.429 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00216 C10H12N2O4 1.432 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00217 C9H14N4O5 1.438 C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17) RTRQQBHATOEIAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0401_00218 C11H19N3O6 1.447 CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20) JCMUOFQHZLPHQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00219 C10H13NO2 1.461 CC1C2=CC(=C(C=C2CCN1)O)O InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3 IBRKLUSXDYATLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrahydroisoquinolines (CHEMONTID:0002955) NA (NA) NA (NA) NA (NA) +0401_00220 C4H6N2O2 1.481 CN1CC(=O)NC1=O InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) RHYBFKMFHLPQPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0401_00221 C7H11NO5 1.485 CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) RFMMMVDNIPUKGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00222 C9H11NO3 1.489 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00223 C8H11NO 1.51 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00224 C9H12N2O6 1.515 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16) DRTQHJPVMGBUCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0401_00225 C10H12N5O6P 1.518 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0401_00226 C10H12N2O 1.52 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0401_00227 C14H20N6O5S 1.522 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18) ZJUKTBDSGOFHSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0401_00228 C5H9NO3 1.534 CCC(=O)NCC(=O)O InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) WOMAZEJKVZLLFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00229 C16H22N6O4 1.55 C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25) XNSAINXGIQZQOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00230 C8H8N2O3 1.556 C1=CC(=CN=C1)C(=O)NCC(=O)O InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12) ZBSGKPYXQINNGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00231 C6H5N5O 1.563 C1=CN=C2C(=N1)C(=O)NC(=N2)N InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12) HNXQXTQTPAJEJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) NA (NA) NA (NA) +0401_00232 C10H15NO 1.577 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00233 C10H19NO4 1.587 CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3 UFAHZIUFPNSHSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) 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C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17) ZOOGRGPOEVQQDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0401_00265 C6H11NO3 1.698 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00266 C8H9NO4 1.703 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00267 C5H5NO 1.703 C1=CC(=O)NC=C1 InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) UBQKCCHYAOITMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Pyridinones (CHEMONTID:0001160) NA (NA) +0401_00268 C7H9N 1.704 C1=CC=C(C=C1)CN InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 WGQKYBSKWIADBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0401_00269 C6H5NO3 1.71 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00270 C9H8O 1.711 C1=CC=C(C=C1)C=CC=O InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H KJPRLNWUNMBNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0401_00271 C6H10O3 1.721 CC1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 JYVXNLLUYHCIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0401_00272 C6H10O3 1.721 CC1(CCOC(=O)C1)O InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3 JYVXNLLUYHCIIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0401_00273 C6H6N4O2 1.732 CN1C=NC2=C1C(=O)NC(=O)N2 InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) PFWLFWPASULGAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00274 C6H6O3 1.741 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0401_00275 C4H6O4 1.742 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00276 C8H11NO 1.745 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00277 C10H12N4O6 1.75 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0401_00278 C7H6O3 1.765 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00279 C13H21N3O 1.799 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0401_00280 C6H6N4O2 1.821 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00281 C15H23N3O4S 1.999 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00282 C4H5NO4S 2 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0401_00283 C10H13N5O3 2.034 CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13) XGYIMTFOTBMPFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0401_00284 C10H12N2O3 2.043 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00285 C13H22N4O3S 2.069 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00286 C8H8O4 2.078 C1=CC(=C(C=C1O)CC(=O)O)O InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0401_00287 C13H21NO3 2.09 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0401_00288 C14H22N2O3 2.108 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00289 C10H14N2O5 2.108 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0401_00290 C11H13NO3 2.112 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00291 C11H15N5O4 2.115 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0401_00292 C3H7O7P 2.153 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0401_00293 C6H11NO3 2.205 CCCC(=O)NCC(=O)O InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) WPSSBBPLVMTKRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00294 C11H13N3O 2.211 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) JLSKPBDKNIXMBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00295 C6H6O4 2.212 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0401_00296 C7H7NO2 2.214 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00297 C9H10N2O5 2.214 C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14) FBTSQILOGYXGMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00298 C7H8N4O3 2.265 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00299 C9H10N2O4 2.275 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13) GTVVZTAFGPQSPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00300 C5H8O4 2.297 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00301 C7H8N4O2 2.305 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00302 C9H13N 2.32 CNCCC1=CC=CC=C1 InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 SASNBVQSOZSTPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00303 C10H15N 2.332 CN(C)CCC1=CC=CC=C1 InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 TXOFSCODFRHERQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00304 C8H9NO2 2.346 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00305 C9H17NO5 2.37 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00306 C9H17NO5 2.37 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00307 C8H17NO2 2.373 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00308 C7H7NO3 2.389 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00309 C7H6O5 2.437 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00310 C6H8O4 2.486 C(C=CCC(=O)O)C(=O)O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10) YHGNXQAFNHCBTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00311 C7H7NO3 2.489 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00312 C11H12N2O2 2.505111111 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00313 C4H8O4 2.508 C(CO)C(C(=O)O)O InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8) UFYGCFHQAXXBCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0401_00314 C7H8N4O3 2.561 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00315 C5H10O3 2.58 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00316 C11H12N2O2 2.581 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00317 C11H14N2 2.582 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00318 C10H12N2 2.588 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00319 C6H6O3 2.595 CC1=C(C(=O)C=CO1)O InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 XPCTZQVDEJYUGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0401_00320 C7H8N4O2 2.596 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00321 C6H11NO3S 2.597 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00322 C6H10O4 2.598 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00323 C15H16O9 2.599 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0401_00324 C11H15N5O3S 2.6 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0401_00325 C6H6O2 2.604 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0401_00326 C9H9NO4 2.624 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00327 C13H18O7 2.628 C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 NGFMICBWJRZIBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0401_00328 C13H16N2O5 2.632 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00329 C9H10O4 2.635 C1=CC(=CC=C1CC(C(=O)O)O)O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00330 C7H8N4O2 2.6645 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00331 C7H11NO3 2.668 CC=C(C)C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10) WRUSVQOKJIDBLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00332 C7H5NO3S 2.67 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0401_00333 C15H14O6 2.676 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0401_00334 C8H8O2 2.679 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00335 C7H6O3 2.687 C1=CC(=C(C=C1C=O)O)O InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H IBGBGRVKPALMCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0401_00336 C6H10O4 2.687 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00337 C9H7NO 2.705 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0401_00338 C6H6O2 2.714 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00339 C11H13NO4 2.716 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16) CAHKINHBCWCHCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00340 C8H7NO 2.721 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00341 C10H9NO3 2.734 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00342 C8H9NO 2.738 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0401_00343 C6H10O4 2.739 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00344 C7H13NO3 2.753 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00345 C7H13NO3S 2.772 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00346 C14H15NO7 2.772 C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20) KUYNOZVWCFXSNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0401_00347 C12H14N2O2 2.777 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00348 C8H10N4O3 2.779 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00349 C19H19N7O6 2.794 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30) OVBPIULPVIDEAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0401_00350 C8H16N2O4S2 2.795 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00351 C8H16N2O4S2 2.795 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00352 C6H8O4 2.804 CC(=CC(=O)O)CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) WKRBKYFIJPGYQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00353 C7H7NO3 2.815 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00354 C17H22N2O 2.839 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0401_00355 C7H13NO3 2.842 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00356 C16H18O9 2.854 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0401_00357 C7H6O3 2.885 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00358 C11H17NO3 2.897 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0401_00359 C10H7NO4 2.943 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00360 C9H8O4 2.946 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00361 C7H8O3S 2.957 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0401_00362 C9H9NO3 2.971555556 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00363 C7H7NO2 2.972 COC(=O)C1=CN=CC=C1 InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 YNBADRVTZLEFNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00364 C21H31N3O5 2.984 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00365 C10H7NO2 2.988 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00366 C8H8O3 2.989 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00367 C9H9NO3 2.994 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00368 C17H23NO3 2.995 CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 RKUNBYITZUJHSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0401_00369 C8H6O3 3.014 C1=CC=C(C(=C1)C=O)C(=O)O InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) DYNFCHNNOHNJFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0401_00370 C7H10O4 3.03 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0401_00371 C5H4O3 3.038 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0401_00372 C10H7NO3 3.047 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00373 C13H16N2O4 3.064 C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19) JFLIEFSWGNOPJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00374 C15H14O6 3.079 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0401_00375 C9H8O4 3.08 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00376 C17H20N2O2 3.095 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00377 C9H10N2 3.103 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0401_00378 C6H10O2 3.141 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0401_00379 C8H9NO 3.144 C1=CC=C(C=C1)CC(=O)N InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00380 C8H8O4 3.155 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00381 C8H8O5 3.159 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00382 C10H17NO5 3.163 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00383 C7H6O2 3.171 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0401_00384 C7H12O5 3.175 CC(C)C(CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) BITYXLXUCSKTJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00385 C7H11NO2 3.183 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0401_00386 C8H6O4 3.188 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0401_00387 C10H16N2O3S 3.196 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) YBJHBAHKTGYVGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0401_00388 C8H10N4O2 3.201 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00389 C9H10O5 3.218 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0401_00390 C6H6N4S 3.219 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0401_00391 C7H8O2 3.223 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00392 C16H19N3O4S 3.224 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00393 C9H10O4 3.233 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00394 C7H12O4 3.235 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00395 C7H12O4 3.235 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00396 C10H17N 3.241 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00397 C17H20N4O6 3.255 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0401_00398 C7H6O3 3.27 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00399 C10H10N2O 3.297 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00400 C10H11NO3 3.305 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00401 C14H18N2O5 3.332 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0401_00402 C6H12O3 3.346 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00403 C7H7NO2 3.352 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0401_00404 C10H11NO3 3.377 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00405 C8H9NO 3.425 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00406 C7H7NO2 3.439 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00407 C16H12O6 3.441 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3 QVYSSMFEUBQBEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0401_00408 C7H8O3 3.443 CCC1=C(C(=O)C=CO1)O InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 YIKYNHJUKRTCJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0401_00409 C11H9NO3 3.447 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00410 C8H8O4 3.456 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00411 C9H10O4 3.459 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0401_00412 C13H16N2O2 3.51 CCOC(=O)C(CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3 DABYEOZXRSTEGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00413 C8H7NO 3.54 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00414 C10H17N3O6S 3.582 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00415 C9H8O3 3.605 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00416 C6H12O3 3.649 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00417 C6H12O3 3.649 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00418 C10H13N5 3.655 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0401_00419 C8H7NO 3.661 C1C2=CC=CC=C2NC1=O InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) JYGFTBXVXVMTGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0401_00420 C10H18N2O3 3.662 CC1C(NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) AUTOLBMXDDTRRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0401_00421 C10H10O4 3.666 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00422 C8H15NO3 3.685 CC(C)CC(C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12) WXNXCEHXYPACJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00423 C9H10O3 3.693 CC(C1=CC=C(C=C1)O)C(=O)O InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) ZHMMPVANGNPCBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00424 C11H11NO3 3.71 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00425 C9H7NO2 3.721 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0401_00426 C7H8O2 3.723 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00427 C13H14N2O3 3.7425 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00428 C13H14N2O3 3.7425 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00429 C13H14N2O3 3.792 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00430 C11H13NO3 3.805 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00431 C9H10O3 3.823 C1=CC=C(C=C1)CC(C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) VOXXWSYKYCBWHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00432 C9H10O3 3.823 C1=CC=C(C=C1)CC(C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) VOXXWSYKYCBWHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00433 C8H15NO3 3.845 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00434 C13H16N2O2 3.851 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00435 C11H11NO3 3.883 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00436 C8H8O3 3.902 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00437 C9H8O3 3.909 C1=CC(=CC(=C1)O)C=CC(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) KKSDGJDHHZEWEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00438 C8H10O3 3.96 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00439 C10H9NO2 3.979777778 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00440 C11H11NO3 3.981 C1=CC=C(C=C1)C=CC(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15) YAADMLWHGMUGQL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00441 C6H5NO3 3.989 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0401_00442 C14H12O3 4 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0401_00443 C3H4O3S 4.005 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0401_00444 C9H6O2 4.014 C1=CC=C2C(=C1)C=CC(=O)O2 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0401_00445 C10H9NO2 4.019 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00446 C4H8O3 4.02 CCC(C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7) AFENDNXGAFYKQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0401_00447 C4H8O3 4.02 CC(C)(C(=O)O)O InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) BWLBGMIXKSTLSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0401_00448 C5H4N4O3 4.027 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00449 C10H11NO 4.036 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00450 C18H16O8 4.058 C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) DOUMFZQKYFQNTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0401_00451 C28H34O15 4.07 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 ARGKVCXINMKCAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0401_00452 C16H21NO2 4.101 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0401_00453 C7H12O4 4.114 CCOC(=O)CC(=O)OCC InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 IYXGSMUGOJNHAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00454 C15H10O8 4.131 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0401_00455 C10H12O5 4.139 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 ZTHYODDOHIVTJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0401_00456 C17H19N3O3S 4.162 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0401_00457 C17H21NO 4.177 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0401_00458 C9H10O4 4.197 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00459 C9H11NO2 4.227 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0401_00460 C12H21N 4.227 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00461 C9H9NO 4.23 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0401_00462 C16H28N2O4 4.245 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) VSZGPKBBMSAYNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00463 C12H24O11 4.245 C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2 VQHSOMBJVWLPSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0401_00464 C23H32N6O4S 4.256 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00465 C19H21NO 4.259 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0401_00466 C8H8O4 4.275 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00467 C6H12O6 4.29 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00468 C6H12O6 4.29 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00469 C6H12O6 4.29 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00470 C6H12O6 4.29 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00471 C6H12O6 4.29 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00472 C22H26N2O4S 4.334 CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3 HSUGRBWQSSZJOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0401_00473 C12H10N4O2 4.338 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0401_00474 C16H22O11 4.341 CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3 LPTITAGPBXDDGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Pentacarboxylic acids and derivatives (CHEMONTID:0002995) NA (NA) NA (NA) +0401_00475 C9H6O2 4.35 C1=CC=C(C=C1)C#CC(=O)O InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) XNERWVPQCYSMLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00476 C9H16O4 4.354 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00477 C27H38N2O4 4.364 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0401_00478 C15H29NO4 4.387 CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3 CXTATJFJDMJMIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00479 C11H11NO2 4.399 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00480 C11H9NO2 4.399 C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14) PLVPPLCLBIEYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0401_00481 C26H29N3O6 4.403 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ZBBHBTPTTSWHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0401_00482 C8H15NOS2 4.405 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0401_00483 C8H14O4 4.424 CCOC(=O)CCC(=O)OCC InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 DKMROQRQHGEIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0401_00484 C19H32N2O5 4.436 CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24) IPVQLZZIHOAWMC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00485 C18H24O3 4.456 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0401_00486 C17H21NO 4.501 CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3 VHGCDTVCOLNTBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0401_00487 C8H7N 4.552 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0401_00488 C20H31NO 4.568 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2 HWHLPVGTWGOCJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00489 C19H24N2 4.578 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0401_00490 C37H67NO13 4.594 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0401_00491 C9H14O5 4.604 CCOC(=O)C(C)C(=O)C(=O)OCC InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3 OQOCQBJWOCRPQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0401_00492 C9H18O2 4.609 CCCCCCCCC(=O)O InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) FBUKVWPVBMHYJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00493 C11H11NO2 4.644 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00494 C16H29N3O6S 4.65 CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25) HXJDWCWJDCOHDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00495 C20H23N 4.678 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0401_00496 C21H28O5 4.679 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00497 C9H8O2 4.685 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0401_00498 C12H13NO2 4.707 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00499 C5H8O3 4.71 CC(C)C(=O)C(=O)O InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) QHKABHOOEWYVLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0401_00500 C10H18O4 4.748 C(CCCCC(=O)O)CCCC(=O)O InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CXMXRPHRNRROMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00501 C26H45NO6S 4.795 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33) BHTRKEVKTKCXOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0401_00502 C21H30O5 4.827 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00503 C10H10O2 4.847 COC1=CC=CC=C1C=CC=O InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3 KKVZAVRSVHUSPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0401_00504 C10H20O3 4.878 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00505 C14H16N2O2 4.883 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 NPUKDXXFDDZOKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0401_00506 C12H18N2O3S 4.947 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00507 C21H26N2S2 4.992 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0401_00508 C17H33NO4 5.002 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3 LZOSYCMHQXPBFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00509 C12H13NO2 5.014 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00510 C8H16O3 5.024 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00511 C10H19NO3 5.05 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00512 C10H12O2 5.062 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0401_00513 C10H12O3 5.083 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0401_00514 C17H18N2O6 5.101 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0401_00515 C21H30O4 5.111 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3 OMFXVFTZEKFJBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00516 C21H30O4 5.111 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00517 C23H32O6 5.113 CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3 ALEXXDVDDISNDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0401_00518 C8H8O3 5.125 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00519 C16H12O4 5.133 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0401_00520 C15H14O4 5.165 CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3 RYWSYCQQUDFMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0401_00521 C16H14O3 5.201 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0401_00522 C24H40O5 5.223 CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) BHQCQFFYRZLCQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0401_00523 C26H29NO 5.234 CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3 NKANXQFJJICGDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0401_00524 C19H37NO4 5.245 CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3 FUJLYHJROOYKRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00525 C11H14O2 5.273 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00526 C18H39NO2 5.302 CCCCCCCCCCCCCCCC(C(CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 OTKJDMGTUTTYMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0401_00527 C12H24O3 5.303 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00528 C24H29N5O3 5.319 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00529 C22H28O3 5.323 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0401_00530 C36H38N4O8 5.334 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0401_00531 C8H16O2 5.344 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00532 C8H16O2 5.352777778 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00533 C26H43NO6 5.394 CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33) RFDAIACWWDREDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) diff --git a/processed_data/0401/0401_rtdata_isomeric_success.tsv b/processed_data/0401/0401_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..876dce3aa --- /dev/null +++ b/processed_data/0401/0401_rtdata_isomeric_success.tsv @@ -0,0 +1,534 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0401_00001 C10H26N4 0.581 C(CCNCCCN)CNCCCN InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 PFNFFQXMRSDOHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00002 C6H17N3 0.586 C(CN)CNCCCN InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 OTBHHUPVCYLGQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00003 C7H19N3 0.588 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0401_00004 C12H28N4O 0.596 CC(=O)NCCCNCCCCNCCCN InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) GUNURVWAJRRUAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Acetamides (CHEMONTID:0003922) +0401_00005 C4H12N2 0.606 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00006 C5H14N2 0.613 C(CCN)CCN InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 VHRGRCVQAFMJIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00007 C3H10N2 0.613 C(CN)CN InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 XFNJVJPLKCPIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00008 C5H9N3 0.613 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0401_00009 C6H11N3O 0.62 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00010 C6H11N3 0.621 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0401_00011 C5H14N4 0.628 C(CCN=C(N)N)CN InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) QYPPJABKJHAVHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0401_00012 C6H14N2O3 0.649 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00013 C6H14N2O3 0.649 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00014 C6H14N2O2 0.65 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and 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C([C@@H](C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1 ZUKPVRWZDMRIEO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00029 C4H8N2O3 0.687 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00030 C7H16N4O2 0.69 C(CCN=C(N)N)C[C@@H](C(=O)O)N InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1 QUOGESRFPZDMMT-YFKPBYRVSA-N Organic compounds 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derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00045 C2H8NO3P 0.72 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0401_00046 C3H7NO2 0.72 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00047 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(CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00055 C4H7NO4 0.726 C([C@@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CKLJMWTZIZZHCS-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00056 C4H7NO4 0.726 C([C@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 CKLJMWTZIZZHCS-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and 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C(CC(=O)O)C(=O)CN InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) ZGXJTSGNIOSYLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0401_00062 C5H9NO3 0.733 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00063 C5H9NO3 0.733 C1[C@H](CN[C@@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 PMMYEEVYMWASQN-DMTCNVIQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00064 C5H9NO3 0.733 C1[C@H](NCC1O)C(=O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1 PMMYEEVYMWASQN-BKLSDQPFSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00065 C5H9NO3 0.733 C1[C@H](CN[C@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1 PMMYEEVYMWASQN-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00066 C2H7NO2S 0.735 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +0401_00067 C5H15NO4P 0.735 C[N+](C)(C)CCOP(=O)(O)O InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1 YHHSONZFOIEMCP-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Phosphocholines (CHEMONTID:0001250) +0401_00068 C4H5N3O 0.739 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) 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acids and derivatives (CHEMONTID:0000060) +0401_00071 C6H12O6 0.74 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 WQZGKKKJIJFFOK-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00072 C6H12O6 0.74 C1[C@@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1 LKDRXBCSQODPBY-AMVSKUEXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00073 C6H12O6 0.74 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 LKDRXBCSQODPBY-VRPWFDPXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00074 C6H12O6 0.74 C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1 WQZGKKKJIJFFOK-QRXFDPRISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00075 C12H18N4O4PS 0.74 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1 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acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00078 C5H9NO4 0.745 CN[C@H](CC(=O)O)C(=O)O InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1 HOKKHZGPKSLGJE-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00079 C6H13NO4 0.747 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00080 C8H20NO6P 0.747 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0401_00081 C6H12O5 0.75 C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1 SHZGCJCMOBCMKK-JFNONXLTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00082 C6H12O5 0.75 C[C@@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1 PNNNRSAQSRJVSB-KCDKBNATSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00083 C6H12O6 0.750444444 [2H][C@@]1([C@]([C@@](OC([C@]1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D WQZGKKKJIJFFOK-QCQRZMBHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0401_00084 C6H13N3O3 0.752 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00085 C4H7NO2 0.755 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00086 C3H7NO2S 0.756 C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00087 C6H14O6 0.756 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00088 C6H14O6 0.756 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00089 C3H7NO5S 0.758 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00090 C3H6O3 0.76 C(CO)C(=O)O InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00091 C3H5NO4 0.761 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00092 C8H11NO3 0.761 C1=CC(=C(C=C1[C@H](CN)O)O)O InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 SFLSHLFXELFNJZ-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00093 C4H8N4O4 0.765 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00094 C5H12O5 0.766 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00095 C5H12O5 0.766 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00096 C5H12O5 0.766 C([C@@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 HEBKCHPVOIAQTA-IMJSIDKUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00097 C12H22O11 0.767 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00098 C12H22O11 0.767 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 GUBGYTABKSRVRQ-DCSYEGIMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00099 C12H22O11 0.767 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 JCQLYHFGKNRPGE-FCVZTGTOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00100 C12H22O11 0.767 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1 GUBGYTABKSRVRQ-PICCSMPSSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00101 C12H22O11 0.767 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1 DLRVVLDZNNYCBX-ABXHMFFYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0401_00102 C3H7NO4S 0.77 C([C@@H](C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 ADVPTQAUNPRNPO-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00103 C5H9N3O4 0.771 C([C@@H](C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1 VVHOUVWJCQOYGG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00104 C4H8O3 0.772 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00105 C6H10O6 0.772 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 PHOQVHQSTUBQQK-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00106 C4H8O3 0.772 C[C@H](CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 WHBMMWSBFZVSSR-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00107 C6H10O6 0.772 C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 SXZYCXMUPBBULW-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0401_00108 C8H9NO3 0.774 C1=CC(=CC=C1[C@@H](C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 LJCWONGJFPCTTL-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00109 C4H10O4 0.775 C([C@H]([C@@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1 UNXHWFMMPAWVPI-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00110 C4H10O4 0.775 C([C@H]([C@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0401_00111 C7H15NO2 0.776 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0401_00112 C8H15NO3 0.777 C1CC(CCC1C(C(=O)O)N)O InChI=1S/C8H15NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h5-7,10H,1-4,9H2,(H,11,12) IMYYCZADDHYKLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00113 C4H6N4O3 0.779 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0401_00114 C6H13O9P 0.783 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00115 C6H13O9P 0.783 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-FPRJBGLDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00116 C6H11NO4 0.783 CN[C@@H](CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 XLBVNMSMFQMKEY-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00117 C6H13O9P 0.783 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 VFRROHXSMXFLSN-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00118 C6H13O9P 0.783 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0401_00119 C6H10O7 0.786 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00120 C4H9N3O2 0.787 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00121 C6H7NO 0.788 C1=CC(=CC=C1N)O InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0401_00122 C4H9NO2 0.793 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00123 C4H9NO2 0.793 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00124 C4H9NO2 0.793 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00125 C4H9NO2 0.793 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00126 C3H8NO6P 0.795 C([C@@H](C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 BZQFBWGGLXLEPQ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00127 C7H7NO2 0.797 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0401_00128 C14H26N4O11P2 0.797 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 RZZPDXZPRHQOCG-OJAKKHQRSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0401_00129 C5H11O8P 0.801 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 KTVPXOYAKDPRHY-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0401_00130 CH4N2S 0.803 C(=S)(N)N InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) UMGDCJDMYOKAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioureas (CHEMONTID:0001209) NA (NA) NA (NA) NA (NA) +0401_00131 C6H10O5 0.807 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 TWNIBLMWSKIRAT-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0401_00132 C5H9NO2 0.811 C1C[C@@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00133 C5H9NO2 0.811 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00134 C4H11N5 0.813 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0401_00135 C3H9O6P 0.813 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0401_00136 C7H15N3O3 0.813 C(CCNC(=O)N)C[C@@H](C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 XIGSAGMEBXLVJJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00137 C5H6N2O2 0.813 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0401_00138 C6H11NO4 0.814 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00139 C6H11NO4 0.814 C(C[C@@H](C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 OYIFNHCXNCRBQI-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00140 C5H9NO4 0.815 CC(=O)OC[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 VZXPDPZARILFQX-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00141 C6H12O5 0.816 C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 MPCAJMNYNOGXPB-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00142 C18H32O16 0.818 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1 MUPFEKGTMRGPLJ-BQCSWRFHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0401_00143 C11H19NO9 0.818 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0401_00144 C18H32O16 0.818 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0401_00145 C9H17NO4 0.82 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00146 C6H5NO2 0.822 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00147 C9H15N4O8P 0.822 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 NOTGFIUVDGNKRI-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0401_00148 C8H15NO6 0.823 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 OVRNDRQMDRJTHS-CBQIKETKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) N-acyl-alpha-hexosamines (CHEMONTID:0002276) +0401_00149 C8H15NO6 0.823 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-RTRLPJTCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00150 C8H15NO6 0.823 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-ZTVVOAFPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00151 C9H14N3O7P 0.824 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 NCMVOABPESMRCP-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0401_00152 C5H5N5 0.825 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0401_00153 C4H9NO2S 0.825 C(CS)C(C(=O)O)N InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7) FFFHZYDWPBMWHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00154 C6H10N2O4 0.825 CC(=O)N[C@@H](CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1 HXFOXFJUNFFYMO-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00155 C10H14N2 0.826 CN1CCC[C@H]1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0401_00156 C11H15N2O8P 0.828 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1 DAYLJWODMCOQEW-TURQNECASA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyridine nucleotides (CHEMONTID:0001297) Nicotinamide nucleotides (CHEMONTID:0001268) NA (NA) NA (NA) +0401_00157 C5H7N3O 0.829 CC1=C(NC(=O)N=C1)N InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0401_00158 C9H12N3O7P 0.829 C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 NMPZCCZXCOMSDQ-ZRTZXPPTSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0401_00159 C6H7N5 0.829 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0401_00160 C9H13N3O5 0.83 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 UHDGCWIWMRVCDJ-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0401_00161 C4H10N3O5P 0.83 CN(CC(=O)O)C(=NP(=O)(O)O)N InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) DRBBFCLWYRJSJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00162 C7H16NO2 0.83 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0401_00163 C8H16N2O3 0.831 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00164 C4H7NOS 0.831 C1CSC(=O)[C@H]1N InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1 KIWQWJKWBHZMDT-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00165 C5H11N3O2 0.832 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00166 C9H14N3O8P 0.833 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 UOOOPKANIPLQPU-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0401_00167 C5H9NO4S 0.834 C([C@@H](C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 GBFLZEXEOZUWRN-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00168 C9H13N3O4 0.836 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0401_00169 C8H9NO3 0.837 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0401_00170 C9H13NO3 0.839 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00171 C9H13NO3 0.839 CNC[C@@H](C1=CC(=C(C=C1)O)O)O InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 UCTWMZQNUQWSLP-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00172 C7H12O6 0.84 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 AAWZDTNXLSGCEK-LNVDRNJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0401_00173 C5H6N2O4 0.84 C1[C@H](NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 UFIVEPVSAGBUSI-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00174 C6H14N2O 0.843 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0401_00175 C3H5NO3 0.845 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00176 C6H11NO2 0.849 C1CCN[C@@H](C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 HXEACLLIILLPRG-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00177 C5H11NO2 0.854 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0401_00178 C6H6N2O2 0.856 C1=C(NC=N1)/C=C/C(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ LOIYMIARKYCTBW-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0401_00179 C8H11NO2 0.857 C1=CC(=CC=C1[C@H](CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 QHGUCRYDKWKLMG-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00180 C5H4N2O4 0.995 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0401_00181 C7H7NO3 1.088 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00182 C9H13NO2 1.091 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00183 C4H7NO3 1.1 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00184 C6H6O4S 1.114 C1=CC(=CC=C1O)S(=O)(=O)O InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10) FEPBITJSIHRMRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0401_00185 C4H4N2O2 1.115 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0401_00186 C4H6N2O2 1.115 C1CNC(=O)NC1=O InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) OIVLITBTBDPEFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0401_00187 C16H25N5O16P2 1.121 C1=NC2=C(N1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4?,5-,7?,8-,9?,10-,11?,14?,15?/m1/s1 MVMSCBBUIHUTGJ-YZUZGJIFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0401_00188 C6H5NO2 1.13 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00189 C6H5NO2 1.13 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00190 C5H11NO2S 1.131888889 [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3 FFEARJCKVFRZRR-OSIBIXDNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00191 C7H7NO3 1.139 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00192 C5H11NO2S 1.157 CSCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 FFEARJCKVFRZRR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00193 C6H9NO5 1.165 CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00194 C10H13N4O8P 1.202 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0401_00195 C6H6N2O 1.206 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0401_00196 C9H11NO4 1.207 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00197 C5H8O5 1.209 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0401_00198 C7H7NO3 1.211 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00199 C6H7NO 1.222 C1=CC=C(C(=C1)N)O InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 CDAWCLOXVUBKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0401_00200 C4H6O4 1.24 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00201 C8H13NO6 1.245 C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1 GNISQJGXJIDKDJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00202 C5H4N4O 1.265 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0401_00203 C9H13N2O8P 1.27 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 JSRLJPSBLDHEIO-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0401_00204 C7H5NO4 1.313 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00205 C6H8O7 1.32 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0401_00206 C10H13N4O9P 1.353 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 DCTLYFZHFGENCW-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0401_00207 C8H11NO3 1.387 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0401_00208 C5H4N2O4 1.399 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0401_00209 C7H7NO3 1.399 C1=CC(=C(C(=C1)N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11) IQGMRVWUTCYCST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00210 C11H19NO8 1.418 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 MNLRQHMNZILYPY-MKFCKLDKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0401_00211 C10H14N5O6P 1.42 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 KHWCHTKSEGGWEX-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0401_00212 C5H7NO3 1.422 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00213 C5H7NO3 1.422 C1CC(=O)N[C@@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 ODHCTXKNWHHXJC-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00214 C5H7NO3 1.422 C1CC(=O)N[C@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 ODHCTXKNWHHXJC-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00215 C4H4O4 1.429 C(=C/C(=O)O)\C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ VZCYOOQTPOCHFL-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00216 C10H12N2O4 1.432 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00217 C9H14N4O5 1.438 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1 RTRQQBHATOEIAF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, 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InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 ZJUKTBDSGOFHSH-WFMPWKQPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0401_00228 C5H9NO3 1.534 CCC(=O)NCC(=O)O InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) WOMAZEJKVZLLFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00229 C16H22N6O4 1.55 C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 XNSAINXGIQZQOO-SRVKXCTJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00230 C8H8N2O3 1.556 C1=CC(=CN=C1)C(=O)NCC(=O)O InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12) ZBSGKPYXQINNGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00231 C6H5N5O 1.563 C1=CN=C2C(=N1)C(=O)NC(=N2)N InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12) HNXQXTQTPAJEJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) NA (NA) NA (NA) +0401_00232 C10H15NO 1.577 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00233 C10H19NO4 1.587 CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3 UFAHZIUFPNSHSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00234 C6H13NO2 1.594 CC[C@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 AGPKZVBTJJNPAG-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00235 C6H13NO2 1.594 CC[C@@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 AGPKZVBTJJNPAG-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00236 C9H13NO 1.597 CNCCC1=CC=C(C=C1)O InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00237 C10H15N2O8P 1.615 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0401_00238 C5H9NO3 1.616 C[C@@H](C(=O)O)NC(=O)C InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 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Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0401_00244 C10H15N5O3 1.634 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0401_00245 C6H13NO2 1.634666667 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5- ROHFNLRQFUQHCH-LONBSJBQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues 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InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0401_00280 C6H6N4O2 1.821 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00281 C15H23N3O4S 1.999 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00282 C4H5NO4S 2 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0401_00283 C10H13N5O3 2.034 C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 XGYIMTFOTBMPFP-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0401_00284 C10H12N2O3 2.043 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00285 C13H22N4O3S 2.069 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00286 C8H8O4 2.078 C1=CC(=C(C=C1O)CC(=O)O)O InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0401_00287 C13H21NO3 2.09 CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 NDAUXUAQIAJITI-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0401_00288 C14H22N2O3 2.108 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00289 C10H14N2O5 2.108 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0401_00290 C11H13NO3 2.112 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00291 C11H15N5O4 2.115 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0401_00292 C3H7O7P 2.153 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0401_00293 C6H11NO3 2.205 CCCC(=O)NCC(=O)O InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) WPSSBBPLVMTKRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00294 C11H13N3O 2.211 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 JLSKPBDKNIXMBS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00295 C6H6O4 2.212 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0401_00296 C7H7NO2 2.214 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00297 C9H10N2O5 2.214 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 FBTSQILOGYXGMD-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00298 C7H8N4O3 2.265 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00299 C9H10N2O4 2.275 C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1 GTVVZTAFGPQSPC-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00300 C5H8O4 2.297 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00301 C7H8N4O2 2.305 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00302 C9H13N 2.32 CNCCC1=CC=CC=C1 InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 SASNBVQSOZSTPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00303 C10H15N 2.332 CN(C)CCC1=CC=CC=C1 InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 TXOFSCODFRHERQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0401_00304 C8H9NO2 2.346 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00305 C9H17NO5 2.37 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) +0401_00306 C9H17NO5 2.37 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0401_00307 C8H17NO2 2.373 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00308 C7H7NO3 2.389 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00309 C7H6O5 2.437 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00310 C6H8O4 2.486 C(/C=C/CC(=O)O)C(=O)O InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+ YHGNXQAFNHCBTK-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00311 C7H7NO3 2.489 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00312 C11H12N2O2 2.505111111 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D QIVBCDIJIAJPQS-HLTLGYGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00313 C4H8O4 2.508 C(CO)C(C(=O)O)O InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8) UFYGCFHQAXXBCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0401_00314 C7H8N4O3 2.561 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00315 C5H10O3 2.58 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00316 C11H12N2O2 2.581 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00317 C11H14N2 2.582 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00318 C10H12N2 2.588 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0401_00319 C6H6O3 2.595 CC1=C(C(=O)C=CO1)O InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 XPCTZQVDEJYUGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0401_00320 C7H8N4O2 2.596 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00321 C6H11NO3S 2.597 CSCC[C@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1 PYUSHNKNPOHWEZ-RXMQYKEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00322 C6H10O4 2.598 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00323 C15H16O9 2.599 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0401_00324 C11H15N5O3S 2.6 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0401_00325 C6H6O2 2.604 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0401_00326 C9H9NO4 2.624 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00327 C13H18O7 2.628 C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 NGFMICBWJRZIBI-UJPOAAIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0401_00328 C13H16N2O5 2.632 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0401_00329 C9H10O4 2.635 C1=CC(=CC=C1CC(C(=O)O)O)O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00330 C7H8N4O2 2.6645 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00331 C7H11NO3 2.668 C/C=C(\C)/C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+ WRUSVQOKJIDBLP-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00332 C7H5NO3S 2.67 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0401_00333 C15H14O6 2.676 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 PFTAWBLQPZVEMU-DZGCQCFKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0401_00334 C8H8O2 2.679 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00335 C7H6O3 2.687 C1=CC(=C(C=C1C=O)O)O InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H IBGBGRVKPALMCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0401_00336 C6H10O4 2.687 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00337 C9H7NO 2.705 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0401_00338 C6H6O2 2.714 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00339 C11H13NO4 2.716 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 CAHKINHBCWCHCF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00340 C8H7NO 2.721 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00341 C10H9NO3 2.734 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00342 C8H9NO 2.738 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0401_00343 C6H10O4 2.739 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00344 C7H13NO3 2.753 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00345 C7H13NO3S 2.772 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00346 C14H15NO7 2.772 C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 KUYNOZVWCFXSNE-BYNIDDHOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0401_00347 C12H14N2O2 2.777 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00348 C8H10N4O3 2.779 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00349 C19H19N7O6 2.794 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00350 C8H16N2O4S2 2.795 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00351 C8H16N2O4S2 2.795 C(CSSCC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 ZTVZLYBCZNMWCF-WDSKDSINSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00352 C6H8O4 2.804 C/C(=C\C(=O)O)/CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+ WKRBKYFIJPGYQC-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00353 C7H7NO3 2.815 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00354 C17H22N2O 2.839 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0401_00355 C7H13NO3 2.842 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00356 C16H18O9 2.854 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0401_00357 C7H6O3 2.885 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00358 C11H17NO3 2.897 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0401_00359 C10H7NO4 2.943 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00360 C9H8O4 2.946 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00361 C7H8O3S 2.957 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0401_00362 C9H9NO3 2.971555556 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00363 C7H7NO2 2.972 COC(=O)C1=CN=CC=C1 InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 YNBADRVTZLEFNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0401_00364 C21H31N3O5 2.984 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 RLAWWYSOJDYHDC-BZSNNMDCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00365 C10H7NO2 2.988 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00366 C8H8O3 2.989 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00367 C9H9NO3 2.994 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00368 C17H23NO3 2.995 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16? RKUNBYITZUJHSG-PJPHBNEVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0401_00369 C8H6O3 3.014 C1=CC=C(C(=C1)C=O)C(=O)O InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) DYNFCHNNOHNJFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0401_00370 C7H10O4 3.03 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0401_00371 C5H4O3 3.038 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0401_00372 C10H7NO3 3.047 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0401_00373 C13H16N2O4 3.064 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 JFLIEFSWGNOPJJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00374 C15H14O6 3.079 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0401_00375 C9H8O4 3.08 C1=CC(=C(C=C1/C=C\C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- QAIPRVGONGVQAS-RQOWECAXSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00376 C17H20N2O2 3.095 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00377 C9H10N2 3.103 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0401_00378 C6H10O2 3.141 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0401_00379 C8H9NO 3.144 C1=CC=C(C=C1)CC(=O)N InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0401_00380 C8H8O4 3.155 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00381 C8H8O5 3.159 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00382 C10H17NO5 3.163 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00383 C7H6O2 3.171 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0401_00384 C7H12O5 3.175 CC(C)[C@@](CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 BITYXLXUCSKTJS-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00385 C7H11NO2 3.183 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0401_00386 C8H6O4 3.188 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0401_00387 C10H16N2O3S 3.196 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0401_00388 C8H10N4O2 3.201 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00389 C9H10O5 3.218 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0401_00390 C6H6N4S 3.219 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0401_00391 C7H8O2 3.223 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00392 C16H19N3O4S 3.224 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0401_00393 C9H10O4 3.233 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00394 C7H12O4 3.235 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00395 C7H12O4 3.235 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00396 C10H17N 3.241 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00397 C17H20N4O6 3.255 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0401_00398 C7H6O3 3.27 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0401_00399 C10H10N2O 3.297 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00400 C10H11NO3 3.305 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00401 C14H18N2O5 3.332 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0401_00402 C6H12O3 3.346 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00403 C7H7NO2 3.352 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0401_00404 C10H11NO3 3.377 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0401_00405 C8H9NO 3.425 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00406 C7H7NO2 3.439 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0401_00407 C16H12O6 3.441 COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3 QVYSSMFEUBQBEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0401_00408 C7H8O3 3.443 CCC1=C(C(=O)C=CO1)O InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 YIKYNHJUKRTCJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0401_00409 C11H9NO3 3.447 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00410 C8H8O4 3.456 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0401_00411 C9H10O4 3.459 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0401_00412 C13H16N2O2 3.51 CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1 DABYEOZXRSTEGL-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00413 C8H7NO 3.54 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0401_00414 C10H17N3O6S 3.582 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0401_00415 C9H8O3 3.605 C1=CC(=CC=C1/C=C/C(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ NGSWKAQJJWESNS-ZZXKWVIFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00416 C6H12O3 3.649 CC(C)C[C@@H](C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 LVRFTAZAXQPQHI-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00417 C6H12O3 3.649 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0401_00418 C10H13N5 3.655 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0401_00419 C8H7NO 3.661 C1C2=CC=CC=C2NC1=O InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) JYGFTBXVXVMTGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0401_00420 C10H18N2O3 3.662 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 AUTOLBMXDDTRRT-JGVFFNPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00421 C10H10O4 3.666 COC1=C(C=CC(=C1)/C=C/C(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00422 C8H15NO3 3.685 CC(C)C[C@@H](C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 WXNXCEHXYPACJF-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00423 C9H10O3 3.693 CC(C1=CC=C(C=C1)O)C(=O)O InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12) ZHMMPVANGNPCBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00424 C11H11NO3 3.71 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00425 C9H7NO2 3.721 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0401_00426 C7H8O2 3.723 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0401_00427 C13H14N2O3 3.7425 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00428 C13H14N2O3 3.7425 CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1 DZTHIGRZJZPRDV-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00429 C13H14N2O3 3.792 C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1 FBDCJLXTUCMFLF-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00430 C11H13NO3 3.805 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00431 C9H10O3 3.823 C1=CC=C(C=C1)C[C@@H](C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 VOXXWSYKYCBWHO-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00432 C9H10O3 3.823 C1=CC=C(C=C1)C[C@H](C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 VOXXWSYKYCBWHO-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0401_00433 C8H15NO3 3.845 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00434 C13H16N2O2 3.851 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00435 C11H11NO3 3.883 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00436 C8H8O3 3.902 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0401_00437 C9H8O3 3.909 C1=CC(=CC(=C1)O)/C=C/C(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ KKSDGJDHHZEWEP-SNAWJCMRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0401_00438 C8H10O3 3.96 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0401_00439 C10H9NO2 3.979777778 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00440 C11H11NO3 3.981 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ YAADMLWHGMUGQL-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00441 C6H5NO3 3.989 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0401_00442 C14H12O3 4 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ LUKBXSAWLPMMSZ-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0401_00443 C3H4O3S 4.005 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0401_00444 C9H6O2 4.014 C1=CC=C2C(=C1)C=CC(=O)O2 InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0401_00445 C10H9NO2 4.019 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00446 C4H8O3 4.02 CC[C@@H](C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 AFENDNXGAFYKQO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0401_00447 C4H8O3 4.02 CC(C)(C(=O)O)O InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) BWLBGMIXKSTLSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0401_00448 C5H4N4O3 4.027 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0401_00449 C10H11NO 4.036 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00450 C18H16O8 4.058 C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0401_00451 C28H34O15 4.07 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 ARGKVCXINMKCAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0401_00452 C16H21NO2 4.101 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0401_00453 C7H12O4 4.114 CCOC(=O)CC(=O)OCC InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3 IYXGSMUGOJNHAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0401_00454 C15H10O8 4.131 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0401_00455 C10H12O5 4.139 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 ZTHYODDOHIVTJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0401_00456 C17H19N3O3S 4.162 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0401_00457 C17H21NO 4.177 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0401_00458 C9H10O4 4.197 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00459 C9H11NO2 4.227 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0401_00460 C12H21N 4.227 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0401_00461 C9H9NO 4.23 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0401_00462 C16H28N2O4 4.245 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0401_00463 C12H24O11 4.245 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1 VQHSOMBJVWLPSR-WUJBLJFYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0401_00464 C23H32N6O4S 4.256 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00465 C19H21NO 4.259 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- ODQWQRRAPPTVAG-BOPFTXTBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0401_00466 C8H8O4 4.275 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0401_00467 C6H12O6 4.29 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-GASJEMHNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00468 C6H12O6 4.29 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-SVZMEOIVSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00469 C6H12O6 4.29 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00470 C6H12O6 4.29 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1 LKDRXBCSQODPBY-OEXCPVAWSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0401_00471 C6H12O6 4.29 C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1 WQZGKKKJIJFFOK-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0401_00472 C22H26N2O4S 4.334 CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 HSUGRBWQSSZJOP-RTWAWAEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0401_00473 C12H10N4O2 4.338 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0401_00474 C16H22O11 4.341 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1 LPTITAGPBXDDGR-IBEHDNSVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Pentacarboxylic acids and derivatives (CHEMONTID:0002995) NA (NA) NA (NA) +0401_00475 C9H6O2 4.35 C1=CC=C(C=C1)C#CC(=O)O InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) XNERWVPQCYSMLC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0401_00476 C9H16O4 4.354 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00477 C27H38N2O4 4.364 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0401_00478 C15H29NO4 4.387 CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1 CXTATJFJDMJMIY-CYBMUJFWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00479 C11H11NO2 4.399 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0401_00480 C11H9NO2 4.399 C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- PLVPPLCLBIEYEA-WAYWQWQTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0401_00481 C26H29N3O6 4.403 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ZBBHBTPTTSWHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0401_00482 C8H15NOS2 4.405 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0401_00483 C8H14O4 4.424 CCOC(=O)CCC(=O)OCC InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 DKMROQRQHGEIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0401_00484 C19H32N2O5 4.436 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1 IPVQLZZIHOAWMC-QXKUPLGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0401_00485 C18H24O3 4.456 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0401_00486 C17H21NO 4.501 CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 VHGCDTVCOLNTBX-QGZVFWFLSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0401_00487 C8H7N 4.552 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0401_00488 C20H31NO 4.568 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2 HWHLPVGTWGOCJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0401_00489 C19H24N2 4.578 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0401_00490 C37H67NO13 4.594 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0401_00491 C9H14O5 4.604 CCOC(=O)C(C)C(=O)C(=O)OCC InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3 OQOCQBJWOCRPQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Beta-keto acids and derivatives (CHEMONTID:0001114) NA (NA) NA (NA) +0401_00492 C9H18O2 4.609 CCCCCCCCC(=O)O InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) FBUKVWPVBMHYJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00493 C11H11NO2 4.644 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00494 C16H29N3O6S 4.65 CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 HXJDWCWJDCOHDG-RYUDHWBXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0401_00495 C20H23N 4.678 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0401_00496 C21H28O5 4.679 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00497 C9H8O2 4.685 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0401_00498 C12H13NO2 4.707 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0401_00499 C5H8O3 4.71 CC(C)C(=O)C(=O)O InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) QHKABHOOEWYVLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0401_00500 C10H18O4 4.748 C(CCCCC(=O)O)CCCC(=O)O InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CXMXRPHRNRROMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00501 C26H45NO6S 4.795 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 BHTRKEVKTKCXOH-LBSADWJPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0401_00502 C21H30O5 4.827 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1 JYGXADMDTFJGBT-CZFMHFDVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00503 C10H10O2 4.847 COC1=CC=CC=C1/C=C/C=O InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+ KKVZAVRSVHUSPL-GQCTYLIASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0401_00504 C10H20O3 4.878 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00505 C14H16N2O2 4.883 CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 NPUKDXXFDDZOKR-LLVKDONJSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0401_00506 C12H18N2O3S 4.947 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0401_00507 C21H26N2S2 4.992 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0401_00508 C17H33NO4 5.002 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3 LZOSYCMHQXPBFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00509 C12H13NO2 5.014 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0401_00510 C8H16O3 5.024 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00511 C10H19NO3 5.05 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00512 C10H12O2 5.062 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0401_00513 C10H12O3 5.083 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0401_00514 C17H18N2O6 5.101 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0401_00515 C21H30O4 5.111 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 OMFXVFTZEKFJBZ-HJTSIMOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00516 C21H30O4 5.111 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0401_00517 C23H32O6 5.113 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 ALEXXDVDDISNDU-JZYPGELDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0401_00518 C8H8O3 5.125 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0401_00519 C16H12O4 5.133 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0401_00520 C15H14O4 5.165 CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3 RYWSYCQQUDFMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0401_00521 C16H14O3 5.201 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0401_00522 C24H40O5 5.223 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1 BHQCQFFYRZLCQQ-UTLSPDKDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0401_00523 C26H29NO 5.234 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- NKANXQFJJICGDU-QPLCGJKRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0401_00524 C19H37NO4 5.245 CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1 FUJLYHJROOYKRA-QGZVFWFLSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0401_00525 C11H14O2 5.273 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00526 C18H39NO2 5.302 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0401_00527 C12H24O3 5.303 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0401_00528 C24H29N5O3 5.319 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0401_00529 C22H28O3 5.323 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0401_00530 C36H38N4O8 5.334 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0401_00531 C8H16O2 5.344 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0401_00532 C8H16O2 5.352777778 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0401_00533 C26H43NO6 5.394 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 RFDAIACWWDREDC-FRVQLJSFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) diff --git a/processed_data/0401/0401_validation_qspr_outliers.tsv b/processed_data/0401/0401_validation_qspr_outliers.tsv new file mode 100644 index 000000000..4ae1b1722 --- /dev/null +++ b/processed_data/0401/0401_validation_qspr_outliers.tsv @@ -0,0 +1,23 @@ +id error +0401_00210 2.033230644804549 +0401_00215 1.3687561216572888 +0401_00218 1.5370687323447152 +0401_00219 1.2511274808618251 +0401_00259 1.154579914061416 +0401_00261 1.4960958584594564 +0401_00270 2.1317594625699243 +0401_00275 1.4419262600017775 +0401_00278 2.6400695377507324 +0401_00285 1.739848128696332 +0401_00290 1.686849135977905 +0401_00315 1.2866200627315263 +0401_00371 1.8768715685744013 +0401_00392 1.6534809556937675 +0401_00414 1.9856302016788916 +0401_00441 1.3672664962654317 +0401_00447 1.2661413803610775 +0401_00448 2.609366255002654 +0401_00487 1.6333427736281827 +0401_00494 1.777767586648066 +0401_00499 1.6096938955966489 +0401_00518 1.504107879598576 diff --git a/processed_data/0402/0402_descriptors_canonical_success.tsv b/processed_data/0402/0402_descriptors_canonical_success.tsv new file mode 100644 index 000000000..337dcd9ae --- /dev/null +++ b/processed_data/0402/0402_descriptors_canonical_success.tsv @@ -0,0 +1,537 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0402_00001 11.998999999999993 30.97893751353866 -0.31536742205584256 0.46569707537059546 2.7190585937499945 8.71326103949204 1 -11.406000000000002 660.0356369912573 4 12 -1.1799999999999997 5 10 36 0 54 0 0 -7.926 62.821476000000004 102.6258 12 1 0 1 0 0 0 0 1 0 0 0 0.6962371490835915 192 3300 51 68.76827772576067 1.9102299368266853 80.35113023613707 60.83801054542085 0 6.169925001442312 459.4200000000001 0.5 0.3333333333333333 0 0 0 0 0 0 0 9.125465128398087 0 0 23.113880376830096 22.38868905216559 4.0236922799991275 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 6 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34.02777777777778 11.238888888888889 13.08230452674897 1 1656.3 0.16666666666666666 546 28.706742302257034 15.570810086342819 20.571833565195952 8.388108005069983 7.964196758278454 7.8481311422712015 5.902820567805841 5.476551359150158 17.75658057798775 10.303994659606227 8.154253505833285 4.275247139386526 3.6296142233868802 2.8285745906525714 1.8959720797936916 1.244682741280962 6.1799924845999445 10.876313693797675 18.572584849632335 1.7820323277529244 2.9854491491916897 4.235743184254676 10.180457611606652 2.1213203435596424 0.33333333333333337 0 1.7293006952001242 0.13423121104280486 0.1111111111111111 0 0 0 0 0.037037037037037035 0.15713484026367722 0 0 0 0.037037037037037035 0.09072184232530289 0 0 0 0 0 0 6 0 0 982.873438956207 1217.8223428518659 1829.2486037518615 2064.2204287829586 2349.400345782713 88.48973965469305 96.43858958804111 101.33902674205328 84.55564900119904 138.7637715894127 2.6122215056003584 -2.2210100698478783 1.2351128257351531 0.5887177021891816 -1.3232517653165714 12 24 81.80172599999999 63.59027399999998 +0402_00002 11.993426471047409 30.974764614003014 -0.3859960310495222 0.45016450951285375 2.4780195725740435 9.901969515527071 0.5 -5.682999999999999 427.20155884614076 2 6 0.69 10 12 29 0 42 0 0 -4.4276 19.60364176 85.38970000000002 4 3 2 2 1 0 0 2 1 0 0 0 0.5829574994617703 148 1785 41 54.01424121317385 2.0005274523397722 47.700368723122565 25.876376911506057 15.35849586994878 5.857980995127573 248.93999999999997 0.8333333333333334 0.45454545454545453 0 0 0 0 0.5777570356662537 6.586065652550434 0 8.25020561791714 0 0 4.251978006925363 5.438156165721555 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54,57,64,67,89,120,129,132,134,139,153,163,168,244,245,256,266,302,309,319,337,347,369,374,405,412,422,461,481,486,506,508,524,532,555,582,588,615,626,631,638,662,669,680,692,693,719,720,743,763,783,785,791,792,796,797,860,868,876,887,889,919,936,954,968,974 +0402_00101 20,94,128,153,163,278,480,508,516,528,626,727,767,804,811,850,927,970 +0402_00102 20,94,107,153,196,207,326,390,508,515,531,576,626,708,727 +0402_00103 20,69,94,107,118,123,141,153,207,231,237,242,250,321,348,363,441,447,481,508,540,626,635,727,735,803,915,923,949 +0402_00104 20,35,36,43,82,86,89,110,114,146,153,166,236,298,324,347,369,432,461,481,508,555,607,609,626,647,687,698,719,785,791,830,894,905,917,936,974 +0402_00105 15,20,26,88,89,94,171,213,279,318,490,508,570,599,600,626,675,719,727,819,822,836,855,936 +0402_00106 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0402_00107 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20,54,57,65,70,84,89,134,138,139,153,163,165,210,245,256,267,269,300,302,347,364,369,374,402,405,412,430,445,452,460,461,465,481,492,508,523,524,540,555,560,596,600,615,626,638,657,680,692,700,716,718,719,763,765,785,791,833,846,877,887,911,919,928,932,936,948,952,954,965,968,974,976,994 +0402_00112 15,19,54,56,57,65,79,89,122,134,139,150,153,161,172,269,300,318,319,347,349,361,364,405,422,436,445,446,452,461,475,481,486,492,508,524,525,555,558,566,580,588,600,625,626,629,672,678,690,692,728,755,760,763,783,784,787,791,836,850,887,900,920,930,936,954,960,964,968,974,975,1019 +0402_00113 15,20,89,94,134,216,218,223,240,245,289,317,321,401,456,508,513,527,540,604,626,727,743,833,836,936,953,968,1009 +0402_00114 20,94,99,153,174,270,341,360,480,481,504,508,516,530,539,541,554,626,727,752,857,986 +0402_00115 20,94,107,118,141,153,207,231,250,298,441,481,508,515,626,635,679,727,778 +0402_00116 20,33,63,77,94,95,128,153,270,366,439,480,481,501,508,516,626,649,727,871,927,1019 +0402_00117 20,94,107,205,207,390,508,626,727,802,909,948 +0402_00118 4,6,15,20,26,89,94,140,150,153,178,185,207,216,223,250,263,326,390,395,461,474,486,492,508,516,570,576,587,626,632,704,720,727,757,762,770,819,829,836,837,855,874,896,936,946,948,960,1016,1023 +0402_00119 20,94,107,118,141,153,175,186,207,387,481,508,626,635,727,967,1006 +0402_00120 20,21,94,107,118,120,141,153,207,231,250,291,313,347,402,430,475,480,481,485,508,530,544,545,626,635,640,727,752,797,850,950,1019,1022 +0402_00121 20,94,107,153,196,207,231,326,348,390,508,531,626,629,666,727,781,1022 +0402_00122 20,94,107,205,207,390,508,626,727,802,909,948 +0402_00123 20,76,94,107,141,153,207,306,326,390,406,481,508,538,544,576,626,697,704,726,727,796,865,874,959,992 +0402_00124 20,83,94,107,118,141,153,207,341,353,440,481,508,511,626,634,635,727 +0402_00125 20,34,45,94,107,118,141,146,153,197,207,231,236,250,481,485,508,522,626,635,644,675,727,875,889,898,918,948 +0402_00126 45,77,92,139,146,153,236,413,481,508,609,626,913 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20,94,107,141,207,335,481,508,626,727,802,867,948 +0402_00140 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0402_00141 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 +0402_00142 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 +0402_00143 15,20,26,94,131,222,481,508,570,608,626,727,985 +0402_00144 20,77,94,107,118,141,146,153,207,210,231,250,301,390,481,491,508,626,635,637,726,727,779,849,859,1020 +0402_00145 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0402_00146 54,57,84,138,142,153,207,267,292,320,326,347,390,422,429,430,474,508,540,576,600,626,700,718,734,763,779,833,845,877,911,919,921,932,948,954,955,994 +0402_00147 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00148 20,94,107,141,207,390,406,423,481,508,544,563,621,626,727,802,948 +0402_00149 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00150 20,77,94,107,118,141,153,207,231,250,436,441,481,483,487,508,626,635,679,727,778,877,913 +0402_00151 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0402_00152 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0402_00153 54,57,84,138,142,153,207,267,292,320,326,347,390,422,429,430,474,508,540,576,600,626,700,718,734,763,779,833,845,877,911,919,921,932,948,954,955,994 +0402_00154 20,77,94,107,118,141,153,207,231,250,436,441,481,483,487,508,626,635,679,727,778,877,913 +0402_00155 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00156 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00157 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0402_00158 153,207,326,390,538,576,626,697,704,726,874,992,997 +0402_00159 20,77,94,107,118,141,153,185,207,225,231,250,424,436,441,458,481,508,626,635,679,727,778,913,916 +0402_00160 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0402_00161 20,51,94,107,118,141,153,174,207,231,250,270,341,360,441,481,504,508,516,552,558,626,635,636,643,679,727,778,789,986 +0402_00162 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00163 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0402_00164 20,94,107,153,176,207,326,508,541,576,626,677,727,802,942,948 +0402_00165 5,15,23,30,89,158,314,461,577,579,626,647,711,719,782,836,887,918,936,959,993 +0402_00166 20,39,47,55,89,134,151,245,264,276,341,481,492,506,508,516,600,662,677,727,761,767,782,836,874,886,981,986 +0402_00167 153,207,326,390,538,576,626,697,704,726,874,992,997 +0402_00168 20,94,153,156,259,261,268,313,341,480,481,508,626,651,659,727,756,862 +0402_00169 36,82,89,110,153,166,240,311,324,326,327,330,369,461,481,626,647,671,687,698,719,791,830,894,936,974,1008 +0402_00170 5,15,26,52,89,139,153,198,212,263,280,326,414,452,461,468,478,626,677,710,711,719,823,828,836,855,883,936,954 +0402_00171 20,138,146,153,320,387,423,508,530,575,606,700,718,727,778,833,859,919,924,932,944,948 +0402_00172 69,153,207,326,390,495,538,576,626,697,704,874,892 +0402_00173 20,94,134,153,207,213,277,390,480,508,511,626,661,727,802,948 +0402_00174 20,94,126,144,172,214,305,481,508,626,727,948,977 +0402_00175 69,153,207,326,390,495,538,576,626,697,704,874,892 +0402_00176 20,94,107,118,141,153,207,254,481,508,527,626,635,727,948,994,1006 +0402_00177 20,77,94,107,153,207,481,508,541,590,626,677,727,802,849,929,948 +0402_00178 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00179 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0402_00180 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 +0402_00181 69,153,207,326,390,495,538,576,626,697,704,874,892 +0402_00182 5,15,23,30,89,158,314,461,577,579,626,647,711,719,782,836,887,918,936,959,993 +0402_00183 20,31,86,94,134,137,223,245,351,456,489,506,508,513,626,662,672,727,731,766,866,928,930,968,971,981,997 +0402_00184 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0402_00185 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0402_00186 15,54,57,89,122,134,139,153,155,161,167,169,236,245,266,277,347,434,446,452,461,506,508,524,555,569,582,584,588,612,626,657,662,692,693,743,763,766,784,791,805,806,836,850,920,930,936,952,954,964,968,974,1019 +0402_00187 20,153,203,207,259,325,326,390,397,507,508,538,576,626,665,697,704,727,842,844,874,898,936,969 +0402_00188 20,29,88,94,117,134,153,195,245,334,387,395,405,479,480,508,522,626,662,727,787,938,968 +0402_00189 20,83,94,107,134,141,180,207,252,270,350,481,508,550,611,620,626,640,647,676,727,733,947,968,975,984,991 +0402_00190 22,36,73,89,98,153,168,170,216,227,240,260,311,326,327,330,346,347,369,435,439,458,461,467,495,562,576,608,626,647,651,660,719,727,787,791,804,883,936,959,974,1014 +0402_00191 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0402_00192 22,36,73,89,153,311,326,327,330,366,369,461,495,562,626,637,647,671,719,786,791,936,959,974 +0402_00193 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 +0402_00194 54,89,114,117,134,150,153,207,245,250,258,326,390,461,506,508,534,555,574,576,604,626,670,719,782,878,886,906,936 +0402_00195 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0402_00196 5,15,23,30,89,158,314,461,577,579,626,647,711,719,782,836,887,918,936,959,993 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20,77,94,107,153,196,207,254,390,508,531,626,662,727,948,994 +0402_00214 15,20,77,89,94,153,160,202,364,454,481,508,626,677,727,742,772,819,822,846,862,863,934,993 +0402_00215 20,93,94,107,118,141,153,207,231,250,259,261,341,441,481,490,508,626,635,642,657,659,679,698,704,727,756,778,833,915 +0402_00216 10,11,14,20,26,38,64,88,93,94,107,113,134,136,141,152,153,159,199,203,207,231,245,247,261,274,289,297,306,310,321,349,357,374,383,393,405,410,426,461,475,480,481,506,508,511,512,516,518,530,550,580,582,593,602,606,613,615,625,626,635,662,673,676,727,739,752,789,821,860,866,879,887,889,893,897,943,960,968,1017 +0402_00217 22,36,73,89,98,153,168,170,216,227,240,260,311,326,327,330,346,347,369,435,439,458,461,467,495,562,576,608,626,647,651,660,719,727,787,791,804,883,936,959,974,1014 +0402_00218 20,29,94,100,106,107,134,167,207,251,292,390,474,487,508,515,523,527,550,586,623,626,627,640,647,676,727,781,792,866,968 +0402_00219 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134,153,245,326,368,372,420,454,479,506,508,582,592,626,660,662,727,771,786,812,837,881,896,937,956,968,981 +0402_00232 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0402_00233 22,36,73,89,98,153,168,170,216,227,240,260,311,326,327,330,346,347,369,435,439,458,461,467,495,562,576,608,626,647,651,660,719,727,787,791,804,883,936,959,974,1014 +0402_00234 20,94,107,153,206,207,254,326,445,508,576,626,671,727,744,832,948,994 +0402_00235 13,20,94,144,153,216,240,305,357,373,413,508,626,727,948,977,994 +0402_00236 5,15,26,52,89,139,153,198,212,263,280,326,414,452,461,468,478,626,677,710,711,719,823,828,836,855,883,936,954 +0402_00237 20,89,99,134,153,155,199,232,270,275,288,310,311,319,326,327,330,341,369,374,405,422,432,436,461,470,481,492,508,524,614,622,626,671,680,719,727,773,791,894,919,936,948,968,974 +0402_00238 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20,36,89,153,178,192,257,263,311,326,327,330,369,376,451,461,474,492,508,516,534,545,626,647,671,687,719,727,762,791,936,948,960,974 +0402_00255 15,54,89,117,134,137,150,207,219,245,250,278,357,390,461,508,534,602,604,626,656,670,684,719,782,850,906,936,951 +0402_00256 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0402_00257 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0402_00258 26,41,73,89,139,153,170,198,263,266,311,326,327,330,336,339,346,347,369,392,414,435,461,474,505,547,555,562,579,613,626,645,660,667,707,719,732,734,787,791,829,855,883,929,936,974,994 +0402_00259 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0402_00260 20,36,89,153,178,192,257,263,311,326,327,330,369,376,451,461,474,492,508,516,534,545,626,647,671,687,719,727,762,791,936,948,960,974 +0402_00261 20,77,88,94,107,117,122,134,153,195,207,281,285,310,338,366,387,389,395,405,479,481,508,516,530,551,602,626,662,668,673,727,739,757,787,866,913,938,965,968,989,999 +0402_00262 5,15,19,20,44,54,56,57,65,89,124,134,139,153,163,165,172,192,194,200,240,256,269,300,302,319,340,341,347,364,369,374,405,412,422,432,436,461,464,465,475,479,481,486,492,508,509,524,525,531,539,555,558,566,580,600,603,625,626,629,633,638,655,657,678,680,687,690,692,707,719,723,727,728,733,755,763,783,785,791,793,810,842,847,887,900,905,918,919,936,954,959,960,968,974,975 +0402_00263 89,93,134,150,153,242,245,288,311,326,330,360,369,461,508,534,604,626,657,658,663,670,719,791,892,906,936,953 +0402_00264 15,54,57,89,122,134,139,153,161,173,185,220,245,266,340,347,370,379,446,452,461,506,508,524,533,538,555,569,575,580,582,584,588,626,649,662,671,675,692,693,743,763,784,791,806,836,841,850,918,920,930,936,948,954,964,968,974,1019 +0402_00265 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20,52,72,91,94,107,118,134,138,141,153,182,207,226,270,281,304,353,417,453,474,481,508,515,550,626,635,640,657,697,710,727,753,766,773,808,819,937,968,971,989 +0402_00291 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 +0402_00292 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0402_00293 15,20,32,89,94,123,139,233,237,276,404,427,451,473,474,508,590,614,626,662,677,727,770,772 +0402_00294 20,94,107,153,167,186,207,226,289,387,479,508,516,602,626,673,727,739,762,797,948,960,1006 +0402_00295 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0402_00296 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0402_00297 20,75,94,106,144,153,298,373,480,508,545,626,727,767,948,977 +0402_00298 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0402_00299 20,138,153,197,207,301,387,390,434,508,511,526,575,626,627,700,707,727,754,779,831,833,919,932,948 +0402_00300 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0402_00301 20,44,54,57,67,71,77,89,123,125,132,134,137,139,153,163,165,168,235,244,245,256,269,300,302,317,319,341,347,357,361,364,369,374,392,396,405,412,422,432,436,461,475,479,480,481,486,487,492,508,524,543,544,550,555,582,599,600,603,612,614,626,627,631,638,662,680,689,692,699,704,719,720,725,727,763,783,785,787,791,797,810,831,836,843,866,871,881,897,898,899,900,918,919,936,948,954,963,968,974 +0402_00302 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0402_00303 88,117,134,141,153,173,180,195,207,266,326,365,387,395,405,423,479,481,557,576,626,662,787,866,867,968,989 +0402_00304 20,77,118,153,270,272,360,364,424,436,480,481,508,516,630,632,633,643,727,762,778,913,948,960 +0402_00305 20,94,113,134,153,231,270,281,353,481,492,508,512,522,549,550,591,620,626,640,676,702,719,727,733,947,968,970 +0402_00306 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0402_00307 15,19,54,56,57,65,89,122,134,139,153,161,172,266,318,319,347,349,361,405,422,436,445,446,452,461,481,486,508,524,525,555,558,566,580,584,588,625,626,629,678,690,692,693,728,743,755,760,763,783,784,791,836,850,887,920,930,936,954,960,964,968,974,975,1019 +0402_00308 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0402_00309 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0402_00310 65,70,89,134,139,153,163,199,207,245,311,326,327,330,369,374,405,452,460,461,465,481,508,523,524,560,596,615,626,638,657,680,716,719,765,791,833,887,919,928,936,952,968,974,976 +0402_00311 20,27,29,75,94,134,153,226,235,241,334,353,423,469,480,508,515,522,534,550,626,640,665,676,718,719,727,758,777,947,968 +0402_00312 20,32,94,107,153,188,196,207,211,231,320,363,390,508,531,626,635,727,881,915,948,992,1015,1022 +0402_00313 20,35,94,107,134,153,196,207,208,270,281,390,508,531,550,558,613,620,626,640,676,678,727,733,819,947,968,970,976,989 +0402_00314 20,68,94,134,153,211,283,296,322,328,342,353,456,487,508,534,546,550,626,640,727,781,791,849,928,968 +0402_00315 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0402_00316 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0402_00317 6,20,94,96,107,134,145,167,207,251,390,421,487,508,523,550,601,626,647,727,758,772,866,930,968 +0402_00318 20,94,315,449,508,626,692,719,727,755,762,850,916,930,948 +0402_00319 35,83,134,173,220,245,248,317,374,385,405,421,422,481,506,508,557,622,662,668,686,738,887,948,958,968 +0402_00320 20,29,68,94,134,170,181,226,352,353,456,489,496,508,515,550,626,635,640,657,665,676,727,928,947,968 +0402_00321 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0402_00322 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0402_00323 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0402_00324 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0402_00325 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0402_00326 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0402_00327 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0402_00328 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0402_00329 20,67,94,119,128,134,153,256,270,295,359,374,461,480,485,508,516,529,552,589,626,654,717,727,739,804,871,927,968,1008 +0402_00330 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0402_00331 15,42,89,122,134,139,153,199,228,245,311,326,330,405,452,460,461,465,481,508,523,524,560,596,615,626,632,657,716,765,776,782,791,833,836,850,887,920,928,930,936,952,964,968,974,1019 +0402_00332 20,62,93,94,96,107,134,141,145,153,207,210,230,251,270,310,352,421,427,459,480,481,487,498,508,511,516,550,558,588,602,626,635,667,673,727,732,739,840,842,917,952,968,989 +0402_00333 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0402_00334 20,56,94,107,153,188,207,231,250,278,363,387,480,508,516,523,602,626,673,709,723,727,811,850,881,915,948,992,995,996,1015 +0402_00335 20,31,68,94,96,134,211,265,315,387,442,456,481,487,508,550,626,699,727,887,928,941,968,992 +0402_00336 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0402_00337 20,34,89,134,139,153,163,199,207,219,311,319,321,326,327,330,341,342,369,374,384,405,422,432,461,481,508,524,567,578,626,638,652,665,680,711,719,727,783,791,842,887,919,936,968,974 +0402_00338 32,102,134,153,220,221,234,264,278,326,328,349,357,387,393,405,420,499,503,508,580,605,614,626,640,708,719,734,850,906,918,948,968 +0402_00339 20,62,94,107,118,141,153,207,231,250,335,441,481,494,508,626,635,679,727,778,826,948,994,1017 +0402_00340 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0402_00341 20,29,94,134,153,203,268,270,334,432,455,480,487,508,515,522,550,586,588,626,640,674,676,727,781,792,822,857,968 +0402_00342 41,65,69,88,134,245,262,328,396,407,479,506,508,524,583,585,603,662,679,686,754,773,784,806,937,940,948,969 +0402_00343 73,89,134,147,153,170,220,260,296,311,326,327,330,346,347,369,435,461,473,550,562,597,620,626,628,640,660,676,719,724,733,787,791,800,812,882,902,927,936,947,968,974 +0402_00344 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0402_00345 4,15,32,64,67,89,120,129,132,134,139,146,163,168,238,244,245,252,269,288,309,319,326,337,369,383,405,422,461,481,486,506,508,524,525,532,539,540,582,598,615,626,631,634,662,669,701,711,719,783,792,797,815,816,860,868,876,887,889,905,908,919,936,952,968,974,979,1009 +0402_00346 15,89,122,134,139,153,155,167,169,199,236,245,277,311,326,330,434,452,461,506,508,524,569,582,612,626,632,657,662,766,782,791,805,806,836,850,920,930,936,952,964,968,974,1019 +0402_00347 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 +0402_00348 4,20,71,94,134,153,175,201,203,226,270,278,281,334,347,353,394,408,432,480,508,515,522,549,550,626,640,666,705,706,727,778,858,948,968 +0402_00349 20,29,50,52,64,94,107,118,134,141,153,207,322,354,372,383,479,481,506,508,515,522,541,550,626,635,640,654,662,676,727,762,778,797,812,833,849,893,896,921,947,951,968,974,989 +0402_00350 67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 +0402_00351 20,29,94,128,134,153,206,256,270,298,359,374,436,445,480,485,487,508,515,516,550,586,626,640,676,708,727,781,792,864,871,897,898,927,968,1011 +0402_00352 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 +0402_00353 73,134,153,283,328,353,487,521,546,550,592,626,640,781,968 +0402_00354 15,47,89,134,226,245,260,294,467,506,508,604,662,675,709,723,776,779,789,836,874,948,981,1020 +0402_00355 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0402_00356 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0402_00357 20,77,94,153,299,391,424,436,480,481,497,508,530,556,626,662,727,752,778,803,864,913,918,976 +0402_00358 134,409,550,620,626,640,676,733,947,968 +0402_00359 98,122,134,153,159,207,211,227,270,297,350,390,516,522,550,620,626,640,647,676,733,782,787,802,940,947,948,968,998 +0402_00360 7,20,94,107,153,207,236,254,318,390,508,542,626,727,748,802,868,936,948,994 +0402_00361 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0402_00362 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 +0402_00363 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0402_00364 20,31,94,96,107,125,134,138,145,177,203,207,297,298,374,390,415,421,435,487,508,516,550,597,626,727,739,783,897,898,968,992 +0402_00365 1,20,35,89,134,220,225,239,245,248,350,383,398,461,491,508,513,540,678,727,748,762,775,813,830,855,906,948,968 +0402_00366 20,39,49,94,107,153,196,207,390,439,447,508,527,531,626,727,749,802,948 +0402_00367 20,94,107,153,167,188,207,231,363,415,508,512,516,523,526,602,613,626,673,727,739,762,797,881,915,948,960,992,995,1015 +0402_00368 20,68,94,96,98,134,155,183,242,258,295,360,386,405,439,452,456,477,487,494,508,550,568,580,585,616,626,684,725,727,776,928,936,968,970,1012 +0402_00369 19,56,65,89,134,139,146,153,172,192,252,269,311,313,319,326,330,338,374,379,388,405,422,436,443,459,461,464,467,481,486,492,508,524,525,539,558,564,566,580,609,625,626,629,678,690,727,728,755,783,791,805,807,816,887,919,959,960,968,974,975,1009 +0402_00370 20,81,116,123,134,170,272,341,385,393,405,432,481,487,508,550,585,725,727,850,880,897,898,922,968 +0402_00371 1,20,31,57,68,96,134,158,181,211,283,314,322,353,374,487,508,516,550,576,626,640,675,724,727,749,782,968 +0402_00372 20,34,94,128,153,167,212,264,270,315,353,449,480,508,516,594,626,637,692,727,762,778,850,871,927,930,948 +0402_00373 20,94,128,153,194,207,252,253,254,257,270,299,480,508,516,541,626,692,727,802,871,917,921,927,943,948,994 +0402_00374 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0402_00375 4,6,20,94,101,134,186,195,198,211,347,408,456,487,508,549,550,626,689,705,727,778,781,892,948,968 +0402_00376 20,22,31,68,94,96,134,182,211,220,267,349,367,456,487,508,550,626,727,748,906,928,948,968 +0402_00377 20,31,62,68,83,94,96,107,118,134,141,153,207,211,231,265,279,315,347,387,442,481,487,508,511,550,563,626,635,699,727,748,859,887,968,1001,1022 +0402_00378 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0402_00379 12,20,21,29,94,134,153,268,270,305,455,457,480,487,508,515,530,550,586,588,626,633,635,640,676,711,727,752,781,786,792,898,968 +0402_00380 20,94,96,134,145,292,298,421,487,499,508,550,626,707,719,727,783,897,898,911,968 +0402_00381 20,84,94,95,177,261,315,469,508,514,516,551,575,626,727,817,850,913,948,992 +0402_00382 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0402_00383 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0402_00384 4,15,19,32,56,65,89,124,134,139,146,163,172,192,238,252,269,288,319,326,369,383,405,422,436,453,461,464,481,486,508,524,525,539,540,558,566,580,598,625,626,629,678,690,701,711,719,728,755,783,815,816,887,905,908,919,936,952,959,960,968,974,975,979,1009 +0402_00385 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0402_00386 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0402_00387 20,135,155,186,508,727,762,948 +0402_00388 15,20,26,88,89,117,134,147,153,163,175,190,195,201,207,237,245,253,264,340,341,347,369,371,376,387,389,395,397,405,415,456,479,481,488,508,515,516,518,524,554,584,590,647,662,672,673,715,727,739,749,772,777,787,864,866,884,934,938,942,968,981,989,1022 +0402_00389 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0402_00390 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0402_00391 134,138,180,242,417,453,505,508,550,620,626,637,640,657,676,733,771,792,947,950,968,989 +0402_00392 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0402_00393 49,134,153,178,226,270,281,360,440,443,516,550,620,626,640,676,697,733,786,802,812,894,947,948,968,970,998 +0402_00394 20,75,78,94,96,134,153,283,334,335,353,427,480,487,508,522,533,550,626,640,675,696,719,727,758,848,945,968 +0402_00395 20,49,94,153,207,296,353,508,511,591,626,719,727,802,885,941,948,974 +0402_00396 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0402_00397 1,20,31,68,94,96,121,128,134,153,181,211,213,256,270,283,353,359,374,480,487,500,508,516,535,550,576,626,640,675,724,727,871,927,968 +0402_00398 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0402_00399 12,20,49,94,134,141,153,178,270,281,305,457,480,508,530,550,620,626,640,676,727,733,752,786,872,947,968,970 +0402_00400 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0402_00401 4,36,134,201,226,278,347,349,353,437,508,515,549,550,626,640,666,685,688,705,712,731,778,825,850,858,931,948,968,990,999 +0402_00402 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +0402_00403 6,20,80,94,101,102,106,134,153,220,234,264,326,328,387,393,405,420,456,508,552,580,605,626,640,646,674,685,708,719,727,737,845,948,968 +0402_00404 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0402_00405 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 +0402_00406 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0402_00407 20,52,72,94,107,118,134,138,141,153,180,182,207,242,270,281,417,424,453,481,485,508,550,558,626,635,637,657,697,727,771,792,968,989 +0402_00408 59,86,96,134,146,163,166,236,247,272,285,298,347,383,389,479,487,503,508,550,573,592,607,609,626,654,662,678,714,762,786,797,802,896,968,972,984 +0402_00409 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0402_00410 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0402_00411 4,20,94,112,134,151,153,203,228,255,270,278,281,334,347,432,480,508,515,522,549,550,626,705,706,709,721,727,738,778,843,948,968 +0402_00412 8,20,89,94,134,153,245,260,264,350,374,386,391,460,473,480,484,488,497,508,530,547,553,556,613,626,662,704,727,728,752,778,803,860,948,976,981,1008 +0402_00413 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0402_00414 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0402_00415 2,20,57,128,138,153,207,216,257,270,387,459,508,516,575,727,781,802,862,882,917,929,948,999 +0402_00416 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0402_00417 20,62,89,94,96,107,113,134,145,153,207,231,244,270,285,341,349,366,380,421,425,440,449,481,487,508,512,516,520,522,530,550,588,602,626,656,673,702,727,739,807,887,901,940,968 +0402_00418 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0402_00419 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0402_00420 20,39,47,49,94,107,153,167,207,508,516,527,602,623,626,655,673,727,739,762,797,802,842,948,960,987 +0402_00421 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0402_00422 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0402_00423 8,20,89,94,119,134,170,220,260,263,296,343,347,363,425,435,461,473,508,522,542,550,562,626,628,635,677,686,713,719,724,727,790,812,872,902,927,936,948,968,974,995,1006 +0402_00424 20,62,96,134,145,153,270,347,349,421,487,508,544,550,588,629,648,695,725,727,762,864,886,915,948,964,968,989 +0402_00425 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0402_00426 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0402_00427 25,73,89,96,134,153,170,181,220,311,326,327,330,346,347,369,408,420,433,435,448,461,473,487,522,550,562,597,605,626,660,696,705,719,724,787,790,791,905,936,945,956,968,974,986 +0402_00428 6,20,73,94,101,134,241,283,353,456,487,508,550,626,640,699,708,727,781,919,968 +0402_00429 59,65,86,119,134,146,220,236,260,343,347,447,508,522,542,550,609,626,671,686,787,812,887,948,968,972 +0402_00430 29,134,153,255,268,270,312,326,347,420,455,487,515,550,586,588,626,640,676,781,792,858,968 +0402_00431 20,75,94,96,134,153,283,353,354,457,480,487,497,508,519,530,533,550,626,640,675,696,719,727,752,786,919,935,945,968,1010 +0402_00432 96,134,283,353,381,487,550,591,626,640,675,968 +0402_00433 19,20,24,34,46,54,56,57,65,80,86,89,124,134,139,144,153,159,163,167,172,192,204,207,262,269,270,298,300,310,313,319,335,347,349,353,360,363,364,365,366,374,384,390,402,405,422,428,434,436,437,458,459,461,464,467,475,481,486,492,493,508,516,524,525,529,530,532,533,535,548,552,554,555,556,558,566,580,588,595,599,600,603,623,625,626,629,653,663,669,678,690,692,705,719,720,726,727,728,751,755,762,763,766,783,789,791,831,850,870,887,889,900,914,915,917,919,929,936,948,954,959,960,963,968,974,975,977,997 +0402_00434 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0402_00435 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0402_00436 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 +0402_00437 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0402_00438 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0402_00439 4,35,50,63,67,89,94,127,132,134,137,139,153,163,175,199,207,244,311,316,319,326,327,330,369,374,405,422,461,524,576,626,631,638,675,680,686,719,720,772,783,791,797,801,814,877,919,924,936,948,963,968,974,982 +0402_00440 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0402_00441 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0402_00442 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0402_00443 5,20,29,74,109,134,149,260,347,476,487,508,515,520,533,550,586,626,640,662,676,727,762,781,792,813,844,886,948,961,968 +0402_00444 20,49,94,153,207,231,261,480,508,530,626,727,752,802,803,813,948,992 +0402_00445 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0402_00446 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0402_00447 77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0402_00448 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0402_00449 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0402_00450 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0402_00451 20,21,30,87,91,93,94,107,134,139,141,147,148,153,207,226,262,270,281,304,347,353,369,371,381,430,435,476,497,508,515,550,551,598,601,626,634,640,712,717,727,735,737,808,825,842,845,850,855,908,968,976,989 +0402_00452 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0402_00453 20,28,33,83,94,96,107,115,134,153,207,244,248,272,366,372,383,389,479,487,503,508,516,522,550,554,603,626,654,662,684,714,727,739,762,778,786,790,797,802,812,886,893,896,948,968,978,982 +0402_00454 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0402_00455 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0402_00456 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0402_00457 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0402_00458 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0402_00459 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0402_00460 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0402_00461 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0402_00462 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0402_00463 20,64,96,134,141,153,182,200,207,272,341,372,383,389,407,479,481,487,503,508,550,582,596,601,603,635,654,662,714,727,762,778,786,797,812,893,896,916,951,968,989 +0402_00464 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0402_00465 12,17,20,42,49,73,89,101,121,134,141,153,170,178,220,270,281,282,302,311,326,327,330,339,346,347,353,369,387,435,461,473,508,515,530,550,562,563,580,597,620,626,640,660,676,705,719,724,727,728,733,743,786,787,790,791,805,850,905,936,947,951,954,968,970,974,1020 +0402_00466 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0402_00467 2,20,94,134,169,212,220,226,233,353,367,454,456,508,515,550,578,590,626,635,640,727,732,758,897,948,968,998 +0402_00468 29,36,134,278,349,405,437,487,508,515,550,586,592,626,640,676,781,792,801,825,829,850,887,968 +0402_00469 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0402_00470 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0402_00471 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0402_00472 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0402_00473 4,20,21,33,80,94,134,153,165,185,191,204,220,223,227,247,294,332,360,405,421,438,455,457,461,480,487,488,493,506,508,513,518,519,529,530,591,593,594,615,626,638,660,662,681,685,689,727,752,756,786,802,835,846,849,855,880,901,915,936,948,968,976,978,991,993,994 +0402_00474 77,107,134,142,153,199,260,293,330,333,347,356,372,383,421,465,479,481,505,515,522,541,549,550,591,654,662,704,762,778,786,797,812,813,833,896,913,940,948,968 +0402_00475 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0402_00476 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0402_00477 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0402_00478 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0402_00479 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0402_00480 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0402_00481 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0402_00482 96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0402_00483 9,20,69,71,100,101,102,114,134,138,144,153,207,249,258,263,270,317,360,363,368,384,400,404,405,408,430,453,465,508,516,570,581,593,601,615,657,662,670,685,693,706,746,773,791,808,812,847,850,878,881,883,898,915,948,968,983,989,998,1012,1013 +0402_00484 20,62,94,96,134,136,145,153,178,270,274,354,421,480,487,508,530,550,588,626,666,727,752,778,786,819,851,968,976,977 +0402_00485 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0402_00486 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0402_00487 15,20,89,90,94,137,153,252,339,463,480,497,508,530,547,626,664,727,737,752,772,773,778,803,820,951,972,976,998,1008 +0402_00488 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0402_00489 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0402_00490 105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0402_00491 20,62,94,153,283,391,469,480,497,508,530,556,626,727,752,755,778,803,826,948,976,994 +0402_00492 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0402_00493 1,20,134,139,153,231,251,270,281,291,300,347,458,508,522,549,550,620,626,640,676,702,727,733,927,947,948,968,970 +0402_00494 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0402_00495 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0402_00496 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0402_00497 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0402_00498 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0402_00499 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0402_00500 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0402_00501 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0402_00502 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0402_00503 15,20,63,68,71,94,96,126,134,155,276,298,315,322,328,403,420,456,487,508,550,569,577,606,616,626,640,725,727,739,778,928,935,968 +0402_00504 134,138,220,226,304,325,344,353,417,453,474,508,515,542,550,556,626,640,654,657,686,697,745,802,819,937,948,968,989 +0402_00505 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0402_00506 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0402_00507 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0402_00508 71,96,134,153,272,278,325,372,383,389,456,479,487,503,508,550,603,654,662,714,762,774,777,778,786,791,797,812,850,868,869,893,896,968,997 +0402_00509 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0402_00510 2,19,96,134,153,272,323,372,383,389,420,479,487,503,541,550,556,603,654,662,714,729,742,762,770,778,786,797,812,835,893,896,909,942,968 +0402_00511 14,20,62,69,94,107,110,118,128,141,145,153,159,207,231,242,250,257,270,274,283,284,285,327,342,354,363,366,380,403,440,474,480,481,508,516,530,556,626,627,635,673,680,690,692,727,739,755,757,778,826,871,878,915,917,923,927,948,984,994 +0402_00512 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0402_00513 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0402_00514 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0402_00515 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0402_00516 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0402_00517 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0402_00518 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0402_00519 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0402_00520 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0402_00521 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0402_00522 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0402_00523 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0402_00524 15,20,26,44,58,60,77,89,94,136,153,161,173,175,207,222,229,231,243,244,261,276,285,318,330,332,343,382,401,453,480,492,499,508,530,605,609,618,626,655,670,677,686,690,726,727,746,752,758,762,769,772,795,802,806,818,836,883,922,933,936,941,948,957,964,971,983,1009 +0402_00525 20,64,96,134,135,141,153,182,196,207,272,310,347,372,383,389,407,408,479,481,487,491,503,505,508,544,550,603,635,654,662,663,714,727,762,763,778,786,797,812,863,893,896,907,948,951,968,989,994 +0402_00526 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0402_00527 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0402_00528 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0402_00529 25,96,134,136,139,145,146,172,188,202,236,245,257,305,381,421,461,467,485,487,508,516,530,545,550,560,577,578,595,609,626,736,749,781,802,824,873,907,908,924,935,968,971,991,1015 +0402_00530 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0402_00531 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0402_00532 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0402_00533 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0402_00534 20,62,94,153,165,187,207,231,254,261,416,480,508,526,530,589,626,727,752,778,809,826,866,876,948,972,977,994,1017 +0402_00535 5,15,20,40,82,89,92,108,122,134,140,151,153,154,171,201,207,240,252,254,263,268,347,365,433,474,481,492,505,508,516,540,544,587,597,663,686,687,688,727,740,741,762,767,776,802,878,891,896,914,948,960,968,994 +0402_00536 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 diff --git a/processed_data/0402/0402_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0402/0402_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..854cc4fb4 --- /dev/null +++ b/processed_data/0402/0402_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,537 @@ +id bits.on +0402_00001 24,57,84,89,114,167,347,467,508,588,599,626,692,823,954 +0402_00002 19,24,56,57,65,89,109,134,139,153,155,167,172,173,212,266,287,319,347,369,387,401,405,415,422,436,442,461,467,481,486,499,508,524,525,555,558,566,580,588,595,599,625,626,629,653,660,678,690,692,719,728,743,749,755,761,763,783,887,925,936,954,960,968,974,975,980,990 +0402_00003 57,79,89,134,139,150,153,159,173,177,197,212,245,257,269,274,300,347,351,364,387,401,405,442,452,460,461,465,475,481,492,508,523,524,555,560,566,588,596,600,615,626,631,657,672,681,692,716,719,763,765,791,807,833,860,874,887,900,928,936,952,954,968,974,980,997 +0402_00004 57,79,89,134,139,150,153,159,167,169,173,177,197,212,227,236,245,257,269,277,285,300,347,351,361,364,387,401,434,442,452,461,475,492,506,508,524,555,566,569,588,600,626,630,657,662,672,692,719,763,766,791,806,860,874,900,936,952,954,968,974,980,997 +0402_00005 11,20,37,55,57,65,87,94,107,153,207,266,274,292,347,390,508,533,538,588,626,646,692,701,727,757,758,763,941,954,978,1015 +0402_00006 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0402_00007 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0402_00008 20,57,58,94,115,172,347,454,508,539,588,626,692,712,719,727,779,872,954,995 +0402_00009 15,57,79,89,127,128,134,139,150,153,167,169,173,236,245,269,277,283,300,314,347,364,413,434,440,442,452,461,475,492,506,508,524,555,566,569,588,600,620,626,657,662,672,687,692,763,764,766,791,806,814,824,860,900,932,936,952,954,964,968,974,980 +0402_00010 20,94,107,134,153,207,212,232,390,458,480,508,511,542,568,602,626,727,813,889,909,936 +0402_00011 57,67,77,79,89,132,134,137,139,145,150,153,159,168,173,177,197,209,212,245,257,269,300,304,315,317,319,347,351,364,387,401,405,422,436,442,461,475,479,486,492,508,524,544,555,566,582,588,600,614,626,631,662,672,692,699,704,719,763,783,787,791,804,836,860,866,874,900,936,954,968,974,980,997 +0402_00012 20,24,37,47,57,60,66,87,89,94,118,134,139,153,159,167,169,173,177,197,204,212,227,236,245,257,269,277,285,300,347,351,361,364,387,401,425,434,442,452,461,475,492,506,508,524,527,555,562,565,569,626,630,657,661,662,677,692,719,727,763,766,779,799,806,852,860,865,874,894,900,915,936,952,954,964,968,974,975,980,997 +0402_00013 57,64,67,79,89,120,129,132,134,139,145,150,153,159,163,168,173,177,197,209,212,245,257,269,300,304,309,319,337,347,351,364,387,401,405,422,442,461,475,481,486,492,506,508,524,555,566,582,588,600,615,626,631,662,669,672,692,719,722,763,783,791,792,860,868,874,887,889,900,936,954,968,974,980,997,1004 +0402_00014 20,53,57,94,98,107,114,153,175,196,207,266,292,347,390,508,531,588,626,682,692,727,757,763,954 +0402_00015 20,57,94,107,108,146,153,207,326,347,435,508,571,576,588,626,692,727,747,845,899,954,961 +0402_00016 57,79,89,121,134,139,153,159,173,177,197,212,245,257,269,274,300,347,351,364,387,401,405,442,452,460,461,465,481,492,508,523,524,525,555,560,566,588,596,615,626,631,657,681,692,716,719,763,765,807,833,860,874,887,928,936,952,954,968,974,980,997 +0402_00017 20,59,94,107,134,148,153,207,445,480,508,511,529,552,626,727,832 +0402_00018 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57,67,77,79,89,121,132,134,137,139,145,153,159,168,173,177,197,209,212,245,257,269,300,304,315,317,319,347,351,364,387,401,405,422,436,442,461,479,486,492,508,524,525,544,555,566,582,588,614,626,631,662,692,699,704,719,763,783,787,804,836,860,866,874,936,954,968,974,980,997 +0402_00026 20,57,77,94,107,141,153,207,266,292,347,396,438,481,508,588,626,692,715,727,757,763,776,789,861,954 +0402_00027 20,58,94,115,126,153,166,257,311,366,480,508,618,626,719,727,730 +0402_00028 20,37,57,75,114,153,207,236,266,274,278,291,292,325,326,347,383,390,507,508,538,588,620,626,665,692,701,727,757,758,763,898,954 +0402_00029 11,20,65,80,94,107,207,390,412,489,508,538,620,626,646,727,978,988,992,1015 +0402_00030 22,57,76,89,109,153,173,177,187,266,270,347,351,442,461,508,555,588,626,647,692,719,743,763,935,936,954,974,982,986 +0402_00031 20,94,107,134,153,207,390,480,493,508,511,626,676,727,784,795,976 +0402_00032 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57,72,76,89,109,153,166,173,177,187,266,347,351,442,461,481,508,553,555,588,626,634,647,687,692,719,743,763,830,839,917,936,954,963,967,974,982 +0402_00058 20,94,107,153,207,254,430,508,605,626,686,727,871,948,994 +0402_00059 20,94,211,406,469,486,508,626,627,692,719,727,755,762,850,904,948 +0402_00060 20,94,134,153,207,339,369,480,508,511,522,626,727,773,802,898,948 +0402_00061 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0402_00062 57,76,89,109,134,139,153,159,167,169,173,177,197,212,227,236,245,266,277,285,347,351,361,387,401,434,442,452,461,506,508,524,555,569,588,626,630,657,662,692,719,743,763,766,806,874,936,952,954,968,974,980,997 +0402_00063 19,56,57,65,79,89,134,139,150,153,155,159,172,173,177,197,212,257,269,300,319,347,351,364,387,401,405,422,436,442,461,475,481,486,492,508,524,525,555,558,566,580,588,600,625,626,629,653,672,678,690,692,719,728,755,763,783,791,860,874,887,900,935,936,954,960,968,974,975,980,990,997 +0402_00064 15,50,57,64,67,70,79,89,120,127,128,129,131,132,134,139,150,153,163,168,173,245,269,283,300,309,314,319,337,347,364,405,413,422,442,461,475,481,486,492,506,508,524,555,566,582,588,600,615,626,631,662,669,672,687,692,763,783,791,792,814,824,853,860,868,887,889,900,932,936,954,964,968,974,980 +0402_00065 24,47,57,60,66,85,87,89,134,139,153,159,167,169,173,177,197,212,227,229,236,245,257,269,277,282,285,300,311,326,347,351,361,364,387,401,410,434,442,452,461,475,492,506,508,524,527,555,562,565,569,626,630,657,662,692,719,743,763,766,806,826,860,874,894,900,915,936,952,954,964,968,974,980,997 +0402_00066 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0402_00067 20,92,94,107,118,141,146,153,207,236,481,508,545,609,626,635,723,727,758,964,1006 +0402_00068 20,94,126,153,257,373,419,433,469,480,486,504,508,523,557,626,727,762,850,904,948,1022 +0402_00069 20,94,508,626,705,719,727,762,948,982 +0402_00070 14,20,94,107,141,153,207,451,468,481,508,626,700,727,747,776,789,842,988 +0402_00071 15,35,57,89,109,127,128,134,139,153,173,245,266,283,314,346,347,405,413,442,452,460,461,465,481,508,523,524,555,560,588,596,615,626,657,687,692,716,743,763,765,814,816,824,833,887,894,924,928,932,936,952,954,964,968,974,980 +0402_00072 20,94,107,141,207,364,481,508,626,648,727,744 +0402_00073 20,94,107,126,134,151,153,207,209,259,295,316,341,382,480,481,508,511,626,727,756,847,917,995,999 +0402_00074 20,30,91,94,134,153,185,198,207,231,261,339,436,480,508,511,530,626,680,727,752,773,802,948 +0402_00075 57,77,153,163,266,347,430,442,481,508,588,626,636,692,763,913,954,981 +0402_00076 20,34,57,76,89,109,134,139,153,159,173,177,197,212,266,319,321,341,342,347,351,384,387,401,405,422,432,442,461,481,508,524,555,578,588,626,652,678,692,719,727,740,743,746,763,783,842,874,887,936,954,968,974,975,980,987,997 +0402_00077 57,77,153,207,240,389,481,508,626,692,757,913,936,954 +0402_00078 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20,24,29,57,85,89,134,139,153,159,167,169,173,177,193,197,212,227,229,236,243,245,257,263,269,277,282,284,285,300,311,326,347,351,361,364,387,401,434,435,442,452,461,466,474,475,492,506,508,516,524,555,565,569,611,615,622,626,630,657,662,692,719,727,743,762,763,766,790,806,860,874,900,904,905,908,915,936,948,952,954,960,968,974,980,997 +0402_00090 15,20,39,89,94,134,240,328,350,424,456,470,479,508,520,540,545,626,719,727,767,856,920,931,936,938,968,973,1009 +0402_00091 11,15,20,65,94,107,153,207,323,326,390,508,533,538,562,576,626,646,701,727,839,941,978,1015 +0402_00092 24,47,57,64,66,67,85,87,89,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,231,245,257,269,300,304,309,311,319,326,337,347,351,364,383,386,387,401,402,405,410,422,442,461,475,481,486,492,506,508,524,527,555,562,565,582,587,615,626,631,662,669,689,692,719,722,743,763,783,792,860,868,874,887,889,900,915,936,954,964,968,974,980,997,1004 +0402_00093 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57,64,67,76,89,109,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,245,266,304,309,319,337,347,351,387,401,405,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,692,719,722,743,763,783,792,860,868,874,887,889,936,954,968,974,980,997,1004 +0402_00101 20,94,128,153,163,278,480,508,516,528,626,727,767,804,811,850,927,970 +0402_00102 20,71,94,107,153,207,326,390,508,575,576,626,727,784,976 +0402_00103 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 +0402_00104 35,43,70,72,86,89,134,139,146,153,166,177,215,217,236,297,347,351,442,461,481,508,555,573,608,609,626,662,687,719,777,872,917,936,963,974,994 +0402_00105 15,20,26,39,89,94,187,193,213,502,508,548,570,599,626,675,719,727,819,855,936,974,976 +0402_00106 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0402_00107 20,25,68,71,94,134,146,170,172,181,226,236,280,353,438,456,496,508,515,532,539,550,561,609,613,626,640,713,726,727,928,968 +0402_00108 19,56,57,65,79,89,121,134,139,153,155,159,172,173,177,197,212,257,269,300,319,347,351,364,387,401,405,422,436,442,461,481,486,492,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,755,763,783,860,874,887,935,936,954,960,968,974,975,980,990,997 +0402_00109 2,20,59,80,86,94,144,153,207,298,305,373,379,480,508,626,727,767,802,896,948,1009 +0402_00110 15,50,57,64,67,70,79,89,120,121,127,128,129,131,132,134,139,153,163,168,173,245,269,283,300,309,314,319,337,347,364,405,413,422,442,461,475,481,486,492,506,508,524,525,555,566,582,588,615,626,631,662,669,687,692,763,783,791,792,814,824,853,860,868,887,889,932,936,954,964,968,974,980 +0402_00111 20,57,84,89,134,138,139,153,159,173,177,197,210,212,245,257,267,269,274,300,347,351,364,387,401,402,405,430,442,445,452,460,461,465,481,492,508,523,524,540,555,560,596,600,615,626,631,657,681,692,700,716,718,719,763,765,807,833,846,860,874,877,887,911,919,928,932,936,948,952,954,965,968,974,980,994,997 +0402_00112 15,19,56,57,65,79,89,127,128,134,139,150,153,172,173,269,283,300,314,319,347,364,405,413,422,436,442,461,475,480,481,486,492,508,524,525,555,558,566,580,588,600,625,626,629,672,678,687,690,692,717,728,755,763,781,783,791,794,814,824,860,887,900,932,936,954,960,964,968,974,975,980,1021 +0402_00113 15,20,39,89,94,134,164,176,240,242,245,303,338,378,401,456,508,513,540,626,656,727,799,920,936,953,968,1009 +0402_00114 20,94,99,153,174,270,341,360,480,481,504,508,516,530,539,541,554,626,727,752,857,986 +0402_00115 20,94,107,141,153,165,207,217,231,481,508,515,545,626,727,771,776,778,789,982 +0402_00116 20,33,63,77,94,95,128,153,270,366,439,480,481,501,508,516,626,649,727,871,927,1019 +0402_00117 20,94,107,207,390,508,626,727,802,864,948,1010 +0402_00118 8,15,20,26,89,94,153,178,207,216,243,263,323,326,390,393,413,429,457,461,474,492,508,516,570,576,594,626,691,701,727,750,758,760,762,770,819,829,833,837,848,855,936,948,960,981,1000,1008 +0402_00119 20,94,107,141,153,186,207,387,481,508,533,626,727,776,789,1000,1006 +0402_00120 20,21,82,94,107,141,153,203,207,217,231,261,347,430,475,480,481,485,508,530,544,545,626,640,727,752,776,789,797,850,950,1019,1022 +0402_00121 20,94,107,153,196,207,231,326,348,390,508,531,626,629,666,727,781,1022 +0402_00122 20,94,107,124,207,390,508,588,626,727,802,948 +0402_00123 15,20,94,107,141,153,176,207,302,323,326,346,390,481,508,533,538,562,576,616,626,701,727,734,815,926 +0402_00124 20,94,107,116,141,153,207,340,341,353,440,481,508,511,626,727,776,779,789 +0402_00125 20,34,45,94,107,141,146,153,168,197,207,217,231,236,255,481,508,522,626,675,727,743,776,789,875,889,948,1009 +0402_00126 45,77,92,139,146,153,236,413,481,508,609,626,913 +0402_00127 89,562,626,719,936,962 +0402_00128 20,94,107,153,167,207,312,326,508,516,576,590,602,626,673,727,739,762,797,931,948,960 +0402_00129 20,56,94,107,153,207,263,279,293,341,353,440,481,508,511,516,626,647,655,727,737,739,762,797,948,960,981 +0402_00130 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 +0402_00131 20,77,94,153,281,480,481,508,530,613,626,727,752,913 +0402_00132 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 +0402_00133 20,94,105,107,113,141,153,207,210,217,231,246,341,440,481,508,530,583,626,727,776,789,940 +0402_00134 10,15,20,39,89,94,134,199,201,217,245,264,331,411,462,506,508,540,553,560,617,626,662,677,707,712,727,981,1022 +0402_00135 20,74,94,107,141,146,207,228,338,365,390,481,508,626,727,802,948 +0402_00136 20,21,77,94,104,107,141,153,207,481,508,626,727,776,789,849 +0402_00137 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 +0402_00138 20,94,107,141,207,383,481,508,626,634,727,802,948 +0402_00139 20,94,107,141,207,481,508,551,626,727,802,948,964 +0402_00140 15,20,32,33,89,94,194,216,438,508,560,626,645,662,677,727,742,776,818,936,964 +0402_00141 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 +0402_00142 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 +0402_00143 15,20,26,94,131,222,481,508,570,608,626,727,985 +0402_00144 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +0402_00145 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0402_00146 57,84,138,142,153,207,267,292,320,326,347,390,429,430,474,508,540,552,576,600,626,686,700,718,734,763,779,833,863,877,911,919,921,932,948,954,955,994 +0402_00147 22,85,89,153,187,229,268,300,311,326,442,461,562,626,647,651,658,719,743,786,864,936,974,986 +0402_00148 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 +0402_00149 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0402_00150 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +0402_00151 15,20,32,69,89,94,199,411,437,438,508,587,626,662,676,677,727,776,818,936,964 +0402_00152 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0402_00153 57,84,138,142,153,207,267,292,311,320,326,347,390,429,430,474,508,513,540,576,600,626,700,718,734,763,779,833,877,911,919,921,926,932,948,954,955,994 +0402_00154 20,77,94,107,141,153,207,231,301,343,436,481,508,509,605,626,643,702,727,778,836,877,913 +0402_00155 4,22,89,127,138,153,160,197,311,326,382,430,461,562,596,612,615,626,647,719,850,925,936,974 +0402_00156 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0402_00157 15,20,80,89,94,134,199,201,245,264,411,429,508,554,626,662,677,727,772,842,954,1022 +0402_00158 15,153,207,300,323,326,390,538,576,626,638,657,674,701,775,880,918,943,944 +0402_00159 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0402_00160 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0402_00161 20,51,94,107,141,153,174,207,217,231,270,294,341,353,360,481,504,508,516,545,552,626,643,727,771,776,778,789,986 +0402_00162 85,89,147,153,261,284,311,326,351,442,461,539,562,582,617,626,689,690,719,743,851,936,974,1009 +0402_00163 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0402_00164 20,59,94,107,153,207,256,326,508,576,616,626,727,802,865,948 +0402_00165 15,30,39,89,208,325,393,461,577,602,626,647,685,711,719,765,782,791,809,936,986 +0402_00166 20,39,47,55,89,134,151,245,264,276,341,481,492,506,508,516,600,662,677,727,761,767,782,836,874,886,981,986 +0402_00167 15,153,207,323,326,390,533,538,562,576,626,701,702 +0402_00168 20,94,153,156,259,261,268,313,341,480,481,508,626,651,659,727,756,862 +0402_00169 72,85,89,153,166,187,311,326,351,442,461,481,553,626,647,687,719,743,746,757,830,839,893,917,936,967,974 +0402_00170 15,26,31,39,89,126,139,153,212,263,280,301,326,390,414,461,475,549,557,626,711,719,797,806,809,855,877,936 +0402_00171 20,138,146,153,320,387,423,508,530,575,606,700,718,727,778,833,859,919,924,932,944,948 +0402_00172 69,153,207,326,390,495,538,576,626,697,704,874,892 +0402_00173 20,94,134,153,207,213,277,390,480,508,511,626,661,727,802,948 +0402_00174 20,94,126,144,172,214,305,481,508,626,727,948,977 +0402_00175 15,153,207,300,323,326,390,452,495,538,576,626,701,775,781,918,1018 +0402_00176 20,94,107,118,141,153,207,254,481,508,527,626,635,727,948,994,1006 +0402_00177 20,77,94,107,153,207,481,508,541,590,626,677,727,802,849,929,948 +0402_00178 22,85,89,153,187,197,212,218,268,311,326,351,442,461,562,612,626,647,689,719,743,757,936,974 +0402_00179 15,20,33,35,89,94,134,201,245,248,264,422,508,554,626,645,662,677,727,737,772,1022 +0402_00180 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 +0402_00181 153,207,300,326,390,538,576,577,626,775,878,918,941 +0402_00182 5,15,23,30,89,158,314,461,577,579,626,647,711,719,782,836,887,918,936,959,993 +0402_00183 20,31,86,94,134,137,223,245,351,456,489,506,508,513,626,662,672,727,731,766,866,928,930,968,971,981,997 +0402_00184 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0402_00185 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +0402_00186 15,57,89,109,127,128,134,139,153,167,169,173,236,245,266,277,283,314,347,413,434,440,442,452,461,506,508,524,555,569,588,620,626,657,662,687,692,743,763,764,766,806,814,816,824,932,936,952,954,964,968,974,980 +0402_00187 20,153,207,278,291,300,325,326,390,442,448,507,508,538,576,620,626,665,727,774,775,842,898,918 +0402_00188 20,29,88,94,117,134,153,195,245,334,387,395,405,479,480,508,522,626,662,727,787,938,968 +0402_00189 20,80,94,107,134,141,207,270,342,350,458,459,481,484,508,550,562,620,626,627,640,647,676,727,733,947,968 +0402_00190 7,27,70,85,89,153,200,202,216,229,260,292,297,300,311,323,326,347,442,454,461,467,493,554,557,562,590,621,626,703,711,719,743,835,889,935,936,956,974,986 +0402_00191 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0402_00192 22,85,89,153,180,187,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0402_00193 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 +0402_00194 48,52,89,118,134,153,207,210,242,245,257,259,326,346,390,461,508,534,576,582,590,606,626,667,676,719,906,936,978 +0402_00195 6,20,94,107,134,207,251,270,300,350,390,508,523,550,620,626,640,647,676,727,733,758,866,947,968,981 +0402_00196 15,18,30,39,89,142,325,374,393,461,577,602,626,647,685,711,719,782,809,936,986 +0402_00197 153,204,207,323,326,367,390,576,626,701 +0402_00198 49,153,207,300,323,326,390,576,626,701,758,775,808 +0402_00199 20,94,107,141,153,207,254,343,437,481,508,524,626,702,727,948,994 +0402_00200 4,15,26,31,37,39,89,139,151,153,212,263,280,326,390,414,440,461,475,549,557,626,711,719,797,809,855,877,936 +0402_00201 20,70,85,89,140,153,263,297,311,326,351,442,457,461,474,492,508,510,516,527,548,626,627,643,717,719,727,743,762,790,900,936,948,960,974 +0402_00202 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 +0402_00203 15,20,60,85,87,89,143,153,191,201,207,311,323,326,344,347,351,390,402,410,417,442,455,461,463,500,507,508,523,538,544,562,576,605,626,665,688,689,701,719,727,743,802,863,898,905,936,974,996 +0402_00204 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0402_00205 22,46,54,60,85,87,89,153,177,187,209,229,235,266,279,282,300,311,326,347,351,410,434,442,450,461,471,555,562,626,647,658,719,729,732,743,864,884,936,974,986,994 +0402_00206 17,20,94,134,169,226,298,300,449,456,458,460,508,515,626,640,676,727,897,946,968 +0402_00207 20,68,94,134,153,226,275,298,322,328,353,414,456,508,550,580,626,640,724,727,746,780,908,909,928,968 +0402_00208 20,89,94,107,113,153,167,207,231,341,349,440,449,481,508,512,516,530,536,602,613,626,673,727,739,762,797,940,948,960 +0402_00209 19,20,138,141,153,202,207,225,231,269,387,438,481,508,547,606,688,700,713,718,727,771,776,778,813,833,919,932,948 +0402_00210 15,30,39,89,95,208,393,439,461,577,602,612,626,647,685,711,719,765,782,809,936 +0402_00211 15,153,207,278,323,326,390,508,538,576,594,626,631,650,684,701,707,817,819,850,885 +0402_00212 4,20,57,94,100,107,114,134,201,207,226,251,347,350,353,390,486,487,508,515,523,549,550,619,626,627,640,647,666,705,727,778,814,858,866,948,968 +0402_00213 20,94,107,153,207,254,321,339,390,398,508,626,694,727,948,994 +0402_00214 15,20,77,89,94,153,160,202,364,454,481,508,626,677,727,742,772,819,822,846,862,863,934,993 +0402_00215 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0402_00216 10,11,14,20,26,38,56,64,88,93,94,97,107,134,136,141,152,153,159,202,203,207,231,245,261,274,289,297,306,310,321,357,367,374,393,405,410,426,475,480,481,506,508,511,516,518,530,550,580,582,588,593,606,613,615,625,626,635,655,662,676,727,739,752,789,810,821,860,866,879,887,889,893,896,897,943,968,1005,1017 +0402_00217 7,27,70,85,89,93,153,200,202,216,260,292,297,300,311,326,347,351,442,454,461,467,493,554,557,562,590,602,621,626,689,711,719,743,835,889,935,936,956,974,986 +0402_00218 20,29,94,100,106,107,134,167,207,251,292,390,474,487,508,515,523,527,550,586,623,626,627,640,647,676,727,781,792,866,968 +0402_00219 20,44,134,138,158,191,235,369,387,487,508,550,577,590,638,700,701,708,727,790,810,843,897,898,917,946,948,968 +0402_00220 4,20,53,59,86,94,134,146,151,153,203,236,270,278,281,334,347,371,385,432,480,508,515,522,549,550,609,626,667,705,706,709,721,727,746,763,778,843,948,968,972 +0402_00221 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0402_00222 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 +0402_00223 15,20,32,33,79,89,94,233,237,508,559,566,626,645,662,677,727,772 +0402_00224 7,22,60,64,85,87,89,133,140,153,176,187,198,260,311,326,347,351,402,410,442,461,467,471,498,523,554,562,626,647,651,658,689,702,719,727,743,755,789,835,888,936,962,974,986,994 +0402_00225 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0402_00226 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0402_00227 15,43,89,163,225,291,461,495,506,531,562,593,626,665,666,700,711,719,746,747,782,936,963,974,997 +0402_00228 20,94,107,141,153,174,207,217,225,231,270,276,341,360,409,480,481,504,508,516,545,552,626,643,677,722,727,771,776,778,789,986 +0402_00229 19,20,24,56,57,65,80,86,89,113,134,139,144,153,155,159,167,172,173,186,204,207,212,269,270,275,287,298,300,313,319,347,353,360,364,366,369,387,390,401,405,415,422,423,436,442,461,467,475,481,486,492,499,502,508,516,524,525,530,535,548,554,555,558,566,574,580,588,599,603,607,625,626,629,653,660,664,678,688,690,692,719,727,728,749,751,755,761,763,783,831,860,887,888,891,900,912,914,917,925,929,936,948,954,960,963,968,974,975,977,980,990 +0402_00230 20,29,33,85,89,90,94,107,121,153,168,179,187,207,263,265,267,311,326,347,432,442,461,467,474,492,508,516,522,622,626,632,634,647,654,687,719,727,743,762,802,822,936,948,960,974 +0402_00231 134,153,245,326,368,372,420,454,479,506,508,582,592,626,660,662,727,771,786,812,837,881,896,937,956,968,981 +0402_00232 15,20,22,32,89,94,329,438,474,508,590,613,626,662,677,727,776,818,936,944,964 +0402_00233 7,27,60,64,70,85,87,89,140,153,202,260,292,297,311,326,347,351,402,410,442,461,467,471,523,554,562,626,689,719,727,743,789,835,888,889,935,936,962,974,986 +0402_00234 20,94,107,153,206,207,254,326,445,508,576,626,671,727,744,832,948,994 +0402_00235 13,20,94,144,153,216,240,305,357,373,413,508,626,727,948,977,994 +0402_00236 15,26,39,61,72,89,118,139,153,212,263,280,326,414,448,461,475,492,620,626,659,711,719,797,809,855,898,919,936 +0402_00237 20,85,89,95,99,134,153,155,159,212,218,232,275,288,310,311,319,326,341,351,368,385,387,405,422,432,442,461,470,481,508,524,626,710,719,727,743,766,773,894,901,936,968,974 +0402_00238 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 +0402_00239 26,85,89,139,153,181,200,216,229,232,260,269,300,311,323,326,343,347,399,442,452,461,467,469,493,557,562,590,621,625,626,646,657,698,703,711,719,743,829,846,855,878,936,974 +0402_00240 20,46,53,94,144,153,341,355,480,481,508,541,596,603,626,670,675,678,727,783,948,978 +0402_00241 15,63,109,134,157,201,245,439,506,508,524,526,662,675,686,727,741,849,940,948 +0402_00242 10,45,89,134,153,188,207,210,245,267,287,326,390,426,460,461,464,508,534,573,576,582,626,656,676,827,873,1022 +0402_00243 4,20,57,94,107,124,134,169,201,207,226,347,350,353,390,444,478,479,508,515,549,550,554,619,626,640,647,666,705,727,743,778,814,858,948,968,978 +0402_00244 15,85,89,153,180,217,311,326,351,413,442,461,462,542,545,548,622,626,631,711,719,733,782,858,936 +0402_00245 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0402_00246 45,92,146,153,236,326,508,609,626,666,710,713 +0402_00247 20,94,134,169,239,245,385,405,456,508,550,585,626,727,739,798,897,914,931,947,968 +0402_00248 20,94,177,234,315,469,508,516,551,626,727,829,850,948 +0402_00249 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0402_00250 20,21,94,153,237,417,466,478,480,508,530,626,727,752,762,948 +0402_00251 20,94,134,153,158,271,326,401,420,456,461,508,529,552,555,568,584,626,629,712,727,748,833,968,1002 +0402_00252 20,77,94,153,254,326,480,508,592,596,603,626,642,666,670,690,727,768,777,844,987 +0402_00253 20,94,107,126,141,153,207,292,347,481,498,508,544,626,686,727,762,776,789,861,886,948,977,989 +0402_00254 20,30,85,89,147,153,208,212,229,238,263,282,284,311,326,442,461,474,490,492,508,516,626,719,725,727,743,762,764,790,936,948,960,967,974 +0402_00255 52,89,134,206,207,242,245,278,346,390,461,508,534,543,582,606,626,650,667,683,684,719,828,850,906,936,953,978,979 +0402_00256 20,29,94,134,169,298,454,456,487,508,515,550,586,596,619,626,640,676,727,781,792,897,898,968,1011 +0402_00257 20,94,119,134,272,423,452,456,461,467,508,626,727,731,735,799,950,968 +0402_00258 26,43,46,54,60,85,87,89,94,139,153,209,263,311,326,347,351,402,410,412,414,442,450,461,471,493,523,549,555,557,562,574,626,672,689,719,729,732,743,755,829,855,936,937,974,979,994 +0402_00259 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0402_00260 20,85,89,116,153,187,231,260,263,311,326,351,442,461,474,492,508,516,626,643,647,687,719,727,743,757,762,790,902,936,946,948,960,974 +0402_00261 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 +0402_00262 15,19,20,34,56,57,65,89,104,134,139,153,155,159,172,173,177,194,197,212,240,257,269,300,319,340,341,347,351,364,382,387,401,405,422,432,436,442,461,465,475,479,481,486,492,508,509,524,525,555,558,566,580,603,625,626,629,633,653,655,657,678,680,687,690,692,707,719,723,727,728,733,755,757,763,764,783,793,838,842,847,860,874,887,900,935,936,954,960,968,974,975,980,990,997 +0402_00263 85,89,134,153,245,311,326,332,351,406,432,442,461,508,528,534,600,626,672,690,704,707,719,795,805,837,906,936 +0402_00264 15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 +0402_00265 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 +0402_00266 20,77,94,107,153,167,180,207,225,231,424,436,458,481,504,508,512,516,602,613,626,637,673,727,739,762,778,797,897,913,948,960 +0402_00267 19,24,47,56,57,60,65,66,85,87,89,134,139,153,155,159,172,173,177,197,212,257,269,300,311,319,326,347,351,364,387,401,402,405,410,422,436,442,461,475,481,486,492,508,523,524,525,527,555,558,562,565,566,580,625,626,629,653,678,689,690,692,719,728,743,755,763,783,826,860,874,887,894,900,915,935,936,954,960,964,968,974,975,980,990,997 +0402_00268 20,94,107,207,247,370,508,516,626,657,686,727,739,762,797,802,948,960,973 +0402_00269 15,24,47,57,60,66,85,87,89,127,128,134,139,153,173,185,220,245,269,283,300,301,303,311,314,326,340,347,351,364,379,402,410,413,442,461,475,477,492,506,508,523,524,527,533,555,562,565,569,575,582,626,638,649,662,671,675,687,689,692,719,743,763,806,814,824,826,860,874,894,900,915,918,932,936,948,954,964,968,974,980 +0402_00270 20,94,153,270,272,360,409,480,508,516,517,530,626,632,633,643,727,730,752,762,778,948,960,976,990 +0402_00271 15,50,57,64,67,70,89,109,120,127,128,129,131,132,134,139,153,163,168,173,245,266,283,309,314,319,337,347,405,413,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,687,692,743,763,783,791,792,814,816,824,853,860,868,887,889,932,936,954,964,968,974,980 +0402_00272 19,56,57,65,89,134,139,147,153,155,159,172,173,177,197,212,257,269,284,300,319,347,351,364,387,401,405,419,422,436,442,461,475,481,486,492,508,524,525,555,558,566,580,603,617,625,626,629,653,678,690,692,719,728,740,755,763,783,817,851,860,874,887,900,935,936,954,960,968,974,975,980,990,997 +0402_00273 20,68,94,114,134,211,240,283,304,353,425,456,481,487,508,510,534,545,550,626,640,726,727,781,887,928,937,968 +0402_00274 70,85,89,115,134,139,146,153,201,245,252,269,311,326,338,379,403,405,422,442,452,459,460,461,465,480,481,508,510,523,524,525,539,560,596,615,626,657,716,765,773,816,833,852,868,887,919,920,928,952,968,974,1009,1012 +0402_00275 1,26,39,46,54,60,63,85,87,89,94,139,153,161,162,174,177,183,209,229,278,279,282,287,300,311,313,326,347,351,385,410,434,442,450,461,464,471,486,496,499,523,551,555,557,562,626,654,719,729,732,743,753,829,852,868,936,974,994,1015 +0402_00276 20,56,94,105,107,128,129,131,141,153,207,217,231,254,257,270,365,366,375,399,480,481,508,516,530,583,612,626,674,692,727,739,757,776,789,812,829,871,917,927,947,948,994 +0402_00277 20,35,94,107,110,118,141,153,207,231,250,254,363,447,481,484,508,552,626,635,727,855,915,949 +0402_00278 21,22,59,152,153,259,326,360,516,626,666,932 +0402_00279 20,94,128,141,153,186,207,257,270,371,387,478,480,481,508,516,533,626,692,727,776,812,871,872,917,927,941,1006 +0402_00280 1,26,39,60,85,87,89,94,139,153,162,174,183,270,287,311,313,326,347,351,385,402,410,442,461,464,486,496,499,523,551,557,562,626,689,719,743,753,829,868,936,974,1015 +0402_00281 19,20,94,107,134,141,153,207,213,247,319,326,387,395,405,481,486,508,524,576,626,686,705,727,741,776,789,925,947,948,968,986,989 +0402_00282 98,134,188,206,223,240,245,249,317,405,422,479,506,508,517,532,580,582,654,662,727,778,787,884,950,968,981,984,1012 +0402_00283 34,85,89,114,153,200,229,254,300,311,323,326,347,361,442,461,493,549,562,626,673,703,719,743,916,936,948,974 +0402_00284 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 +0402_00285 47,134,195,203,245,270,405,422,481,506,508,552,578,587,604,662,668,686,789,887,899,914,968 +0402_00286 20,62,94,107,131,141,153,207,217,231,476,481,508,613,626,727,776,789,948,994 +0402_00287 26,44,66,82,85,89,94,129,139,153,158,162,177,182,183,220,229,243,279,300,311,313,326,328,343,347,351,385,392,435,442,443,451,461,464,471,486,496,499,547,555,557,562,587,626,642,666,719,743,753,829,861,868,908,936,974,994,1015 +0402_00288 19,20,91,93,94,107,134,141,153,207,226,262,270,281,353,369,381,476,481,482,508,515,528,550,601,604,626,640,727,776,789,808,968,977,989 +0402_00289 20,71,94,134,153,203,226,262,270,281,334,353,369,381,432,476,480,508,515,522,550,571,601,626,640,727,960,968 +0402_00290 19,20,91,94,107,134,138,141,153,207,226,270,281,304,353,412,417,453,474,481,482,508,515,528,550,626,640,657,697,710,727,766,776,789,808,819,937,968,971,977,989 +0402_00291 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 +0402_00292 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0402_00293 15,20,32,89,94,199,233,237,262,276,404,411,427,438,473,508,626,662,677,727,772,876,889,924 +0402_00294 20,56,94,107,153,186,207,387,403,508,516,626,647,655,706,727,739,762,797,863,948,960,1006 +0402_00295 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0402_00296 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 +0402_00297 20,75,94,106,144,153,298,373,480,508,545,626,727,767,948,977 +0402_00298 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0402_00299 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 +0402_00300 20,81,94,116,134,169,170,272,385,393,405,456,487,508,550,585,619,626,725,727,897,898,922,968,1000 +0402_00301 20,44,57,67,71,72,75,77,89,123,132,134,137,139,145,153,159,168,173,177,197,209,212,235,245,257,269,276,297,300,304,315,317,319,341,347,351,359,364,387,401,405,406,422,432,436,442,443,461,475,479,481,486,487,492,508,524,528,544,550,555,582,603,612,614,626,627,631,662,669,692,699,704,719,721,727,745,763,783,787,795,804,810,836,843,860,866,871,874,881,897,898,899,900,918,936,954,968,974,980,997,1005 +0402_00302 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0402_00303 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 +0402_00304 20,77,118,153,270,272,360,364,424,436,480,481,508,516,630,632,633,643,727,762,778,913,948,960 +0402_00305 20,94,113,134,153,231,270,281,353,481,492,508,512,522,549,550,591,620,626,640,676,702,719,727,733,947,968,970 +0402_00306 13,20,94,144,153,266,305,318,373,434,508,568,626,727,948,994 +0402_00307 15,19,56,57,65,89,109,127,128,134,139,153,172,173,266,283,314,319,347,405,413,422,436,442,461,480,481,486,508,524,525,555,558,566,580,588,625,626,629,678,687,690,692,717,728,743,755,763,781,783,794,814,816,824,887,932,936,954,960,964,968,974,975,980,1021 +0402_00308 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0402_00309 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0402_00310 85,89,134,139,153,159,197,212,245,274,311,326,351,387,390,401,405,442,452,460,461,465,481,508,523,524,560,596,615,626,631,657,681,710,716,719,743,765,807,833,887,928,936,952,968,974 +0402_00311 20,27,29,75,94,134,153,226,235,241,334,353,423,469,480,508,515,522,534,550,626,640,665,676,718,719,727,758,777,947,968 +0402_00312 20,32,94,107,153,188,196,207,211,231,320,363,390,508,531,626,635,727,881,915,948,992,1015,1022 +0402_00313 20,35,94,107,134,153,196,207,208,270,281,390,508,531,550,558,613,620,626,640,676,678,727,733,819,947,968,970,976,989 +0402_00314 20,68,94,134,153,211,283,296,322,328,342,353,456,487,508,534,546,550,626,640,727,781,791,849,928,968 +0402_00315 38,48,64,88,103,134,245,274,289,394,405,424,449,481,506,508,511,580,582,585,605,609,615,617,640,662,726,821,860,866,887,889,937,943,968 +0402_00316 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0402_00317 20,22,94,96,107,124,134,145,167,169,207,311,358,390,421,487,508,550,601,626,647,727,968,973,978 +0402_00318 20,94,315,449,508,626,692,719,727,755,762,850,916,930,948 +0402_00319 35,83,134,173,220,245,248,317,374,385,405,421,422,481,506,508,557,622,662,668,686,738,887,948,958,968 +0402_00320 20,29,68,94,134,170,181,226,352,353,456,489,496,508,515,550,626,635,640,657,665,676,727,928,947,968 +0402_00321 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0402_00322 20,81,94,116,128,134,153,170,197,206,256,270,272,359,374,382,385,393,405,425,445,480,487,508,516,550,585,626,680,725,727,871,897,898,922,927,968 +0402_00323 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0402_00324 85,89,134,139,153,159,167,169,197,212,227,236,245,277,285,311,326,351,361,387,390,401,434,442,452,461,506,508,524,569,626,630,657,662,710,719,743,766,806,936,952,968,974 +0402_00325 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0402_00326 25,96,134,146,188,211,236,265,315,481,487,492,505,508,545,550,551,609,626,699,734,873,887,968 +0402_00327 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0402_00328 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105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0402_00491 20,62,94,153,283,391,469,480,497,508,530,556,626,727,752,755,778,803,826,948,976,994 +0402_00492 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0402_00493 1,20,134,139,153,231,251,270,281,291,300,347,458,508,522,549,550,620,626,640,676,702,727,733,927,947,948,968,970 +0402_00494 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0402_00495 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0402_00496 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0402_00497 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0402_00498 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0402_00499 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0402_00500 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0402_00501 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0402_00502 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0402_00503 15,20,63,68,71,94,96,126,134,155,276,298,315,322,328,403,420,456,487,508,550,569,577,606,616,626,640,725,727,739,778,928,935,968 +0402_00504 134,138,220,226,304,325,344,353,417,453,474,508,515,542,550,556,626,640,654,657,686,697,745,802,819,937,948,968,989 +0402_00505 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0402_00506 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0402_00507 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0402_00508 71,96,134,153,272,278,325,372,383,389,456,479,487,503,508,550,603,654,662,714,762,774,777,778,786,791,797,812,850,868,869,893,896,968,997 +0402_00509 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0402_00510 2,19,96,134,153,272,323,372,383,389,420,479,487,503,541,550,556,603,654,662,714,729,742,762,770,778,786,797,812,835,893,896,909,942,968 +0402_00511 20,56,62,69,94,105,107,112,128,129,141,153,207,217,231,242,257,270,274,279,283,334,342,354,363,365,366,474,480,481,494,508,516,530,556,583,626,674,680,692,727,736,739,755,757,776,778,786,789,812,824,826,829,871,915,917,923,927,947,948,994 +0402_00512 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0402_00513 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0402_00514 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0402_00515 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0402_00516 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0402_00517 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0402_00518 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0402_00519 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0402_00520 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0402_00521 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0402_00522 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0402_00523 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0402_00524 5,15,20,26,35,49,60,64,76,85,87,89,94,118,153,163,180,182,207,222,228,231,252,261,271,281,285,290,316,326,351,401,408,413,424,437,459,480,499,508,530,551,552,602,609,626,668,690,710,726,727,738,752,753,758,759,772,782,802,818,850,860,936,948,949,962,964,976,999,1009 +0402_00525 20,64,96,134,141,153,168,189,200,207,269,272,347,372,383,384,389,407,408,442,479,481,487,503,505,508,544,550,603,615,654,662,663,714,727,762,776,778,786,797,812,863,893,896,931,948,968,989,994 +0402_00526 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0402_00527 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0402_00528 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,700,727,733,748,755,778,781,826,827,833,918,919,948,994 +0402_00529 25,96,134,136,139,145,146,172,188,202,236,245,257,305,381,421,461,467,485,487,508,516,530,545,550,560,577,578,595,609,626,736,749,781,802,824,873,907,908,924,935,968,971,991,1015 +0402_00530 15,20,25,26,72,85,89,95,102,134,141,148,153,155,205,211,212,222,233,245,255,305,315,326,351,357,358,394,399,408,413,469,499,508,513,517,527,566,603,610,626,701,704,727,744,755,766,768,772,774,783,801,819,822,836,847,855,898,926,936,948,968,988,1009,1011,1019,1022 +0402_00531 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0402_00532 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0402_00533 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0402_00534 20,62,94,153,165,187,207,231,254,261,416,480,508,526,530,589,626,727,752,778,809,826,866,876,948,972,977,994,1017 +0402_00535 15,20,89,108,134,144,151,153,154,160,171,190,207,230,240,254,263,291,347,365,433,434,445,460,461,474,481,492,505,508,510,516,540,544,663,687,714,727,741,761,762,767,781,802,807,878,896,914,948,958,960,968,994,1012 +0402_00536 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 diff --git a/processed_data/0402/0402_fingerprints_maccs_canonical_success.tsv b/processed_data/0402/0402_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..df2b565a8 --- /dev/null +++ b/processed_data/0402/0402_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,537 @@ +id bits.on +0402_00001 29,43,48,69,72,89,102,106,112,124,126,127,130,131,136,139,140,143,146,148,150,152,157,159,163,164,165 +0402_00002 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00003 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00004 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00005 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00006 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00007 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00008 29,34,43,48,69,72,76,99,102,106,112,123,124,126,130,131,136,139,140,146,148,152,154,157,159,164 +0402_00009 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00010 53,54,72,89,90,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00011 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00012 29,37,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00013 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00014 29,43,48,54,69,72,89,90,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00015 29,43,48,53,69,72,82,89,90,91,102,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00016 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00017 90,91,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00018 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00019 29,43,48,53,69,89,102,104,106,112,123,124,130,131,132,136,139,140,146,148,153,154,155,157,159,164 +0402_00020 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00021 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00022 99,123,131,136,139,140,146,154,157,159,164 +0402_00023 53,89,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00024 53,89,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00025 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00026 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00027 34,50,76,90,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00028 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0402_00029 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00030 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0402_00031 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00032 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00033 53,54,66,72,89,90,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0402_00034 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00035 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00036 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0402_00037 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0402_00038 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0402_00039 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00040 53,72,82,88,90,123,131,132,136,139,146,152,153,154,155,157,159,164 +0402_00041 53,89,123,131,136,139,140,146,154,157,159,160,164 +0402_00042 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00043 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00044 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00045 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00046 53,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00047 72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00048 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00049 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00050 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0402_00051 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00052 54,72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00053 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0402_00054 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00055 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0402_00056 99,123,131,136,139,140,146,154,157,159,164 +0402_00057 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00058 53,89,90,114,123,131,136,139,140,146,154,155,157,159,160,164 +0402_00059 50,76,99,123,131,136,139,140,146,154,157,159,160,164 +0402_00060 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00061 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00062 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00063 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00064 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00065 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00066 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0402_00067 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00068 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00069 72,123,136,139,146,152,154,157,159,160,164 +0402_00070 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00071 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00072 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0402_00073 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0402_00074 90,91,104,115,116,123,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0402_00075 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0402_00076 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00077 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0402_00078 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00079 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00080 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0402_00081 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00082 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00083 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00084 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00085 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0402_00086 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00087 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00088 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00089 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00090 50,53,54,72,76,89,90,91,99,104,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00091 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00092 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00093 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0402_00094 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00095 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0402_00096 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0402_00097 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00098 53,54,57,72,76,82,83,89,91,96,99,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00099 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0402_00100 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00101 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0402_00102 53,54,72,82,89,90,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00103 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00104 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00105 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00106 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00107 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,88,89,102,106,112,113,123,124,127,130,131,136,139,140,143,144,146,148,150,152,154,157,159,162,163,164,165 +0402_00108 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00109 53,54,66,72,74,89,90,104,112,116,123,131,132,136,139,140,146,149,152,154,155,157,159,160,164 +0402_00110 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00111 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00112 29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00113 50,54,72,76,89,90,99,104,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00114 37,43,53,77,82,84,90,91,97,100,104,106,110,111,117,123,131,132,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00115 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0402_00116 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0402_00117 54,72,123,131,139,146,152,154,157,159,160,164 +0402_00118 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00119 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0402_00120 54,84,90,91,95,97,104,109,111,118,123,126,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00121 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,147,152,153,154,155,157,159,164 +0402_00122 54,72,123,131,139,146,152,154,157,159,160,164 +0402_00123 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0402_00124 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0402_00125 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0402_00126 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0402_00127 53,54,72,89,127,131,139,140,143,146,150,152,157,159,163,164,165 +0402_00128 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00129 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0402_00130 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0402_00131 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00132 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00133 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0402_00134 37,43,53,54,77,80,89,90,91,92,95,97,98,104,106,110,111,117,120,121,123,127,131,132,136,137,139,140,142,143,146,151,154,156,157,158,159,161,163,164,165 +0402_00135 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0402_00136 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0402_00137 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00138 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0402_00139 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0402_00140 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00141 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 +0402_00142 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0402_00143 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0402_00144 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0402_00145 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00146 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0402_00147 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00148 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0402_00149 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00150 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00151 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00152 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00153 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0402_00154 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00155 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00156 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00157 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00158 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00159 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00160 54,84,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00161 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00162 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00163 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00164 53,82,89,90,109,115,123,131,139,146,153,154,155,157,159,160,164 +0402_00165 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00166 37,38,43,53,54,77,79,80,83,84,89,92,95,96,97,106,110,117,120,121,127,131,133,136,137,142,143,146,150,151,154,156,158,159,161,164,165 +0402_00167 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00168 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0402_00169 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00170 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00171 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0402_00172 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00173 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0402_00174 54,66,74,84,95,112,123,131,139,149,151,154,156,157,158,159,160,161,164 +0402_00175 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00176 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0402_00177 53,82,84,90,97,100,115,123,131,139,151,153,154,155,157,158,159,160,161,164 +0402_00178 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00179 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00180 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +0402_00181 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00182 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00183 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0402_00184 53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00185 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00186 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00187 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,154,155,157,159,164 +0402_00188 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0402_00189 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00190 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00191 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0402_00192 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00193 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0402_00194 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00195 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00196 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00197 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00198 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00199 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0402_00200 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00201 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00202 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00203 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0402_00204 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0402_00205 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00206 53,89,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00207 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00208 54,84,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00209 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0402_00210 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00211 53,54,72,82,89,90,91,104,109,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00212 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00213 54,72,90,104,114,123,131,132,139,146,152,154,155,157,159,160,164 +0402_00214 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0402_00215 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00216 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00217 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00218 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00219 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0402_00220 39,40,48,55,58,60,61,67,69,72,73,88,93,102,104,106,112,113,123,124,126,127,130,131,132,136,139,140,143,144,146,148,150,152,154,155,157,159,160,162,163,164,165 +0402_00221 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0402_00222 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00223 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0402_00224 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00225 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0402_00226 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0402_00227 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00228 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00229 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00230 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00231 37,43,53,65,77,80,82,89,90,92,97,98,106,109,110,113,117,120,121,127,131,136,137,139,142,143,144,146,150,151,153,154,155,156,157,159,161,162,163,164,165 +0402_00232 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00233 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00234 53,82,89,90,109,114,116,123,131,139,146,153,154,155,157,159,160,164 +0402_00235 54,66,72,90,104,112,114,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00236 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00237 38,52,53,54,57,62,65,72,75,77,79,80,82,83,84,89,90,91,92,94,95,96,97,109,110,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00238 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00239 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00240 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0402_00241 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0402_00242 54,57,72,82,83,89,96,104,109,123,127,131,132,136,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00243 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00244 53,54,57,72,82,89,90,91,98,104,109,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00245 54,82,90,91,92,95,100,104,110,111,117,118,123,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00246 39,40,48,51,53,55,58,60,61,67,69,73,82,88,89,90,102,104,106,109,112,124,130,131,132,136,138,139,140,146,147,148,153,155,157,159,164 +0402_00247 65,98,121,123,137,139,154,157,159,161,162,163,164,165 +0402_00248 99,123,139,154,157,159,160,164 +0402_00249 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00250 90,104,115,116,123,132,136,139,146,147,152,154,155,157,159,160,164 +0402_00251 57,72,82,83,96,109,123,131,132,137,139,140,146,152,153,154,155,157,159,162,164,165 +0402_00252 82,85,86,91,95,100,104,109,111,118,122,123,128,129,131,132,138,139,140,146,147,148,153,154,155,157,158,159,161,164 +0402_00253 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00254 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00255 53,54,57,72,83,89,96,123,127,131,136,137,139,140,143,146,150,152,154,157,159,164,165 +0402_00256 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0402_00257 57,83,89,96,123,137,139,146,154,157,159,162,164,165 +0402_00258 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00259 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0402_00260 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00261 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0402_00262 29,38,45,48,50,53,54,57,62,65,69,72,75,76,77,79,80,83,84,85,89,90,91,92,95,96,97,98,99,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00263 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0402_00264 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00265 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00266 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00267 29,38,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00268 54,92,95,110,117,123,131,136,139,146,149,151,154,156,157,158,159,160,161,164 +0402_00269 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,123,124,126,127,128,129,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00270 82,90,91,92,100,104,108,110,111,116,117,118,123,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00271 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00272 29,38,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00273 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00274 29,37,38,48,57,62,65,69,72,75,77,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00275 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00276 54,79,82,84,90,91,92,95,100,104,110,111,114,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00277 14,54,67,84,88,90,91,95,104,111,118,123,124,128,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00278 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0402_00279 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0402_00280 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00281 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0402_00282 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0402_00283 53,54,57,72,82,89,90,91,93,98,109,123,126,127,131,132,137,139,140,143,146,150,152,153,155,157,159,160,163,164,165 +0402_00284 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0402_00285 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0402_00286 54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0402_00287 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00288 54,72,84,90,91,95,104,111,113,123,127,131,139,140,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00289 54,72,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0402_00290 24,49,54,56,63,70,71,84,89,90,94,95,102,104,111,113,119,122,123,124,127,130,131,133,135,136,139,140,142,143,144,146,148,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00291 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00292 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00293 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0402_00294 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00295 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0402_00296 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 +0402_00297 53,66,74,89,104,112,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00298 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00299 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00300 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0402_00301 29,38,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,125,126,127,130,131,132,133,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00302 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00303 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0402_00304 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0402_00305 72,90,113,123,127,131,132,136,139,140,143,146,152,154,155,157,159,162,163,164,165 +0402_00306 54,66,72,90,104,112,114,116,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00307 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00308 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00309 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00310 37,38,53,54,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00311 90,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0402_00312 54,72,86,88,90,91,93,104,115,116,123,131,132,139,146,147,152,153,154,155,157,159,160,164 +0402_00313 54,72,90,104,113,123,127,131,132,139,140,143,146,152,154,155,157,159,162,163,164,165 +0402_00314 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00315 25,38,43,65,77,79,80,84,92,95,97,98,105,106,110,113,117,120,121,125,127,131,133,135,137,142,143,145,151,154,156,158,161,162,163,164,165 +0402_00316 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0402_00317 54,72,123,131,139,146,152,154,157,159,162,163,164,165 +0402_00318 50,76,99,123,139,149,154,157,159,160,164 +0402_00319 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,144,150,151,154,156,158,160,161,162,163,164,165 +0402_00320 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00321 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0402_00322 54,65,80,82,92,95,97,98,100,104,110,117,121,123,131,132,136,137,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00323 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0402_00324 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00325 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0402_00326 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,84,88,97,102,106,112,124,130,131,133,135,136,139,144,146,148,150,151,156,158,159,161,162,163,164,165 +0402_00327 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0402_00328 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0402_00329 54,57,72,82,83,92,95,96,100,104,110,117,123,131,132,136,137,139,140,146,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00330 65,83,90,91,96,104,105,113,121,123,127,131,132,137,139,143,146,151,152,154,155,156,157,159,161,162,163,164,165 +0402_00331 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00332 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00333 104,123,132,139,154,155,157,159,162,163,164,165 +0402_00334 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00335 53,84,97,123,131,133,135,139,144,150,151,154,156,157,158,159,161,162,163,164,165 +0402_00336 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0402_00337 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00338 65,82,89,91,95,97,98,109,113,121,127,131,137,139,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0402_00339 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0402_00340 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0402_00341 91,104,113,123,127,131,132,139,143,146,152,154,155,157,159,162,163,164,165 +0402_00342 37,38,43,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00343 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0402_00344 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0402_00345 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0402_00346 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00347 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 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37,43,53,77,80,82,89,90,92,97,98,100,106,110,115,117,120,121,127,131,136,137,142,143,150,151,153,154,156,158,159,160,161,163,164,165 +0402_00355 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,144,150,151,154,156,159,160,161,162,163,164,165 +0402_00356 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0402_00357 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00358 113,127,131,139,143,152,157,159,162,163,164,165 +0402_00359 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0402_00360 54,72,90,91,114,115,123,131,139,146,149,152,154,155,157,159,160,164 +0402_00361 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00362 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0402_00363 54,72,74,90,104,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00364 43,54,72,89,92,95,110,117,123,131,136,139,140,146,151,154,156,157,158,159,161,162,163,164,165 +0402_00365 57,76,89,98,99,123,127,136,137,140,143,146,149,150,152,154,157,159,160,163,164,165 +0402_00366 54,72,74,90,104,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00367 54,86,88,90,91,92,93,95,104,108,110,111,115,116,117,123,131,136,139,146,147,149,151,153,154,155,156,157,158,159,160,161,164 +0402_00368 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0402_00369 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123,139,144,150,154,157,159,160,162,163,164,165 +0402_00377 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00378 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 +0402_00379 90,91,104,113,123,127,131,132,139,143,146,147,152,154,155,157,159,162,163,164,165 +0402_00380 72,123,136,139,146,152,154,157,159,162,163,164,165 +0402_00381 99,123,139,154,157,159,160,164 +0402_00382 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00383 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0402_00384 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0402_00385 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00386 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0402_00387 81,88,154,160,164 +0402_00388 53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165 +0402_00389 113,127,139,143,152,154,157,159,162,163,164,165 +0402_00390 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00391 24,49,56,63,70,71,94,102,113,119,122,124,127,130,133,135,139,143,146,148,152,156,157,158,159,161,162,163,164,165 +0402_00392 1,54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00393 82,86,93,100,104,111,113,115,116,127,131,139,143,147,151,152,153,155,157,158,160,161,162,163,164,165 +0402_00394 90,104,113,123,127,131,132,139,143,144,146,150,152,154,155,157,159,162,163,164,165 +0402_00395 72,74,90,115,123,132,136,139,146,149,152,154,155,157,159,160,164 +0402_00396 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00397 53,54,82,89,92,95,97,100,104,110,113,117,123,127,131,132,136,139,140,143,144,146,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00398 1,65,83,90,91,96,104,105,121,123,131,132,137,139,144,150,151,154,155,156,157,159,161,162,163,164,165 +0402_00399 90,104,113,123,127,131,132,139,143,146,147,152,154,155,157,159,162,163,164,165 +0402_00400 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0402_00401 72,93,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00402 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0402_00403 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0402_00404 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0402_00405 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0402_00406 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0402_00407 24,49,54,56,63,70,71,84,90,94,95,102,104,111,119,122,123,124,130,131,133,135,136,139,140,142,146,148,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00408 39,40,48,55,58,60,61,65,67,69,73,83,88,95,96,97,102,105,106,112,113,121,124,126,127,130,131,136,137,139,140,143,146,148,151,152,156,157,159,161,162,163,164,165 +0402_00409 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0402_00410 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00411 72,93,104,113,123,126,127,132,139,140,143,144,146,149,150,152,154,155,157,159,160,162,163,164,165 +0402_00412 37,43,54,77,79,83,90,91,96,104,106,108,110,111,116,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,150,151,154,155,156,157,158,159,160,161,164,165 +0402_00413 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0402_00414 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00415 49,54,79,82,91,92,95,100,108,110,117,123,131,132,136,142,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00416 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00417 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00418 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00419 65,83,90,91,93,96,104,105,113,121,123,126,127,131,132,137,139,143,146,151,152,154,155,156,157,159,160,161,162,163,164,165 +0402_00420 54,74,90,92,95,104,108,110,111,115,117,123,131,136,139,141,146,149,151,154,155,156,157,158,159,160,161,164 +0402_00421 54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00422 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00423 53,54,57,72,89,98,113,123,126,127,131,137,139,140,143,145,146,150,152,154,157,159,160,162,163,164,165 +0402_00424 109,116,123,126,153,154,155,157,159,160,162,163,164,165 +0402_00425 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0402_00426 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00427 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0402_00428 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00429 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,124,126,127,130,136,139,140,143,146,148,152,157,159,160,162,163,164,165 +0402_00430 82,91,109,113,127,131,139,143,152,153,155,157,159,162,163,164,165 +0402_00431 90,91,104,113,123,127,131,132,139,143,144,146,147,150,152,154,155,157,159,162,163,164,165 +0402_00432 54,72,113,127,131,139,143,144,150,152,157,159,162,163,164,165 +0402_00433 29,38,43,48,50,53,54,57,62,65,66,69,72,74,75,76,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,99,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00434 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00435 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0402_00436 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00437 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0402_00438 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00439 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00440 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0402_00441 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00442 53,89,113,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00443 89,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0402_00444 74,90,104,115,116,123,132,139,147,149,154,155,157,159,160,164 +0402_00445 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0402_00446 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0402_00447 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0402_00448 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00449 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00450 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0402_00451 54,72,90,91,99,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,155,157,159,162,163,164,165 +0402_00452 99,123,139,154,157,159,162,163,164,165 +0402_00453 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00454 99,123,139,154,157,159,162,163,164,165 +0402_00455 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0402_00456 38,47,59,64,65,77,79,80,81,83,88,93,96,98,105,120,121,137,142,151,156,160,161,162,163,165 +0402_00457 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00458 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0402_00459 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00460 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00461 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00462 66,83,89,90,91,92,96,104,110,111,112,114,115,116,117,121,127,132,136,137,143,149,150,151,154,155,156,158,159,160,161,164,165 +0402_00463 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0402_00464 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00465 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0402_00466 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00467 113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00468 113,127,139,143,152,154,157,159,162,163,164,165 +0402_00469 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00470 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00471 65,83,84,90,91,92,96,104,105,110,111,117,121,131,132,137,142,151,154,155,156,158,161,162,163,164,165 +0402_00472 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0402_00473 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0402_00474 65,82,83,84,90,91,93,96,100,104,105,111,113,121,126,127,131,137,142,143,147,151,152,153,155,156,157,158,160,161,162,163,164,165 +0402_00475 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0402_00476 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00477 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0402_00478 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0402_00479 90,114,123,139,154,155,157,159,160,162,163,164,165 +0402_00480 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0402_00481 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0402_00482 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0402_00483 21,24,36,38,43,45,47,49,56,63,65,70,71,74,76,77,79,81,82,83,85,86,88,90,91,93,94,96,97,99,100,102,104,108,111,115,119,120,121,122,124,128,129,130,131,137,138,141,142,147,148,149,151,153,155,156,158,159,160,161,162,164,165 +0402_00484 90,91,104,118,123,132,139,147,154,155,157,159,162,163,164,165 +0402_00485 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0402_00486 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0402_00487 14,36,67,81,83,88,90,91,96,104,118,120,123,124,128,129,132,137,139,147,153,154,155,157,159,164,165 +0402_00488 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0402_00489 54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0402_00490 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0402_00491 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00492 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0402_00493 93,113,116,123,126,127,132,139,143,146,152,154,155,157,159,160,162,163,164,165 +0402_00494 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0402_00495 65,95,98,105,113,121,125,127,137,139,143,145,152,156,157,161,162,163,164,165 +0402_00496 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00497 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0402_00498 89,93,113,126,127,139,143,146,149,152,157,159,160,162,163,164,165 +0402_00499 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0402_00500 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0402_00501 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0402_00502 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00503 53,89,105,113,123,125,127,131,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0402_00504 24,49,56,63,70,71,89,94,95,102,113,119,122,124,127,130,133,135,139,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0402_00505 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0402_00506 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0402_00507 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0402_00508 65,83,90,91,96,105,121,132,137,151,154,155,156,161,162,163,164,165 +0402_00509 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00510 41,65,83,90,91,96,105,111,121,137,142,151,155,156,161,162,163,165 +0402_00511 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00512 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0402_00513 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00514 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0402_00515 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00516 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00517 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00518 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0402_00519 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00520 65,83,96,105,121,137,151,156,161,162,163,165 +0402_00521 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0402_00522 38,50,54,65,74,76,77,79,80,82,83,91,96,98,99,100,105,116,120,121,131,133,135,137,142,149,151,153,155,156,158,160,161,162,163,165 +0402_00523 65,77,79,83,96,105,120,121,137,142,144,149,150,151,156,160,161,162,163,165 +0402_00524 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0402_00525 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00526 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0402_00527 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0402_00528 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00529 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,131,133,135,136,139,145,146,148,151,156,158,159,161,162,163,164,165 +0402_00530 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0402_00531 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0402_00532 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0402_00533 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0402_00534 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0402_00535 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00536 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 diff --git a/processed_data/0402/0402_fingerprints_maccs_isomeric_success.tsv b/processed_data/0402/0402_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..4e7cb1e22 --- /dev/null +++ b/processed_data/0402/0402_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,537 @@ +id bits.on +0402_00001 29,43,48,69,72,89,102,106,112,124,126,127,130,131,136,139,140,143,146,148,150,152,157,159,163,164,165 +0402_00002 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00003 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00004 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00005 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00006 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00007 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00008 29,34,43,48,69,72,76,99,102,106,112,123,124,126,130,131,136,139,140,146,148,152,154,157,159,164 +0402_00009 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00010 53,54,72,89,90,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00011 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00012 29,37,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00013 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00014 29,43,48,54,69,72,89,90,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00015 29,43,48,53,69,72,82,89,90,91,102,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0402_00016 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00017 90,91,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00018 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00019 29,43,48,53,69,89,102,104,106,112,123,124,130,131,132,136,139,140,146,148,153,154,155,157,159,164 +0402_00020 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00021 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00022 99,123,131,136,139,140,146,154,157,159,164 +0402_00023 53,89,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00024 53,89,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00025 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00026 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00027 34,50,76,90,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0402_00028 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0402_00029 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00030 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0402_00031 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00032 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00033 53,54,66,72,89,90,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0402_00034 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00035 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00036 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0402_00037 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0402_00038 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0402_00039 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00040 53,72,82,88,90,123,131,132,136,139,146,152,153,154,155,157,159,164 +0402_00041 53,89,123,131,136,139,140,146,154,157,159,160,164 +0402_00042 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00043 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00044 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00045 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00046 53,72,89,123,131,136,139,140,146,152,154,157,159,164 +0402_00047 72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00048 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00049 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00050 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0402_00051 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00052 54,72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0402_00053 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0402_00054 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0402_00055 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0402_00056 99,123,131,136,139,140,146,154,157,159,164 +0402_00057 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00058 53,89,90,114,123,131,136,139,140,146,154,155,157,159,160,164 +0402_00059 50,76,99,123,131,136,139,140,146,154,157,159,160,164 +0402_00060 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00061 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00062 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00063 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00064 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00065 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00066 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0402_00067 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00068 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0402_00069 72,123,136,139,146,152,154,157,159,160,164 +0402_00070 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0402_00071 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00072 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0402_00073 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0402_00074 90,91,104,115,116,123,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0402_00075 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0402_00076 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00077 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0402_00078 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00079 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00080 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0402_00081 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00082 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00083 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0402_00084 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00085 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0402_00086 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00087 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00088 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00089 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00090 50,53,54,72,76,89,90,91,99,104,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00091 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00092 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00093 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0402_00094 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00095 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0402_00096 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0402_00097 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00098 53,54,57,72,76,82,83,89,91,96,99,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00099 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0402_00100 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00101 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0402_00102 53,54,72,82,89,90,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00103 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00104 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00105 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00106 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00107 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,88,89,102,106,112,113,123,124,127,130,131,136,139,140,143,144,146,148,150,152,154,157,159,162,163,164,165 +0402_00108 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00109 53,54,66,72,74,89,90,104,112,116,123,131,132,136,139,140,146,149,152,154,155,157,159,160,164 +0402_00110 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00111 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00112 29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00113 50,54,72,76,89,90,99,104,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0402_00114 37,43,53,77,82,84,90,91,97,100,104,106,110,111,117,123,131,132,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00115 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0402_00116 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0402_00117 54,72,123,131,139,146,152,154,157,159,160,164 +0402_00118 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00119 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0402_00120 54,84,90,91,95,97,104,109,111,118,123,126,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00121 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,147,152,153,154,155,157,159,164 +0402_00122 54,72,123,131,139,146,152,154,157,159,160,164 +0402_00123 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0402_00124 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0402_00125 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0402_00126 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0402_00127 53,54,72,89,127,131,139,140,143,146,150,152,157,159,163,164,165 +0402_00128 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00129 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0402_00130 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0402_00131 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00132 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00133 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0402_00134 37,43,53,54,77,80,89,90,91,92,95,97,98,104,106,110,111,117,120,121,123,127,131,132,136,137,139,140,142,143,146,151,154,156,157,158,159,161,163,164,165 +0402_00135 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0402_00136 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0402_00137 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00138 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0402_00139 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0402_00140 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00141 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 +0402_00142 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0402_00143 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0402_00144 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0402_00145 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00146 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0402_00147 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00148 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0402_00149 1,53,54,57,72,82,89,90,91,98,109,112,123,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00150 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00151 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00152 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00153 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0402_00154 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00155 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00156 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00157 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00158 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00159 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00160 54,84,95,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00161 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00162 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00163 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00164 53,82,89,90,109,115,123,131,139,146,153,154,155,157,159,160,164 +0402_00165 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00166 37,38,43,53,54,77,79,80,83,84,89,92,95,96,97,106,110,117,120,121,127,131,133,136,137,142,143,146,150,151,154,156,158,159,161,164,165 +0402_00167 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00168 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0402_00169 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0402_00170 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00171 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0402_00172 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00173 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0402_00174 54,66,74,84,95,112,123,131,139,149,151,154,156,157,158,159,160,161,164 +0402_00175 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00176 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0402_00177 53,82,84,90,97,100,115,123,131,139,151,153,154,155,157,158,159,160,161,164 +0402_00178 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00179 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0402_00180 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +0402_00181 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00182 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00183 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0402_00184 53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00185 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0402_00186 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00187 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,154,155,157,159,164 +0402_00188 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0402_00189 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00190 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00191 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0402_00192 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00193 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0402_00194 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00195 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00196 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00197 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00198 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0402_00199 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0402_00200 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00201 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00202 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0402_00203 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0402_00204 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0402_00205 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00206 53,89,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00207 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00208 54,84,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,160,161,164 +0402_00209 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0402_00210 53,54,57,72,89,90,91,98,104,109,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00211 53,54,72,82,89,90,91,104,109,131,132,139,140,146,152,153,154,155,157,159,164 +0402_00212 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00213 54,72,90,104,114,123,131,132,139,146,152,154,155,157,159,160,164 +0402_00214 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0402_00215 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00216 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00217 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00218 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0402_00219 49,65,75,85,93,97,98,121,122,123,137,148,154,157,158,159,160,161,162,163,164,165 +0402_00220 39,40,48,55,58,60,61,67,69,72,73,88,93,102,104,106,112,113,123,124,126,127,130,131,132,136,139,140,143,144,146,148,150,152,154,155,157,159,160,162,163,164,165 +0402_00221 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0402_00222 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00223 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0402_00224 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00225 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0402_00226 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0402_00227 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0402_00228 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00229 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00230 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00231 37,43,53,65,77,80,82,89,90,92,97,98,106,109,110,113,117,120,121,127,131,136,137,139,142,143,144,146,150,151,153,154,155,156,157,159,161,162,163,164,165 +0402_00232 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0402_00233 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00234 53,82,89,90,109,114,116,123,131,139,146,153,154,155,157,159,160,164 +0402_00235 54,66,72,90,104,112,114,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00236 53,54,57,72,82,89,90,91,98,104,109,112,123,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00237 38,52,53,54,57,62,65,72,75,77,79,80,82,83,84,89,90,91,92,94,95,96,97,109,110,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0402_00238 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00239 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00240 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0402_00241 25,43,75,77,78,79,83,85,86,90,91,92,93,95,96,97,100,104,106,110,111,115,117,119,120,121,122,127,131,132,133,137,142,143,148,150,151,153,154,156,158,160,161,164,165 +0402_00242 54,57,72,82,83,89,96,104,109,123,127,131,132,136,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0402_00243 54,72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00244 53,54,57,72,82,89,90,91,98,104,109,127,129,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00245 54,82,90,91,92,95,100,104,110,111,117,118,123,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00246 39,40,48,51,53,55,58,60,61,67,69,73,82,88,89,90,102,104,106,109,112,124,130,131,132,136,138,139,140,146,147,148,153,155,157,159,164 +0402_00247 65,98,121,123,137,139,154,157,159,161,162,163,164,165 +0402_00248 99,123,139,154,157,159,160,164 +0402_00249 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00250 90,104,115,116,123,132,136,139,146,147,152,154,155,157,159,160,164 +0402_00251 57,72,82,83,96,109,123,131,132,137,139,140,146,152,153,154,155,157,159,162,164,165 +0402_00252 82,85,86,91,95,100,104,109,111,118,122,123,128,129,131,132,138,139,140,146,147,148,153,154,155,157,158,159,161,164 +0402_00253 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00254 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00255 53,54,57,72,83,89,96,123,127,131,136,137,139,140,143,146,150,152,154,157,159,164,165 +0402_00256 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0402_00257 57,83,89,96,123,137,139,146,154,157,159,162,164,165 +0402_00258 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00259 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0402_00260 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00261 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0402_00262 29,38,45,48,50,53,54,57,62,65,69,72,75,76,77,79,80,83,84,85,89,90,91,92,95,96,97,98,99,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00263 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0402_00264 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00265 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0402_00266 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00267 29,38,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00268 54,92,95,110,117,123,131,136,139,146,149,151,154,156,157,158,159,160,161,164 +0402_00269 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,123,124,126,127,128,129,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00270 82,90,91,92,100,104,108,110,111,116,117,118,123,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00271 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00272 29,38,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0402_00273 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00274 29,37,38,48,57,62,65,69,72,75,77,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00275 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00276 54,79,82,84,90,91,92,95,100,104,110,111,114,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00277 14,54,67,84,88,90,91,95,104,111,118,123,124,128,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0402_00278 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0402_00279 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0402_00280 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0402_00281 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0402_00282 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0402_00283 53,54,57,72,82,89,90,91,93,98,109,123,126,127,131,132,137,139,140,143,146,150,152,153,155,157,159,160,163,164,165 +0402_00284 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0402_00285 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0402_00286 54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0402_00287 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0402_00288 54,72,84,90,91,95,104,111,113,123,127,131,139,140,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00289 54,72,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0402_00290 24,49,54,56,63,70,71,84,89,90,94,95,102,104,111,113,119,122,123,124,127,130,131,133,135,136,139,140,142,143,144,146,148,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0402_00291 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00292 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00293 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0402_00294 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00295 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0402_00296 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 +0402_00297 53,66,74,89,104,112,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0402_00298 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00299 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00300 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0402_00301 29,38,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,125,126,127,130,131,132,133,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00302 1,54,81,84,86,88,90,91,93,95,104,111,112,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00303 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0402_00304 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 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37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00415 49,54,79,82,91,92,95,100,108,110,117,123,131,132,136,142,146,151,153,154,155,156,157,158,159,160,161,164 +0402_00416 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00417 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0402_00418 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00419 65,83,90,91,93,96,104,105,113,121,123,126,127,131,132,137,139,143,146,151,152,154,155,156,157,159,160,161,162,163,164,165 +0402_00420 54,74,90,92,95,104,108,110,111,115,117,123,131,136,139,141,146,149,151,154,155,156,157,158,159,160,161,164 +0402_00421 54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00422 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0402_00423 53,54,57,72,89,98,113,123,126,127,131,137,139,140,143,145,146,150,152,154,157,159,160,162,163,164,165 +0402_00424 109,116,123,126,153,154,155,157,159,160,162,163,164,165 +0402_00425 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0402_00426 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00427 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0402_00428 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0402_00429 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,124,126,127,130,136,139,140,143,146,148,152,157,159,160,162,163,164,165 +0402_00430 82,91,109,113,127,131,139,143,152,153,155,157,159,162,163,164,165 +0402_00431 90,91,104,113,123,127,131,132,139,143,144,146,147,150,152,154,155,157,159,162,163,164,165 +0402_00432 54,72,113,127,131,139,143,144,150,152,157,159,162,163,164,165 +0402_00433 29,38,43,48,50,53,54,57,62,65,66,69,72,74,75,76,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,99,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00434 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00435 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0402_00436 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00437 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0402_00438 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00439 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00440 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0402_00441 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00442 53,89,113,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00443 89,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0402_00444 74,90,104,115,116,123,132,139,147,149,154,155,157,159,160,164 +0402_00445 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0402_00446 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0402_00447 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0402_00448 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00449 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0402_00450 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0402_00451 54,72,90,91,99,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,155,157,159,162,163,164,165 +0402_00452 99,123,139,154,157,159,162,163,164,165 +0402_00453 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00454 99,123,139,154,157,159,162,163,164,165 +0402_00455 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0402_00456 38,47,59,64,65,77,79,80,81,83,88,93,96,98,105,120,121,137,142,151,156,160,161,162,163,165 +0402_00457 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00458 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0402_00459 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00460 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00461 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00462 66,83,89,90,91,92,96,104,110,111,112,114,115,116,117,121,127,132,136,137,143,149,150,151,154,155,156,158,159,160,161,164,165 +0402_00463 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0402_00464 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0402_00465 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0402_00466 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0402_00467 113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0402_00468 113,127,139,143,152,154,157,159,162,163,164,165 +0402_00469 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00470 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00471 65,83,84,90,91,92,96,104,105,110,111,117,121,131,132,137,142,151,154,155,156,158,161,162,163,164,165 +0402_00472 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0402_00473 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0402_00474 65,82,83,84,90,91,93,96,100,104,105,111,113,121,126,127,131,137,142,143,147,151,152,153,155,156,157,158,160,161,162,163,164,165 +0402_00475 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0402_00476 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00477 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0402_00478 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0402_00479 90,114,123,139,154,155,157,159,160,162,163,164,165 +0402_00480 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0402_00481 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0402_00482 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0402_00483 21,24,36,38,43,45,47,49,56,63,65,70,71,74,76,77,79,81,82,83,85,86,88,90,91,93,94,96,97,99,100,102,104,108,111,115,119,120,121,122,124,128,129,130,131,137,138,141,142,147,148,149,151,153,155,156,158,159,160,161,162,164,165 +0402_00484 90,91,104,118,123,132,139,147,154,155,157,159,162,163,164,165 +0402_00485 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0402_00486 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0402_00487 14,36,67,81,83,88,90,91,96,104,118,120,123,124,128,129,132,137,139,147,153,154,155,157,159,164,165 +0402_00488 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0402_00489 54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0402_00490 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0402_00491 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00492 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0402_00493 93,113,116,123,126,127,132,139,143,146,152,154,155,157,159,160,162,163,164,165 +0402_00494 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0402_00495 65,95,98,105,113,121,125,127,137,139,143,145,152,156,157,161,162,163,164,165 +0402_00496 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00497 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0402_00498 89,93,113,126,127,139,143,146,149,152,157,159,160,162,163,164,165 +0402_00499 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0402_00500 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0402_00501 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0402_00502 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00503 53,89,105,113,123,125,127,131,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0402_00504 24,49,56,63,70,71,89,94,95,102,113,119,122,124,127,130,133,135,139,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0402_00505 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0402_00506 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0402_00507 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0402_00508 65,83,90,91,96,105,121,132,137,151,154,155,156,161,162,163,164,165 +0402_00509 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00510 41,65,83,90,91,96,105,111,121,137,142,151,155,156,161,162,163,165 +0402_00511 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00512 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0402_00513 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00514 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0402_00515 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00516 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0402_00517 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0402_00518 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0402_00519 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00520 65,83,96,105,121,137,151,156,161,162,163,165 +0402_00521 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0402_00522 38,50,54,65,74,76,77,79,80,82,83,91,96,98,99,100,105,116,120,121,131,133,135,137,142,149,151,153,155,156,158,160,161,162,163,165 +0402_00523 65,77,79,83,96,105,120,121,137,142,144,149,150,151,156,160,161,162,163,165 +0402_00524 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0402_00525 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0402_00526 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0402_00527 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0402_00528 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0402_00529 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,131,133,135,136,139,145,146,148,151,156,158,159,161,162,163,164,165 +0402_00530 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0402_00531 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0402_00532 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0402_00533 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0402_00534 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0402_00535 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0402_00536 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 diff --git a/processed_data/0402/0402_fingerprints_pubchem_canonical_success.tsv b/processed_data/0402/0402_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..bc2d601d9 --- /dev/null +++ b/processed_data/0402/0402_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,537 @@ +id bits.on +0402_00001 10,11,19,20,21,22,23,31,32,33,179,180,284,285,287,309,315,333,340,342,345,347,353,367,408,412,426,457,568,583,638,640,680,681,682,690,691,702,783,804,825 +0402_00002 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00003 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00004 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00005 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00006 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0402_00007 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0402_00008 10,19,20,21,31,284,285,287,309,315,333,342,345,353,381,407,408,412,417,421,426,441,442,444,447,453,457,463,538,554,568,574,664,668,673 +0402_00009 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00010 10,11,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0402_00011 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00012 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,441,442,443,444,446,447,448,450,451,452,453,454,457,463,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,538,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,580,581,582,583,586,593,594,597,602,606,613,614,615,618,622,625,629,637,638,639,640,643,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,685,687,690,691,692,693,694,702,703,706 +0402_00013 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00014 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0402_00015 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0402_00016 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00017 10,11,19,20,21,284,285,287,309,333,334,336,345,353,381,407,421,441,444,453,536,580,583,618,638,681,682,685,687,688,691,694,695,709,711 +0402_00018 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00019 10,19,20,21,31,284,285,287,293,309,315,345,349,353,381,407,412,421,426,441,444,453,457 +0402_00020 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00021 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00022 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0402_00023 10,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,582,589,618,640,643 +0402_00024 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0402_00025 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00026 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0402_00027 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,642,668,673,682,687,688 +0402_00028 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0402_00029 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00030 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00031 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00032 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00033 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,618,638,640,643,664,682,687,688,709 +0402_00034 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0402_00035 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00036 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00037 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00038 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0402_00039 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695 +0402_00040 10,19,20,34,284,285,287,294,309,333,342,345,350,353,354,369,381,407,414,421,433,441,444,453,463,536,538,618 +0402_00041 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0402_00042 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00043 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,680,681,685,690,693,694,695,707 +0402_00044 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0402_00045 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0402_00046 10,19,20,21,285,287,309,333,342,353,381,407,421,433,441,444,453,463,536,538,582,589,618,640,643 +0402_00047 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,687,688,691,694,695 +0402_00048 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00049 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10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0402_00090 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,600,618,620,638,640,641,642,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0402_00091 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00092 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00093 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0402_00094 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0402_00095 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0402_00096 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0402_00097 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0402_00098 10,11,19,20,21,144,150,284,285,287,309,333,340,342,345,347,353,367,381,406,407,417,421,441,442,444,453,463,491,499,525,538,554,557,568,572,574,595,615,618,620,638,640,641,642,661,663,664,667,672,679,682 +0402_00099 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0402_00100 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00101 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0402_00102 10,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,582,618,640,643,664 +0402_00103 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0402_00104 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0402_00105 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0402_00106 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00107 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,334,342,345,353,354,356,357,371,372,381,382,383,384,385,407,409,415,417,421,431,435,441,442,444,447,453,458,459,460,466,471,482,491,494,499,517,521,525,532,533,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0402_00108 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00109 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0402_00110 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0402_00111 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00112 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00113 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,582,583,600,618,620,638,641,642,643,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0402_00114 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,581,614,618,639,644,646,647,655 +0402_00115 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0402_00116 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0402_00117 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0402_00118 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0402_00119 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0402_00120 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0402_00121 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0402_00122 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0402_00123 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0402_00124 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0402_00125 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0402_00126 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0402_00127 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0402_00128 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,582,603,618,640,643,644,646,647,657,660 +0402_00129 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0402_00130 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0402_00131 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0402_00132 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0402_00133 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0402_00134 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0402_00135 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0402_00136 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0402_00137 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0402_00138 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0402_00139 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0402_00140 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0402_00141 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +0402_00142 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0402_00143 10,11,15,19,20,116,117,284,285,286,287,300,309,333,334,337,341,345,352,353,381,394,407,421,441,444,453,536,537,567,580,618,638,644 +0402_00144 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0402_00145 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0402_00146 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 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10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0402_00153 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0402_00154 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0402_00155 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00156 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00157 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10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0402_00168 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0402_00169 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0402_00170 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00171 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0402_00172 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0402_00173 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0402_00174 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0402_00175 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0402_00176 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0402_00177 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0402_00178 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00179 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10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0402_00245 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0402_00246 10,19,20,21,34,284,285,287,294,309,345,347,350,353,354,367,369,407,409,415,458,459,460,466,572 +0402_00247 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0402_00248 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0402_00249 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00250 10,11,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,618,638,681,685,687,688 +0402_00251 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0402_00252 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0402_00253 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0402_00254 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00255 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,437,441,444,449,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00256 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0402_00257 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0402_00258 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00259 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0402_00260 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00261 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0402_00262 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00263 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00264 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00265 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0402_00266 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0402_00267 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,680,681,682,683,684,690,691,692,702,703 +0402_00268 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0402_00269 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,348,352,353,356,357,359,366,367,368,371,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,564,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00270 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0402_00271 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0402_00272 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,681,682,683,684,691,692,703 +0402_00273 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0402_00274 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00275 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00276 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0402_00277 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0402_00278 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0402_00279 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0402_00280 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00281 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0402_00282 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0402_00283 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00284 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0402_00285 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0402_00286 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0402_00287 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00288 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0402_00289 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00290 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0402_00291 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00292 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0402_00293 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0402_00294 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0402_00295 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0402_00296 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0402_00297 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,618,638,640,643,709 +0402_00298 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0402_00299 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0402_00300 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0402_00301 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,647,648,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0402_00302 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0402_00303 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0402_00304 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0402_00305 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00306 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0402_00307 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00308 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00309 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00310 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00311 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0402_00312 10,11,19,20,34,284,285,287,294,309,333,340,342,345,347,350,353,354,367,369,375,381,407,413,421,441,444,453,463,508,536,538,568,572,580,587,618,638,664 +0402_00313 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00314 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,757,762,799,820,825 +0402_00315 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0402_00316 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0402_00317 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00318 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0402_00319 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0402_00320 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0402_00321 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0402_00322 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00323 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0402_00324 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00325 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0402_00326 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0402_00327 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0402_00328 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0402_00329 10,11,15,19,20,21,144,147,256,257,284,285,286,287,300,309,333,342,345,346,347,352,353,356,366,367,371,372,381,382,385,391,393,394,406,407,410,417,421,433,435,437,440,441,442,444,447,449,452,453,463,465,471,477,491,494,499,517,521,525,529,536,537,538,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,606,607,608,609,614,615,616,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,660,661,665,667,669,672,673,678,679,681,684,685,692,694,695,696,703 +0402_00330 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0402_00331 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00332 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0402_00333 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00334 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0402_00335 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0402_00336 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0402_00337 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00338 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0402_00339 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0402_00340 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0402_00341 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0402_00342 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00343 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,340,342,345,347,348,353,356,367,368,371,372,381,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,690,691,701,702,720,783 +0402_00344 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0402_00345 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00346 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00347 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0402_00348 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00349 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0402_00350 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00351 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,683,684,685,687,689,690,693,700,705,709,710,711,736,799 +0402_00352 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00353 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0402_00354 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0402_00355 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0402_00356 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0402_00357 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0402_00358 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0402_00359 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0402_00360 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,711 +0402_00361 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00362 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0402_00363 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0402_00364 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0402_00365 10,11,12,19,20,21,179,185,284,285,287,333,334,336,342,345,353,375,381,406,417,421,433,435,441,442,444,447,453,477,491,499,525,536,554,557,580,582,583,589,600,615,638,641,643,661,672,679,709,711 +0402_00366 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0402_00367 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0402_00368 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0402_00369 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00370 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00371 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00372 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0402_00373 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0402_00374 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0402_00375 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0402_00376 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0402_00377 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00378 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00379 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 +0402_00380 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,494,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00381 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,565,574,600,620,665,668,672,673 +0402_00382 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00383 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0402_00384 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00385 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00386 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00387 10,19,34,284,285,287,294,345,353,354,375,414,421,444 +0402_00388 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0402_00389 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0402_00390 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0402_00391 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0402_00392 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0402_00393 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00394 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0402_00395 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,709,710 +0402_00396 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00397 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,582,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00398 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00399 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00400 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00401 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0402_00402 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00403 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0402_00404 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00405 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0402_00406 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0402_00407 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0402_00408 10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,409,417,419,431,432,435,436,438,442,443,446,447,448,450,454,459,460,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,596,600,601,604,607,608,609,614,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0402_00409 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0402_00410 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00411 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00412 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0402_00413 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0402_00414 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00415 10,11,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,393,394,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0402_00416 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00417 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0402_00418 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00419 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0402_00420 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0402_00421 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0402_00422 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00423 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,590,595,596,600,604,605,606,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,643,652,656,661,662,663,664,665,667,669,678,679,680,681,682,685,687,689,690,691,693,694,701,702,706,709,710,711,715,778 +0402_00424 10,11,12,19,20,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0402_00425 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00426 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0402_00427 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0402_00428 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,699,702,705,709,710,711,741,757,804,820 +0402_00429 10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,409,417,431,435,442,447,459,460,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0402_00430 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,689,690,699,700,709,710,711,736,799 +0402_00431 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +0402_00432 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,690,762,825 +0402_00433 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,525,529,531,536,538,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,672,675,681,682,683,684,687,691,692,703,709,712 +0402_00434 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0402_00435 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0402_00436 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0402_00437 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0402_00438 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00439 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00440 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0402_00441 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00442 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0402_00443 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,623,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0402_00444 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0402_00445 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0402_00446 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00447 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0402_00448 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00449 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00450 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00451 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,762,778,799,825 +0402_00452 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0402_00453 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00454 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0402_00455 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00456 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0402_00457 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0402_00458 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00459 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00460 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0402_00461 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0402_00462 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0402_00463 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0402_00464 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0402_00465 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0402_00466 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0402_00467 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0402_00468 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,689,690,693,700,705,709,710,711,736,799 +0402_00469 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0402_00470 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0402_00471 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00472 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0402_00473 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0402_00474 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00475 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0402_00476 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0402_00477 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00478 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00479 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0402_00480 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0402_00481 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0402_00482 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00483 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,302,333,341,345,346,350,352,354,356,358,359,366,369,371,375,376,377,384,388,391,392,393,394,396,397,402,404,413,417,419,422,424,432,438,442,443,446,447,450,454,455,456,473,474,475,476,481,483,490,496,501,503,507,508,509,529,532,534,540,541,547,561,570,587,600,612,637,644,655,657,659 +0402_00484 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711 +0402_00485 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0402_00486 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00487 10,11,12,19,20,34,35,144,147,284,285,287,294,309,333,345,350,353,354,369,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00488 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00489 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0402_00490 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,699,700,709,710,711,736,757,762,799,820,825 +0402_00491 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0402_00492 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0402_00493 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00494 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00495 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0402_00496 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00497 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0402_00498 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0402_00499 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0402_00500 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0402_00501 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0402_00502 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0402_00503 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0402_00504 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,684,689,690,709,710,711,715,738,764,778,801,827 +0402_00505 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0402_00506 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0402_00507 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0402_00508 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00509 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0402_00510 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,420,430,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,569,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,677,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00511 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0402_00512 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0402_00513 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0402_00514 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0402_00515 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00516 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0402_00517 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00518 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0402_00519 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0402_00520 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0402_00521 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00522 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0402_00523 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0402_00524 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0402_00525 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00526 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00527 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0402_00528 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0402_00529 10,11,12,13,15,19,20,34,179,180,186,187,193,194,256,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,371,372,377,378,384,385,386,391,393,394,409,415,417,431,435,438,442,447,450,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,630,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,737,738,756,758,759,800,801,819,821,822 +0402_00530 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0402_00531 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0402_00532 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0402_00533 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0402_00534 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00535 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0402_00536 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 diff --git a/processed_data/0402/0402_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0402/0402_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..6a020738a --- /dev/null +++ b/processed_data/0402/0402_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,537 @@ +id bits.on +0402_00001 10,11,19,20,21,22,23,31,32,33,179,180,284,285,287,309,315,333,340,342,345,347,353,367,408,412,426,457,568,583,638,640,680,681,682,690,691,702,783,804,825 +0402_00002 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00003 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00004 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00005 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00006 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0402_00007 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0402_00008 10,19,20,21,31,284,285,287,309,315,333,342,345,353,381,407,408,412,417,421,426,441,442,444,447,453,457,463,538,554,568,574,664,668,673 +0402_00009 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00010 10,11,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0402_00011 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00012 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,441,442,443,444,446,447,448,450,451,452,453,454,457,463,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,538,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,580,581,582,583,586,593,594,597,602,606,613,614,615,618,622,625,629,637,638,639,640,643,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,685,687,690,691,692,693,694,702,703,706 +0402_00013 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00014 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0402_00015 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0402_00016 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00017 10,11,19,20,21,284,285,287,309,333,334,336,345,353,381,407,421,441,444,453,536,580,583,618,638,681,682,685,687,688,691,694,695,709,711 +0402_00018 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00019 10,19,20,21,31,284,285,287,293,309,315,345,349,353,381,407,412,421,426,441,444,453,457 +0402_00020 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00021 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00022 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0402_00023 10,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,582,589,618,640,643 +0402_00024 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0402_00025 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00026 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0402_00027 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,642,668,673,682,687,688 +0402_00028 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0402_00029 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00030 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00031 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00032 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00033 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,618,638,640,643,664,682,687,688,709 +0402_00034 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0402_00035 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00036 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00037 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00038 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0402_00039 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695 +0402_00040 10,19,20,34,284,285,287,294,309,333,342,345,350,353,354,369,381,407,414,421,433,441,444,453,463,536,538,618 +0402_00041 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0402_00042 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00043 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,680,681,685,690,693,694,695,707 +0402_00044 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0402_00045 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0402_00046 10,19,20,21,285,287,309,333,342,353,381,407,421,433,441,444,453,463,536,538,582,589,618,640,643 +0402_00047 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,687,688,691,694,695 +0402_00048 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00049 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00050 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0402_00051 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0402_00052 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,682,685,687,691,694,695 +0402_00053 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0402_00054 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0402_00055 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0402_00056 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0402_00057 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0402_00058 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,582,589,618,638,640,643,709 +0402_00059 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0402_00060 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0402_00061 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0402_00062 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00063 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00064 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0402_00065 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00066 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0402_00067 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0402_00068 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0402_00069 10,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,463,536,538,618 +0402_00070 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0402_00071 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00072 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0402_00073 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0402_00074 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0402_00075 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0402_00076 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00077 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0402_00078 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0402_00079 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0402_00080 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0402_00081 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0402_00082 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00083 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0402_00084 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00085 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0402_00086 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0402_00087 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00088 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00089 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0402_00090 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,600,618,620,638,640,641,642,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0402_00091 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00092 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00093 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0402_00094 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0402_00095 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0402_00096 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0402_00097 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0402_00098 10,11,19,20,21,144,150,284,285,287,309,333,340,342,345,347,353,367,381,406,407,417,421,441,442,444,453,463,491,499,525,538,554,557,568,572,574,595,615,618,620,638,640,641,642,661,663,664,667,672,679,682 +0402_00099 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0402_00100 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00101 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0402_00102 10,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,582,618,640,643,664 +0402_00103 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0402_00104 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0402_00105 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0402_00106 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00107 10,11,19,20,21,34,179,180,256,284,285,287,294,309,333,334,342,345,353,354,356,357,371,372,381,382,383,384,385,407,409,415,417,421,431,435,441,442,444,447,453,458,459,460,466,471,482,491,494,499,517,521,525,532,533,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0402_00108 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00109 10,11,19,20,21,284,285,287,309,333,334,336,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,709,710,711,713 +0402_00110 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0402_00111 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00112 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00113 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,582,583,600,618,620,638,641,642,643,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0402_00114 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,581,614,618,639,644,646,647,655 +0402_00115 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0402_00116 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0402_00117 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0402_00118 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0402_00119 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0402_00120 10,11,12,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,406,407,421,441,444,453,529,536,537,567,580,615,618,638,639,644,682,687,688 +0402_00121 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0402_00122 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0402_00123 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0402_00124 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0402_00125 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0402_00126 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0402_00127 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0402_00128 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,582,603,618,640,643,644,646,647,657,660 +0402_00129 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,593,594,603,614,618,638,644,646,647,657,660,683,686,687,688 +0402_00130 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0402_00131 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0402_00132 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0402_00133 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0402_00134 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0402_00135 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0402_00136 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0402_00137 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0402_00138 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0402_00139 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0402_00140 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0402_00141 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +0402_00142 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0402_00143 10,11,15,19,20,116,117,284,285,286,287,300,309,333,334,337,341,345,352,353,381,394,407,421,441,444,453,536,537,567,580,618,638,644 +0402_00144 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0402_00145 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0402_00146 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0402_00147 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00148 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0402_00149 1,10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00150 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0402_00151 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0402_00152 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0402_00153 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0402_00154 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0402_00155 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00156 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00157 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0402_00158 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0402_00159 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0402_00160 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0402_00161 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0402_00162 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00163 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00164 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,582,618,640,643 +0402_00165 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00166 10,11,15,16,17,19,20,144,146,147,284,285,286,287,300,345,346,352,353,366,376,391,393,394,421,440,444,452,529,537,541,561,570,603,612,637,644,646,647,648,651,655 +0402_00167 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0402_00168 10,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,537,567 +0402_00169 10,11,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0402_00170 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00171 10,11,15,19,20,284,285,286,287,333,345,346,352,353,366,375,381,391,392,421,441,444,453,536,541,580,593,614,638,683,686 +0402_00172 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0402_00173 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0402_00174 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,375,381,394,407,421,441,444,453,536,537,567,618,644 +0402_00175 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0402_00176 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0402_00177 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,581,618,639,644 +0402_00178 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00179 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0402_00180 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +0402_00181 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0402_00182 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00183 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0402_00184 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0402_00185 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0402_00186 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00187 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,421,433,444,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0402_00188 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0402_00189 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,465,471,491,499,517,521,525,529,536,537,542,543,549,550,553,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,704,705,709,710,711,715,778 +0402_00190 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00191 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0402_00192 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00193 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +0402_00194 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00195 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0402_00196 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00197 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0402_00198 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0402_00199 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0402_00200 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00201 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00202 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00203 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,433,444,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,694,701,702 +0402_00204 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0402_00205 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00206 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,640,641,642,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,699,700,702,705,709,710,711,736,741,799,804 +0402_00207 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00208 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0402_00209 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0402_00210 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0402_00211 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,421,437,444,449,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,685,687,694 +0402_00212 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00213 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,618,638,664 +0402_00214 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,699,700,705,709,710,711,777 +0402_00215 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0402_00216 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0402_00217 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00218 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0402_00219 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0402_00220 10,11,12,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,409,417,421,431,435,441,442,444,447,453,459,460,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00221 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0402_00222 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0402_00223 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0402_00224 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00225 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0402_00226 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0402_00227 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00228 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0402_00229 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,414,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,660,663,664,675,681,682,683,684,687,691,692,703,709,712 +0402_00230 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00231 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,359,366,367,371,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,572,573,574,577,581,582,586,594,597,600,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0402_00232 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0402_00233 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00234 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643,709 +0402_00235 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0402_00236 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0402_00237 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,301,309,333,340,342,345,346,347,352,353,359,360,366,367,374,376,380,390,391,394,397,404,406,407,419,421,423,439,440,443,444,448,451,452,454,468,473,485,487,488,492,495,497,505,507,516,518,520,522,537,541,561,567,568,570,572,573,583,593,597,603,612,613,614,615,618,637,638,639,640,645,655,660,663,664,681,682,683,684,691,692,703 +0402_00238 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00239 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00240 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0402_00241 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0402_00242 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,433,441,444,453,463,536,538,568,572,580,582,583,589,606,615,618,638,640,643,663,664,680,681,685,687,690,691,693,694,702,706 +0402_00243 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00244 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0402_00245 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0402_00246 10,19,20,21,34,284,285,287,294,309,345,347,350,353,354,367,369,407,409,415,458,459,460,466,572 +0402_00247 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0402_00248 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0402_00249 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00250 10,11,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,618,638,681,685,687,688 +0402_00251 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0402_00252 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0402_00253 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0402_00254 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00255 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,437,441,444,449,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00256 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0402_00257 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0402_00258 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00259 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0402_00260 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0402_00261 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0402_00262 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00263 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0402_00264 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00265 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0402_00266 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0402_00267 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,680,681,682,683,684,690,691,692,702,703 +0402_00268 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0402_00269 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,348,352,353,356,357,359,366,367,368,371,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,564,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0402_00270 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0402_00271 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0402_00272 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,681,682,683,684,691,692,703 +0402_00273 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0402_00274 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00275 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00276 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0402_00277 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0402_00278 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0402_00279 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0402_00280 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00281 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0402_00282 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0402_00283 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00284 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0402_00285 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0402_00286 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0402_00287 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0402_00288 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0402_00289 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00290 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0402_00291 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00292 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0402_00293 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0402_00294 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0402_00295 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0402_00296 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0402_00297 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,618,638,640,643,709 +0402_00298 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0402_00299 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0402_00300 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0402_00301 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,647,648,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0402_00302 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0402_00303 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0402_00304 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0402_00305 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00306 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0402_00307 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00308 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00309 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00310 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00311 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0402_00312 10,11,19,20,34,284,285,287,294,309,333,340,342,345,347,350,353,354,367,369,375,381,407,413,421,441,444,453,463,508,536,538,568,572,580,587,618,638,664 +0402_00313 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00314 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,757,762,799,820,825 +0402_00315 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0402_00316 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0402_00317 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00318 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0402_00319 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0402_00320 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0402_00321 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0402_00322 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00323 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0402_00324 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0402_00325 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0402_00326 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0402_00327 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0402_00328 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0402_00329 10,11,15,19,20,21,144,147,256,257,284,285,286,287,300,309,333,342,345,346,347,352,353,356,366,367,371,372,381,382,385,391,393,394,406,407,410,417,421,433,435,437,440,441,442,444,447,449,452,453,463,465,471,477,491,494,499,517,521,525,529,536,537,538,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,606,607,608,609,614,615,616,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,660,661,665,667,669,672,673,678,679,681,684,685,692,694,695,696,703 +0402_00330 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0402_00331 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0402_00332 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0402_00333 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00334 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0402_00335 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0402_00336 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0402_00337 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00338 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0402_00339 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0402_00340 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0402_00341 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0402_00342 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00343 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,340,342,345,347,348,353,356,367,368,371,372,381,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,690,691,701,702,720,783 +0402_00344 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0402_00345 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00346 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00347 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0402_00348 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00349 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0402_00350 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00351 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,683,684,685,687,689,690,693,700,705,709,710,711,736,799 +0402_00352 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00353 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0402_00354 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0402_00355 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0402_00356 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0402_00357 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0402_00358 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0402_00359 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0402_00360 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,711 +0402_00361 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0402_00362 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0402_00363 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0402_00364 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0402_00365 10,11,12,19,20,21,179,185,284,285,287,333,334,336,342,345,353,375,381,406,417,421,433,435,441,442,444,447,453,477,491,499,525,536,554,557,580,582,583,589,600,615,638,641,643,661,672,679,709,711 +0402_00366 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0402_00367 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0402_00368 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0402_00369 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00370 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00371 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00372 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0402_00373 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0402_00374 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0402_00375 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0402_00376 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0402_00377 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00378 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00379 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 +0402_00380 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,494,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00381 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,565,574,600,620,665,668,672,673 +0402_00382 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00383 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0402_00384 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00385 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0402_00386 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00387 10,19,34,284,285,287,294,345,353,354,375,414,421,444 +0402_00388 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0402_00389 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0402_00390 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0402_00391 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0402_00392 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0402_00393 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00394 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0402_00395 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,709,710 +0402_00396 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00397 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,582,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00398 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00399 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00400 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00401 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0402_00402 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0402_00403 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0402_00404 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00405 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0402_00406 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0402_00407 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0402_00408 10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,409,417,419,431,432,435,436,438,442,443,446,447,448,450,454,459,460,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,596,600,601,604,607,608,609,614,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0402_00409 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0402_00410 1,10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00411 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00412 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0402_00413 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0402_00414 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00415 10,11,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,393,394,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0402_00416 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00417 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0402_00418 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00419 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0402_00420 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0402_00421 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0402_00422 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0402_00423 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,590,595,596,600,604,605,606,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,643,652,656,661,662,663,664,665,667,669,678,679,680,681,682,685,687,689,690,691,693,694,701,702,706,709,710,711,715,778 +0402_00424 10,11,12,19,20,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0402_00425 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00426 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0402_00427 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0402_00428 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,699,702,705,709,710,711,741,757,804,820 +0402_00429 10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,409,417,431,435,442,447,459,460,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0402_00430 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,689,690,699,700,709,710,711,736,799 +0402_00431 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +0402_00432 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,690,762,825 +0402_00433 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,525,529,531,536,538,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,672,675,681,682,683,684,687,691,692,703,709,712 +0402_00434 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0402_00435 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0402_00436 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0402_00437 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0402_00438 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00439 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0402_00440 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0402_00441 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00442 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0402_00443 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,623,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0402_00444 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0402_00445 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0402_00446 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0402_00447 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0402_00448 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00449 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0402_00450 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00451 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,762,778,799,825 +0402_00452 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0402_00453 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00454 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0402_00455 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00456 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0402_00457 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0402_00458 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0402_00459 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00460 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0402_00461 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0402_00462 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0402_00463 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0402_00464 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0402_00465 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0402_00466 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0402_00467 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0402_00468 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,689,690,693,700,705,709,710,711,736,799 +0402_00469 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0402_00470 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0402_00471 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00472 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0402_00473 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0402_00474 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00475 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0402_00476 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0402_00477 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00478 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0402_00479 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0402_00480 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0402_00481 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0402_00482 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00483 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,302,333,341,345,346,350,352,354,356,358,359,366,369,371,375,376,377,384,388,391,392,393,394,396,397,402,404,413,417,419,422,424,432,438,442,443,446,447,450,454,455,456,473,474,475,476,481,483,490,496,501,503,507,508,509,529,532,534,540,541,547,561,570,587,600,612,637,644,655,657,659 +0402_00484 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711 +0402_00485 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0402_00486 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0402_00487 10,11,12,19,20,34,35,144,147,284,285,287,294,309,333,345,350,353,354,369,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00488 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00489 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0402_00490 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,699,700,709,710,711,736,757,762,799,820,825 +0402_00491 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0402_00492 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0402_00493 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0402_00494 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0402_00495 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0402_00496 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0402_00497 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0402_00498 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0402_00499 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0402_00500 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0402_00501 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0402_00502 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0402_00503 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0402_00504 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,684,689,690,709,710,711,715,738,764,778,801,827 +0402_00505 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0402_00506 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0402_00507 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0402_00508 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0402_00509 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0402_00510 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,420,430,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,569,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,677,678,679,680,684,689,697,698,709,710,711,713,759,822 +0402_00511 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0402_00512 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0402_00513 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0402_00514 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0402_00515 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00516 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0402_00517 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00518 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0402_00519 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0402_00520 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0402_00521 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0402_00522 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0402_00523 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0402_00524 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0402_00525 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0402_00526 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0402_00527 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0402_00528 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0402_00529 10,11,12,13,15,19,20,34,179,180,186,187,193,194,256,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,371,372,377,378,384,385,386,391,393,394,409,415,417,431,435,438,442,447,450,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,630,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,737,738,756,758,759,800,801,819,821,822 +0402_00530 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0402_00531 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0402_00532 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0402_00533 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0402_00534 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0402_00535 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0402_00536 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 diff --git a/processed_data/0402/0402_gradient.tsv b/processed_data/0402/0402_gradient.tsv new file mode 100644 index 000000000..88e608a98 --- /dev/null +++ b/processed_data/0402/0402_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/processed_data/0402/0402_info.tsv b/processed_data/0402/0402_info.tsv new file mode 100644 index 000000000..10de384f6 --- /dev/null +++ b/processed_data/0402/0402_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0402 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_81 diff --git a/processed_data/0402/0402_metadata.tsv b/processed_data/0402/0402_metadata.tsv new file mode 100644 index 000000000..17e76ccf2 --- /dev/null +++ b/processed_data/0402/0402_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0402 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.35 0.63 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2 98 0 0 diff --git a/processed_data/0402/0402_report_canonical.pdf b/processed_data/0402/0402_report_canonical.pdf new file mode 100644 index 000000000..1c98abc4c Binary files /dev/null and b/processed_data/0402/0402_report_canonical.pdf differ diff --git a/processed_data/0402/0402_report_isomeric.pdf b/processed_data/0402/0402_report_isomeric.pdf new file mode 100644 index 000000000..9416f3c40 Binary files /dev/null and b/processed_data/0402/0402_report_isomeric.pdf differ diff --git a/processed_data/0402/0402_rtdata_canonical_success.tsv b/processed_data/0402/0402_rtdata_canonical_success.tsv new file mode 100644 index 000000000..9f006176f --- /dev/null +++ b/processed_data/0402/0402_rtdata_canonical_success.tsv @@ -0,0 +1,537 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0402_00001 C6H18O24P6 0.58828602 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) IMQLKJBTEOYOSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00002 C10H15N5O10P2 0.62080789 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) WHTCPDAXWFLDIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0402_00003 C9H16N3O14P3 0.62368644 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18) PCDQPRRSZKQHHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0402_00004 C9H15N2O15P3 0.63079769 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18) PGAVKCOVUIYSFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0402_00005 C6H13O10P 0.63239004 C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15) BIRSGZKFKXLSJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0402_00006 C6H8O7 0.63264809 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00007 C6H6O6 0.63454287 C(C(=CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) GTZCVFVGUGFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00008 C3H5O6P 0.63774059 C=C(C(=O)O)OP(=O)(O)O InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) DTBNBXWJWCWCIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) NA (NA) NA (NA) +0402_00009 C9H15N2O14P3 0.63834754 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17) AHCYMLUZIRLXAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0402_00010 C6H8O7 0.63965296 C(C(C(C(=O)O)O)C(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) ODBLHEXUDAPZAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00011 C10H15N4O14P3 0.64022599 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20) HAEJPQIATWHALX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00012 C15H22N2O18P2 0.64434604 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26) HDYANYHVCAPMJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00013 C10H16N5O14P3 0.64451146 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18) XKMLYUALXHKNFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00014 C3H7O7P 0.64475805 C(C(C(=O)O)O)OP(=O)(O)O InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) OSJPPGNTCRNQQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00015 C3H7O7P 0.64483174 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00016 C9H15N3O11P2 0.64602319 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18) ZWIADYZPOWUWEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00017 C6H8O6 0.64638887 C(C(CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KQTIIICEAUMSDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00018 C9H14N2O12P2 0.65724485 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18) XCCTYIAWTASOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00019 C2H5O5P 0.65740303 C(C(=O)O)P(=O)(O)O InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) XUYJLQHKOGNDPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0402_00020 C9H15N3O10P2 0.65844972 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17) FTDHDKPUHBLBTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organic oxoanionic compounds (CHEMONTID:0000463) Organic pyrophosphates (CHEMONTID:0001804) NA (NA) NA (NA) +0402_00021 C6H10O8 0.66257407 C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) DSLZVSRJTYRBFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00022 C4H4O4 0.66311134 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00023 C3H4O4 0.66382489 C(C(=O)O)C(=O)O InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00024 C5H8O5 0.66390684 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00025 C10H14N4O11P2 0.66609131 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20) JPXZQMKKFWMMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00026 C3H8NO6P 0.66645562 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00027 C5H6O4 0.66651849 C=C(CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) LVHBHZANLOWSRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0402_00028 C6H13O9P 0.66725499 C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14) GSXOAOHZAIYLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00029 C6H10O8 0.66756559 C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) DSLZVSRJTYRBFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00030 C5H11O8P 0.66764257 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11) KTVPXOYAKDPRHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00031 C4H6O5 0.66808014 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00032 C10H15N5O11P2 0.66903346 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18) QGWNDRXFNXRZMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00033 C5H8O5 0.66915474 CC(CC(=O)O)(C(=O)O)O InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9) XFTRTWQBIOMVPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00034 C4H6O4 0.66969017 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00035 C4H6O6 0.66979447 C(C(C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) FEWJPZIEWOKRBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00036 C6H13O9P 0.67028986 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00037 C6H13O9P 0.67033011 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0402_00038 C3H9O6P 0.67064864 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0402_00039 C5H8O4 0.67181534 C(CC(=O)O)CC(=O)O InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00040 C3H4O3S 0.67196464 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0402_00041 C4H6O4 0.67256266 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00042 C4H6O6 0.67259482 C(C(C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) FEWJPZIEWOKRBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00043 C6H8O5 0.67274394 C(CC(=O)C(=O)O)CC(=O)O InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) FGSBNBBHOZHUBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0402_00044 C7H11NO5 0.67301589 CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) RFMMMVDNIPUKGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00045 C5H8O4 0.67339686 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00046 C3H2O5 0.67427596 C(=O)(C(=O)O)C(=O)O InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8) XEEVLJKYYUVTRC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00047 C5H6O5 0.67437576 C(CC(=O)O)C(=O)C(=O)O InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) KPGXRSRHYNQIFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0402_00048 C9H14N3O8P 0.67651626 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) UOOOPKANIPLQPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0402_00049 C10H13N4O9P 0.67652019 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18) DCTLYFZHFGENCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00050 C6H10O5 0.67709477 CC(CC(=O)O)(CC(=O)O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) NPOAOTPXWNWTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00051 C6H10O5 0.67743927 C(CC(C(=O)O)O)CC(=O)O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00052 C5H8O5 0.67769884 C(CC(=O)O)C(C(=O)O)O InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10) HWXBTNAVRSUOJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0402_00053 C6H9NO5 0.67800796 CC(=O)NC(CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12) OTCCIMWXFLJLIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00054 C4H6O5 0.68051141 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00055 C6H10O4 0.68122641 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00056 C4H4O4 0.68166295 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00057 C6H14NO8P 0.68180526 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00058 C5H8O4 0.68293907 CCC(C(=O)O)C(=O)O InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0402_00059 C5H6O4 0.68405707 CC(=CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9) HNEGQIOMVPPMNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00060 C6H10O4 0.68460221 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00061 C6H10O4 0.69087466 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00062 C9H13N2O9P 0.69422886 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18) DJJCXFVJDGTHFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0402_00063 C10H16N5O13P3 0.69546187 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20) ZKHQWZAMYRWXGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00064 C10H16N5O13P3 0.69564846 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17) HAAZLUGHYHWQIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0402_00065 C15H24N2O17P2 0.69625809 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00066 C7H5NO4 0.69698236 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00067 C3H7NO5S 0.69726681 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00068 C6H8O4 0.69786016 CC(=CC(=O)O)CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) WKRBKYFIJPGYQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00069 C3H4O3 0.69870144 CC(=O)C(=O)O InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) LCTONWCANYUPML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0402_00070 C3H7NO4S 0.70002382 C(C(C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8) ADVPTQAUNPRNPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00071 C9H14N3O7P 0.70148969 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17) NCMVOABPESMRCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00072 C3H5NO4 0.70288412 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00073 C5H9N3O4 0.70453531 C(C(C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8) VVHOUVWJCQOYGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00074 C7H12O4 0.70512351 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00075 C2H8NO4P 0.70615054 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0402_00076 C9H15N4O8P 0.70666782 C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19) NOTGFIUVDGNKRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0402_00077 C2H8NO3P 0.70674782 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0402_00078 C5H9NO4 0.70687674 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00079 C6H11NO4 0.70710052 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00080 C4H7NO4 0.70791862 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00081 C7H12O4 0.70915407 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00082 C15H24N2O17P2 0.70966959 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00083 C6H11NO4 0.70968066 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00084 C15H24N2O17P2 0.71001705 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00085 C4H8N4O4 0.71162081 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00086 C7H6O5 0.71195194 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0402_00087 C6H10O7 0.71274146 C1(C(C(OC(C1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11) AEMOLEFTQBMNLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00088 C10H13N4O8P 0.71615217 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00089 C17H27N3O17P2 0.71707072 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28) LFTYTUAZOPRMMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00090 C7H10O5 0.71737469 C1C(C(C(C=C1C(=O)O)O)O)O InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12) JXOHGGNKMLTUBP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00091 C6H12O7 0.71892462 C(C(C(C(C(C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13) RGHNJXZEOKUKBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00092 C16H25N5O16P2 0.71947749 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28) MVMSCBBUIHUTGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00093 C6H10O7 0.72053251 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00094 C17H27N3O17P2 0.72168623 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28) LFTYTUAZOPRMMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00095 C5H9NO4S 0.72248364 C(C(C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) GBFLZEXEOZUWRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00096 C8H6O4 0.72311771 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0402_00097 C6H11NO4 0.72317617 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00098 C6H8O6 0.7236814 C(C(C1C(=C(C(=O)O1)O)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2 CIWBSHSKHKDKBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0402_00099 C5H4N2O4 0.72409499 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0402_00100 C10H14N5O8P 0.72523174 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18) RQFCJASXJCIDSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00101 C3H5NO3 0.72531171 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00102 C3H6O4 0.72570111 C(C(C(=O)O)O)O InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7) RBNPOMFGQQGHHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00103 C7H14N2O4S 0.72843052 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00104 C6H13NO8S 0.72856809 C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13) MTDHILKWIRSIHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide sulfates (CHEMONTID:0003306) +0402_00105 C7H12O6 0.72900387 C1C(C(C(CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) AAWZDTNXLSGCEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00106 C8H8O5 0.72980406 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00107 C7H6O6S 0.73051842 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) YCPXWRQRBFJBPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Sulfobenzoic acids (CHEMONTID:0000034) 3-sulfobenzoic acids (CHEMONTID:0002761) +0402_00108 C10H15N5O10P2 0.73087374 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20) XTWYTFMLZFPYCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00109 C7H12O5 0.73144847 CC(C)C(CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) BITYXLXUCSKTJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00110 C10H15N5O10P2 0.73171704 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17) CIKGWCTVFSRMJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0402_00111 C14H26N4O11P2 0.73177934 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25) RZZPDXZPRHQOCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00112 C10H16N5O12P3 0.73582637 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19) SUYVUBYJARFZHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0402_00113 C7H8O5 0.73606761 C1C(C(C(=O)C=C1C(=O)O)O)O InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12) SLWWJZMPHJJOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0402_00114 C4H8N2O3 0.7367589 C(CNC(=O)N)C(=O)O InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) JSJWCHRYRHKBBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0402_00115 C7H14N2O4 0.73704486 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00116 C4H8N2O3 0.73811201 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00117 C3H6O3 0.73991277 CC(C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00118 C11H19NO9 0.74010035 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0402_00119 C3H7NO2S 0.74062784 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00120 C8H13NO6 0.74246605 C(COC(=O)CCC(=O)O)C(C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14) GNISQJGXJIDKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00121 C4H8O4 0.74469894 C(CO)C(C(=O)O)O InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8) UFYGCFHQAXXBCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0402_00122 C3H6O3 0.74775942 CC(C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00123 C6H13NO6 0.74975179 C(C(C(C(C(C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13) UFYKDFXCZBTLOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00124 C4H8N2O3 0.75000692 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00125 C5H12N2O3S 0.75300502 CS(=N)(=O)CCC(C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9) SXTAYKAGBXMACB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and 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InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) JJIHLJJYMXLCOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00129 C6H10N2O4 0.76006526 CC(=O)NC(CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12) HXFOXFJUNFFYMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00130 C3H7NO3 0.76085216 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic 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(CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00140 C5H9NO3 0.77088622 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00141 C7H12O3 0.77642984 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0402_00142 C3H7NO2 0.77778667 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00143 C4H7NO2 0.77783079 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00144 C6H14N2O3 0.77966641 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00145 C4H7NO3 0.78003091 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00146 C8H20NO6P 0.78090177 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 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amino acids and derivatives (CHEMONTID:0000060) +0402_00149 C6H12O6 0.78288231 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00150 C5H12N2O2 0.78358687 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00151 C5H9NO3 0.78424664 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) 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lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0402_00154 C5H12N2O2 0.78753804 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00155 C6H12O6 0.78836808 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00156 C6H12O6 0.78883476 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00157 C5H7NO3 0.79005826 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00158 C6H14O6 0.79393002 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00159 C6H14N2O2 0.79432461 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00160 C7H7NO3 0.79562894 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00161 C6H13N3O3 0.79597067 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00162 C6H12O6 0.79656664 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00163 C7H6O4 0.79669012 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00164 C4H8O3 0.79775357 CC(CO)C(=O)O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) DBXBTMSZEOQQDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00165 C5H10O5 0.79777564 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00166 C4H6N4O3 0.79901004 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0402_00167 C6H14O6 0.80024919 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00168 C3H7N3O2 0.80138311 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00169 C6H13NO5 0.80231774 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00170 C6H12O6 0.80256557 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00171 C7H15NO2 0.80271016 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0402_00172 C5H12O5 0.80314176 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00173 C4H8O3 0.80397707 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00174 C4H9NO2 0.80552464 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00175 C5H12O5 0.80783216 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00176 C4H9NO2 0.80806639 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00177 C4H9NO2 0.80813931 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0402_00178 C6H12O6 0.80871304 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00179 C5H7NO3 0.80899677 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00180 C5H11NO2 0.80931427 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00181 C5H12O5 0.80986447 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00182 C5H10O5 0.80988347 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00183 C5H4N2O4 0.81065292 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0402_00184 C7H7NO3 0.81197856 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00185 C5H11NO2 0.81223356 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0402_00186 C9H13N2O8P 0.81333284 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17) JSRLJPSBLDHEIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00187 C6H12O6 0.81569634 C(C(C(C(C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2 BJHIKXHVCXFQLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00188 C5H6N2O2 0.81652406 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0402_00189 C8H9NO3 0.817778 C1=CC(=CC=C1C(C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12) LJCWONGJFPCTTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00190 C12H22O11 0.81784319 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00191 C6H5NO3 0.81891042 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00192 C6H12O6 0.82050089 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00193 C4H9NO2 0.82149127 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00194 C6H10O6 0.82231571 C(C(C1C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2 SXZYCXMUPBBULW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00195 C8H8O4 0.82272947 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00196 C5H10O5 0.82277386 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00197 C4H10O4 0.82332537 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00198 C4H10O4 0.82344106 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00199 C4H9NO2 0.82423575 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00200 C6H12O6 0.82446234 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00201 C8H15NO6 0.82548797 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00202 C8H14O4 0.82623569 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00203 C12H22O11 0.82822304 C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2 RULSWEULPANCDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0402_00204 C5H4N4O3 0.82843722 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00205 C12H22O11 0.83108457 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 DLRVVLDZNNYCBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00206 C7H6O4 0.83185141 C1=C(C=C(C=C1O)O)C(=O)O InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) UYEMGAFJOZZIFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00207 C7H6O5 0.83234076 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00208 C7H12N2O4 0.83520765 CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13) KSMRODHGGIIXDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00209 C9H20N2O2 0.83738304 C[N+](C)(C)CCCCC(C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3 MXNRLFUSFKVQSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00210 C5H10O5 0.8378065 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00211 C5H10O5 0.83904641 C(C(C(C(C=O)O)O)O)O InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2 PYMYPHUHKUWMLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00212 C9H10O5 0.84210622 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00213 C4H8O3 0.84211317 CCC(C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7) AFENDNXGAFYKQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00214 C8H15NO2 0.84324744 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0402_00215 C6H14N4O2 0.84507827 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00216 C19H19N7O6 0.84699351 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30) OVBPIULPVIDEAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0402_00217 C12H22O11 0.84805439 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00218 C8H8O4 0.84821394 C1=CC(=CC(=C1)O)C(C(=O)O)O InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) OLSDAJRAVOVKLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0402_00219 C7H7NO2 0.84845797 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0402_00220 C9H10O7S 0.84849729 COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) IACOAKYXFIWAQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0402_00221 C6H9N3O2 0.84913381 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00222 C9H17NO4 0.84944009 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0402_00223 C5H9NO2 0.85117659 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00224 C18H32O16 0.85128394 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2 FYGDTMLNYKFZSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00225 C5H9NO2 0.85153192 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00226 C7H7NO2 0.85235026 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0402_00227 C6H10O5 0.85300785 C1C2C(C(C(C(O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2 TWNIBLMWSKIRAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0402_00228 C7H15N3O3 0.85319514 C(CCNC(=O)N)CC(C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13) XIGSAGMEBXLVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00229 C21H36N7O16P3S 0.85325872 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35) RGJOEKWQDUBAIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0402_00230 C11H19NO8 0.85409726 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17) MNLRQHMNZILYPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00231 C5H6N2O3 0.85465054 C1=C(C(=O)NC(=O)N1)CO InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) JDBGXEHEIRGOBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00232 C5H9NO3 0.85537799 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00233 C12H22O11 0.85647404 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00234 C5H10O3 0.85682692 CCC(CO)C(=O)O InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZMZQVAUJTDKQGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00235 C5H10O3 0.85690129 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00236 C6H12O6 0.85721202 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00237 C8H12N4O5 0.8579996 C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16) IWUCXVSUMQZMFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Triazole ribonucleosides and ribonucleotides (CHEMONTID:0002342) NA (NA) NA (NA) NA (NA) +0402_00238 C10H14N5O7P 0.85823987 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00239 C12H22O11 0.85853992 C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2 JCQLYHFGKNRPGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00240 C4H9N3O2 0.85973084 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00241 C4H7N3O 0.86108659 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00242 C6H6O6 0.86210845 C(C(C1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2 SBJKKFFYIZUCET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00243 C9H10O5 0.86250399 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00244 C6H12O5 0.86473577 C1C(C(C(C(O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2 MPCAJMNYNOGXPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00245 C10H17NO5 0.86515271 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00246 C2H6O4S 0.86635424 C(CS(=O)(=O)O)O InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) SUMDYPCJJOFFON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0402_00247 C6H5NO2 0.86709511 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00248 C4H6O2 0.86867382 CC=CC(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) LDHQCZJRKDOVOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0402_00249 C8H8O4 0.86920939 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00250 C5H8O3 0.86959667 CC(=O)CCC(=O)O InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) JOOXCMJARBKPKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0402_00251 C6H6O4 0.87004416 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0402_00252 C6H13NO4 0.87398087 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00253 C5H9NO4 0.87618222 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00254 C8H15NO6 0.87746504 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00255 C6H8O6 0.88403415 C(=O)C(C1C(C(C(=O)O1)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H UYUXSRADSPPKRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00256 C7H6O3 0.88568882 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00257 C5H4O3 0.88637567 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0402_00258 C12H22O11 0.89156797 C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2 PVXPPJIGRGXGCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00259 C7H6O3 0.89198549 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00260 C8H15NO6 0.8933413 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00261 C9H14N4O3 0.89966584 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0402_00262 C21H29N7O14P2 0.90076852 C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25) BOPGDPNILDQYTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0402_00263 C6H10O6 0.90558202 C(C1C(C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2 PHOQVHQSTUBQQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00264 C10H15N2O8P 0.90764649 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18) GYOZYWVXFNDGLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00265 C5H11N3O2 0.91004834 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00266 C8H16N2O3 0.91577722 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00267 C16H25N5O15P2 0.91748814 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19) WFPZSXYXPSUOPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00268 C5H9NO3 0.91819749 CC(C(=O)O)NC(=O)C InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9) KTHDTJVBEPMMGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00269 C16H26N2O16P2 0.92291361 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25) YSYKRGRSMLTJNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00270 C6H11NO3 0.92301032 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00271 C10H14N5O7P 0.92312329 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0402_00272 C15H23N5O14P2 0.92374147 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18) SRNWOUGRCWSEMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00273 C7H7NO3 0.92377234 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00274 C9H12N3O7P 0.92563407 C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14) NMPZCCZXCOMSDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0402_00275 C24H42O21 0.92783986 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2 UQZIYBXSHAGNOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00276 C11H19N3O6 0.9282607 CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20) JCMUOFQHZLPHQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00277 C8H16N2O4S2 0.92877867 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00278 C4H11NO2 0.94514811 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0402_00279 C5H10N2O3S 0.94553626 C(C(C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9) ZUKPVRWZDMRIEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00280 C12H22O11 0.96242077 C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00281 C7H11N3O2 0.96900207 CN1C=NC=C1CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) JDHILDINMRGULE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00282 C5H4N4O2 0.97742257 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00283 C7H14O6 0.97949456 COC1C(C(C(C(O1)CO)O)O)O InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3 HOVAGTYPODGVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00284 C5H11NO2 0.99977758 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00285 C4H5N3O 1.0026928 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00286 C5H11NO2 1.0249727 CCCC(C(=O)O)N InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) SNDPXSYFESPGGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00287 C18H32O16 1.0476175 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 MUPFEKGTMRGPLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00288 C9H11NO4 1.0950115 C1=CC(=C(C=C1CC(C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) WTDRDQBEARUVNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00289 C8H8O4 1.1007881 C1=CC(=C(C=C1CC(=O)O)O)O InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) CFFZDZCDUFSOFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00290 C9H10N2O5 1.1023814 C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14) FBTSQILOGYXGMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00291 C10H12N4O6 1.1094402 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00292 C5H11NO2S 1.1173345 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00293 C6H11NO2 1.1414785 C1CCNC(C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) HXEACLLIILLPRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00294 C5H9NO3S 1.1476754 CC(=O)NC(CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9) PWKSKIMOESPYIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00295 C4H4N2O2 1.187856 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00296 C6H5NO2 1.1961933 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00297 C5H10O3 1.1975454 CC(C)(CC(=O)O)O InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) AXFYFNCPONWUHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00298 C9H8O4 1.2104656 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0402_00299 C7H15NO3 1.2345824 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0402_00300 C6H5NO2 1.2504018 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00301 C21H27N6O15P2 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compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00333 C8H8O2 1.7492864 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00334 C6H11NO3S 1.7542168 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00335 C7H7NO2 1.7578048 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0402_00336 C6H13NO2 1.7674095 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00337 C9H14N4O5 1.7693819 C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17) RTRQQBHATOEIAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0402_00338 C8H9NO3 1.7725855 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0402_00339 C6H13NO2 1.7728346 CCCCC(C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) LRQKBLKVPFOOQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00340 C4H5NO4S 1.7763214 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0402_00341 C8H8O3 1.7902254 C1=CC(=CC(=C1)O)CC(=O)O InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FVMDYYGIDFPZAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0402_00342 C7H8N4O3 1.8103458 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00343 C12H16O7 1.8147753 C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2 BJRNKVDFDLYUGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0402_00344 C5H4N4 1.8491388 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0402_00345 C10H12N5O7P 1.8657753 C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17) ZOOGRGPOEVQQDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0402_00346 C9H12N2O5 1.8695909 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15) MXHRCPNRJAMMIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0402_00347 C9H13NO3 1.8815669 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00348 C9H10O4 1.8937058 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00349 C11H12N2O3 1.8980941 C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) LDCYZAJDBXYCGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0402_00350 C10H12N4O5 1.9021141 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00351 C9H9NO4 1.9072977 C1=CC(=CC(=C1)O)C(=O)NCC(=O)O InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) XDOFWFNMYJRHEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00352 C7H8N4O3 1.9158856 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00353 C6H6O3 1.9264686 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0402_00354 C5H8N2O2 1.9373838 CC1CNC(=O)NC1=O InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) NBAKTGXDIBVZOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0402_00355 C5H6N2O2 1.9406853 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0402_00356 C8H11NO3 1.9423184 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0402_00357 C8H17NO2 1.9532445 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00358 C6H6O2 1.9541129 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0402_00359 C9H13NO2 1.9553085 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00360 C6H12O3 1.9664525 CCC(C)C(C(=O)O)O InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) RILPIWOPNGRASR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00361 C10H13N5O5 1.9794546 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00362 C5H5N5 1.9901789 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0402_00363 C6H12O3 2.0153468 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00364 C9H9NO4 2.0155266 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00365 C8H8O4 2.0381317 CC1=CC(=O)C(C(=O)O1)C(=O)C InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 PGRHXDWITVMQBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) Dihydropyranones (CHEMONTID:0001211) NA (NA) +0402_00366 C6H12O3 2.04339 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00367 C7H13NO3S 2.0739553 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00368 C10H7NO2 2.0941975 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00369 C10H12N5O6P 2.1066954 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0402_00370 C6H6N2O 2.1389566 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0402_00371 C7H7NO3 2.1509912 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00372 C7H11NO3 2.1642575 CC=C(C)C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10) WRUSVQOKJIDBLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00373 C7H13NO3 2.165685 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00374 C15H16O9 2.1662297 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0402_00375 C9H10O4 2.1843825 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0402_00376 C8H8O2 2.2061308 CC1=CC=CC=C1C(=O)O InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) ZWLPBLYKEWSWPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0402_00377 C10H12N2O3 2.2131353 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00378 C8H11NO 2.2161874 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00379 C9H10O3 2.2431691 C1=CC(=CC(=C1)O)CCC(=O)O InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) QVWAEZJXDYOKEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00380 C8H6O3 2.2569152 C1=CC=C(C=C1)C(=O)C(=O)O InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) FAQJJMHZNSSFSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0402_00381 C6H8O2 2.284976 CC=CC=CC(=O)O InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8) WSWCOQWTEOXDQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00382 C8H10N4O3 2.2860187 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00383 C7H5NO3S 2.2981044 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0402_00384 C10H12N5O6P 2.3166316 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0402_00385 C10H14N2O5 2.3440535 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0402_00386 C10H12N2O 2.3515941 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0402_00387 C2H4OS 2.3543119 CC(=O)S InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carbothioic S-acids (CHEMONTID:0003107) NA (NA) NA (NA) NA (NA) +0402_00388 C16H22N6O4 2.3561036 C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25) XNSAINXGIQZQOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00389 C7H6O2 2.363746 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0402_00390 C9H11NO2 2.3731353 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00391 C6H5NO3 2.4092624 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0402_00392 C9H9NO3 2.4175783 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00393 C9H13NO 2.4321401 CNCCC1=CC=C(C=C1)O InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00394 C8H8O3 2.4613677 C1=CC=C(C(=C1)CC(=O)O)O InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CCVYRRGZDBSHFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0402_00395 C6H10O3 2.4765021 CC(C)CC(=O)C(=O)O InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0402_00396 C10H13N5O4 2.476592 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00397 C9H9NO4 2.4824201 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ONJSZLXSECQROL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00398 C10H9NO2 2.4932271 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00399 C9H10O3 2.4956837 C1=CC(=CC=C1CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) NMHMNPHRMNGLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00400 C10H9NO2 2.5125101 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00401 C8H8O3 2.5141939 COC1=C(C=CC(=C1)C=O)O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00402 C7H8N2O 2.5410031 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0402_00403 C8H9NO4 2.5436436 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00404 C10H7NO3 2.5692388 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00405 C9H13NO2 2.5731336 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00406 C8H9NO2 2.5765594 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00407 C9H10N2O4 2.5783919 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13) GTVVZTAFGPQSPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00408 C8H7NO4S 2.586181 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) BXFFHSIDQOFMLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) NA (NA) NA (NA) +0402_00409 C11H11NO3 2.5894572 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00410 C11H12N2O2 2.6629462 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00411 C10H12O4 2.664316 COC1=C(C=C(C=C1)CC(=O)O)OC InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) WUAXWQRULBZETB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0402_00412 C10H18N2O3 2.668773 CC1C(NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) AUTOLBMXDDTRRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0402_00413 C7H8O3S 2.6696273 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0402_00414 C7H8N4O2 2.6794099 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00415 C5H10N2O3 2.6798728 CC(C(=O)NCC(=O)[O-])[NH3+] InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9) CXISPYVYMQWFLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00416 C11H12N2O2 2.6850783 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00417 C13H16N2O4 2.6867847 C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19) JFLIEFSWGNOPJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00418 C10H11NO3 2.6879478 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00419 C11H11NO3 2.7183304 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00420 C8H15NO3 2.7340651 CC(C)CC(C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12) WXNXCEHXYPACJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00421 C10H11NO3 2.7358929 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00422 C7H8N4O2 2.7545665 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00423 C13H16O7 2.7705986 CC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18) JPAUCQAJHLSMQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0402_00424 C9H10O2 2.7758727 CC(=O)OCC1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 QUKGYYKBILRGFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyloxycarbonyls (CHEMONTID:0001097) NA (NA) NA (NA) +0402_00425 C15H14O6 2.8175248 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0402_00426 C8H8O4 2.8445774 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00427 C13H18O7 2.8894964 C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 NGFMICBWJRZIBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0402_00428 C7H6O4 2.8979808 C1=CC(=C(C(=C1)O)C(=O)O)O InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) AKEUNCKRJATALU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00429 C7H8O4S 2.9006896 CC1=CC=C(C=C1)OS(=O)(=O)O InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) WGNAKZGUSRVWRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0402_00430 C7H8O2 2.9268666 C1=CC(=CC(=C1)O)CO InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 OKVJCVWFVRATSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0402_00431 C9H10O3 2.9328406 C1=CC=C(C(=C1)CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00432 C6H6O2 2.933149 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00433 C26H42N7O17P3S 2.9499589 CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) BXIPALATIYNHJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0402_00434 C21H31N3O5 2.9562485 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00435 C8H7NO 2.9779068 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0402_00436 C11H13NO3 2.9873136 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00437 C11H9NO3 2.9982736 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00438 C13H14N2O3 3.0142467 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00439 C11H15N5O4 3.0184475 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00440 C8H9NO 3.0378842 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0402_00441 C13H14N2O3 3.0529196 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00442 C8H8O3 3.0535651 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00443 C8H8O3 3.0583532 CC(=O)OC1=CC=CC(=C1)O InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3 ZZPKZRHERLGEKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0402_00444 C6H12O2 3.0600355 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00445 C8H15N7O2S3 3.0672954 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0402_00446 C10H7NO2 3.0684201 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00447 C8H11NO 3.0737389 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0402_00448 C12H14N2O2 3.0895318 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0402_00449 C7H7NO2 3.1242349 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0402_00450 C11H11NO2 3.1278963 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00451 C18H16O8 3.1404403 C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) DOUMFZQKYFQNTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0402_00452 C9H8O2 3.170678 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0402_00453 C13H14N2O3 3.242944 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00454 C9H8O2 3.2433658 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0402_00455 C15H14O6 3.2753522 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0402_00456 C6H6N4S 3.2836359 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0402_00457 C8H15NO3 3.2929056 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00458 C15H10O8 3.305145 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0402_00459 C11H13NO3 3.3164273 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00460 C13H21NO3 3.3802737 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0402_00461 C8H8O3 3.4384072 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00462 C7H11NO2 3.4442896 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0402_00463 C11H13N3O 3.4644049 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) JLSKPBDKNIXMBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00464 C11H11NO3 3.4890461 C1=CC=C(C=C1)C=CC(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15) YAADMLWHGMUGQL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00465 C21H24O10 3.4999235 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2 IOUVKUPGCMBWBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0402_00466 C11H15N5O3S 3.506944 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0402_00467 C8H8O3 3.5359068 CC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00468 C7H6O2 3.5493326 C1=CC(=CC(=C1)O)C=O InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H IAVREABSGIHHMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0402_00469 C14H22N2O3 3.5666093 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0402_00470 C17H20N4O6 3.6104334 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0402_00471 C10H10N2O 3.625497 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00472 C10H16N6S 3.6312913 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0402_00473 C36H38N4O8 3.6352878 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0402_00474 C11H14N2O 3.6406063 COC1=CC2=C(C=C1)NC=C2CCN InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 JTEJPPKMYBDEMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00475 C12H13NO2 3.659862 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00476 C14H18N2O5 3.6659742 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0402_00477 C10H12N2 3.6738232 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00478 C16H19N3O4S 3.7229239 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00479 C10H12O2 3.7409722 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0402_00480 C8H9NO 3.7875753 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00481 C13H21N3O 3.8069374 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0402_00482 C11H14N2 3.839554 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00483 C12H21N5O2S2 3.8553705 CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3 SGXXNSQHWDMGGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0402_00484 C10H12O2 3.8565462 C1=CC=C(C=C1)CCCC(=O)O InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00485 C7H8O2 3.8678033 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00486 C10H15NO 3.8911779 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00487 C8H14O2S2 3.9535408 C1CSSC1CCCCC(=O)O InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10) AGBQKNBQESQNJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoic acids and derivatives (CHEMONTID:0001116) NA (NA) NA (NA) +0402_00488 C10H20O3 3.9601638 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00489 C11H17NO3 3.9859572 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0402_00490 C7H8O2 4.0049452 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00491 C7H14O2 4.0622816 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00492 C8H16O3 4.1151412 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00493 C9H10O3 4.1434716 COC(=O)CC1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 XGDZEDRBLVIUMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00494 C9H10O4 4.1818945 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00495 C9H7NO 4.1872856 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0402_00496 C13H16N2O2 4.1925943 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00497 C9H7NO 4.192683 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0402_00498 C8H10O3 4.224744 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00499 C8H16O2 4.2268704 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00500 C14H12O3 4.2330094 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0402_00501 C13H22N4O3S 4.2796945 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0402_00502 C15H23N3O4S 4.2875774 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0402_00503 C11H8O3 4.3022823 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) SJJCQDRGABAVBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalenecarboxylic acids and derivatives (CHEMONTID:0001871) Naphthalenecarboxylic acids (CHEMONTID:0002421) NA (NA) +0402_00504 C7H7NO3 4.3315405 CC1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 SYDNSSSQVSOXTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0402_00505 C10H11NO 4.3569802 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00506 C11H14O2 4.3698596 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00507 C12H18N2O3S 4.3733949 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0402_00508 C10H9NO 4.3952052 C1=CC=C2C(=C1)C(=CN2)CC=O InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 WHOOUMGHGSPMGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00509 C24H29N5O3 4.4822954 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00510 C10H8N2 4.5288462 C1=CC=C2C(=C1)C(=CN2)CC#N InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 DMCPFOBLJMLSNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00511 C16H29N3O6S 4.568014 CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25) HXJDWCWJDCOHDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00512 C9H9NO 4.5921515 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0402_00513 C9H11NO2 4.6086954 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0402_00514 C16H14O3 4.6109169 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0402_00515 C8H16O2 4.6737053 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00516 C10H19NO3 4.6745021 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00517 C8H16O2 4.7403691 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00518 C8H15NOS2 4.7522704 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0402_00519 C18H28N2O4 4.8209239 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00520 C8H7N 4.8456521 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0402_00521 C12H24O3 4.8585126 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00522 C10H13N5 4.9069191 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0402_00523 C9H10N2 4.9342862 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0402_00524 C24H40O5 4.9903245 CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) BHQCQFFYRZLCQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0402_00525 C13H16N2O2 5.0129609 CCOC(=O)C(CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3 DABYEOZXRSTEGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00526 C11H11NO2 5.014158 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00527 C21H28O5 5.0504752 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0402_00528 C15H29NO4 5.1039365 CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3 CXTATJFJDMJMIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0402_00529 C16H13NO3S 5.1243929 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) FWEOQOXTVHGIFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 1-naphthalene sulfonates (CHEMONTID:0003600) +0402_00530 C21H30O5 5.2175293 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0402_00531 C10H12O3 5.26865 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0402_00532 C13H18O2 5.2746517 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00533 C25H28N6O 5.3212962 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0402_00534 C10H20O2 5.3347324 CCCCC(CC)CCC(=O)O InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) PWKJMPFEQOHBAC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00535 C16H28N2O4 5.3483073 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) VSZGPKBBMSAYNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00536 C12H13NO2 5.3801029 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) diff --git a/processed_data/0402/0402_rtdata_isomeric_success.tsv b/processed_data/0402/0402_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..e88210705 --- /dev/null +++ b/processed_data/0402/0402_rtdata_isomeric_success.tsv @@ -0,0 +1,537 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0402_00001 C6H18O24P6 0.58828602 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) IMQLKJBTEOYOSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00002 C10H15N5O10P2 0.62080789 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 WHTCPDAXWFLDIH-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0402_00003 C9H16N3O14P3 0.62368644 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 PCDQPRRSZKQHHS-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00004 C9H15N2O15P3 0.63079769 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 PGAVKCOVUIYSFO-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0402_00005 C6H13O10P 0.63239004 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 BIRSGZKFKXLSJQ-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0402_00006 C6H8O7 0.63264809 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00007 C6H6O6 0.63454287 C(/C(=C\C(=O)O)/C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ GTZCVFVGUGFEME-HNQUOIGGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00008 C3H5O6P 0.63774059 C=C(C(=O)O)OP(=O)(O)O InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) DTBNBXWJWCWCIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) NA (NA) NA (NA) +0402_00009 C9H15N2O14P3 0.63834754 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 AHCYMLUZIRLXAA-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0402_00010 C6H8O7 0.63965296 C(C(C(C(=O)O)O)C(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) ODBLHEXUDAPZAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00011 C10H15N4O14P3 0.64022599 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 HAEJPQIATWHALX-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00012 C15H22N2O18P2 0.64434604 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 HDYANYHVCAPMJV-LXQIFKJMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00013 C10H16N5O14P3 0.64451146 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 XKMLYUALXHKNFT-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00014 C3H7O7P 0.64475805 C(C(C(=O)O)O)OP(=O)(O)O InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) OSJPPGNTCRNQQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00015 C3H7O7P 0.64483174 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00016 C9H15N3O11P2 0.64602319 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 ZWIADYZPOWUWEW-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00017 C6H8O6 0.64638887 C(C(CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KQTIIICEAUMSDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0402_00018 C9H14N2O12P2 0.65724485 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 XCCTYIAWTASOJW-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00019 C2H5O5P 0.65740303 C(C(=O)O)P(=O)(O)O InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) XUYJLQHKOGNDPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0402_00020 C9H15N3O10P2 0.65844972 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 FTDHDKPUHBLBTL-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organic oxoanionic compounds (CHEMONTID:0000463) Organic pyrophosphates (CHEMONTID:0001804) NA (NA) NA (NA) +0402_00021 C6H10O8 0.66257407 [C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- DSLZVSRJTYRBFB-DUHBMQHGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00022 C4H4O4 0.66311134 C(=C/C(=O)O)\C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ VZCYOOQTPOCHFL-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00023 C3H4O4 0.66382489 C(C(=O)O)C(=O)O InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00024 C5H8O5 0.66390684 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00025 C10H14N4O11P2 0.66609131 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 JPXZQMKKFWMMGK-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00026 C3H8NO6P 0.66645562 C([C@@H](C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 BZQFBWGGLXLEPQ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00027 C5H6O4 0.66651849 C=C(CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) LVHBHZANLOWSRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0402_00028 C6H13O9P 0.66725499 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 GSXOAOHZAIYLCY-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00029 C6H10O8 0.66756559 [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 DSLZVSRJTYRBFB-LLEIAEIESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00030 C5H11O8P 0.66764257 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 KTVPXOYAKDPRHY-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00031 C4H6O5 0.66808014 C([C@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 BJEPYKJPYRNKOW-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00032 C10H15N5O11P2 0.66903346 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 QGWNDRXFNXRZMB-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00033 C5H8O5 0.66915474 CC(CC(=O)O)(C(=O)O)O InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9) XFTRTWQBIOMVPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00034 C4H6O4 0.66969017 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00035 C4H6O6 0.66979447 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 FEWJPZIEWOKRBE-JCYAYHJZSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00036 C6H13O9P 0.67028986 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00037 C6H13O9P 0.67033011 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-FPRJBGLDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0402_00038 C3H9O6P 0.67064864 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0402_00039 C5H8O4 0.67181534 C(CC(=O)O)CC(=O)O InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00040 C3H4O3S 0.67196464 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0402_00041 C4H6O4 0.67256266 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00042 C4H6O6 0.67259482 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 FEWJPZIEWOKRBE-LWMBPPNESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00043 C6H8O5 0.67274394 C(CC(=O)C(=O)O)CC(=O)O InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) FGSBNBBHOZHUBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0402_00044 C7H11NO5 0.67301589 CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) RFMMMVDNIPUKGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00045 C5H8O4 0.67339686 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00046 C3H2O5 0.67427596 C(=O)(C(=O)O)C(=O)O InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8) XEEVLJKYYUVTRC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00047 C5H6O5 0.67437576 C(CC(=O)O)C(=O)C(=O)O InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) KPGXRSRHYNQIFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0402_00048 C9H14N3O8P 0.67651626 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 UOOOPKANIPLQPU-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00049 C10H13N4O9P 0.67652019 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 DCTLYFZHFGENCW-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00050 C6H10O5 0.67709477 CC(CC(=O)O)(CC(=O)O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) NPOAOTPXWNWTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00051 C6H10O5 0.67743927 C(CC(C(=O)O)O)CC(=O)O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00052 C5H8O5 0.67769884 C(CC(=O)O)[C@@H](C(=O)O)O InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1 HWXBTNAVRSUOJR-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0402_00053 C6H9NO5 0.67800796 CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00054 C4H6O5 0.68051141 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00055 C6H10O4 0.68122641 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00056 C4H4O4 0.68166295 C(=C\C(=O)O)\C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- VZCYOOQTPOCHFL-UPHRSURJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0402_00057 C6H14NO8P 0.68180526 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1 XHMJOUIAFHJHBW-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00058 C5H8O4 0.68293907 CCC(C(=O)O)C(=O)O InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0402_00059 C5H6O4 0.68405707 C/C(=C/C(=O)O)/C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2- HNEGQIOMVPPMNR-IHWYPQMZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00060 C6H10O4 0.68460221 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00061 C6H10O4 0.69087466 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00062 C9H13N2O9P 0.69422886 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 DJJCXFVJDGTHFX-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0402_00063 C10H16N5O13P3 0.69546187 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0402_00064 C10H16N5O13P3 0.69564846 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 HAAZLUGHYHWQIW-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0402_00065 C15H24N2O17P2 0.69625809 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1 HSCJRCZFDFQWRP-ABVWGUQPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00066 C7H5NO4 0.69698236 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00067 C3H7NO5S 0.69726681 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00068 C6H8O4 0.69786016 C/C(=C\C(=O)O)/CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+ WKRBKYFIJPGYQC-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00069 C3H4O3 0.69870144 CC(=O)C(=O)O InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) LCTONWCANYUPML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0402_00070 C3H7NO4S 0.70002382 C([C@@H](C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 ADVPTQAUNPRNPO-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00071 C9H14N3O7P 0.70148969 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 NCMVOABPESMRCP-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00072 C3H5NO4 0.70288412 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00073 C5H9N3O4 0.70453531 C([C@@H](C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1 VVHOUVWJCQOYGG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00074 C7H12O4 0.70512351 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00075 C2H8NO4P 0.70615054 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0402_00076 C9H15N4O8P 0.70666782 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 NOTGFIUVDGNKRI-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0402_00077 C2H8NO3P 0.70674782 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0402_00078 C5H9NO4 0.70687674 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00079 C6H11NO4 0.70710052 C(C[C@@H](C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 OYIFNHCXNCRBQI-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00080 C4H7NO4 0.70791862 C([C@@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CKLJMWTZIZZHCS-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00081 C7H12O4 0.70915407 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00082 C15H24N2O17P2 0.70966959 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 HSCJRCZFDFQWRP-JZMIEXBBSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00083 C6H11NO4 0.70968066 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00084 C15H24N2O17P2 0.71001705 C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m0/s1 HSCJRCZFDFQWRP-LPTOLDDLSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00085 C4H8N4O4 0.71162081 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00086 C7H6O5 0.71195194 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0402_00087 C6H10O7 0.71274146 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1 AEMOLEFTQBMNLQ-WAXACMCWSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0402_00088 C10H13N4O8P 0.71615217 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00089 C17H27N3O17P2 0.71707072 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16?/m1/s1 LFTYTUAZOPRMMI-LDDHHVEYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00090 C7H10O5 0.71737469 C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 JXOHGGNKMLTUBP-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00091 C6H12O7 0.71892462 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 RGHNJXZEOKUKBD-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00092 C16H25N5O16P2 0.71947749 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1 MVMSCBBUIHUTGJ-GDJBGNAASA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00093 C6H10O7 0.72053251 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00094 C17H27N3O17P2 0.72168623 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1 LFTYTUAZOPRMMI-CFRASDGPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00095 C5H9NO4S 0.72248364 C([C@@H](C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 GBFLZEXEOZUWRN-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00096 C8H6O4 0.72311771 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0402_00097 C6H11NO4 0.72317617 CN[C@@H](CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 XLBVNMSMFQMKEY-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00098 C6H8O6 0.7236814 C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 CIWBSHSKHKDKBQ-JLAZNSOCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0402_00099 C5H4N2O4 0.72409499 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0402_00100 C10H14N5O8P 0.72523174 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00101 C3H5NO3 0.72531171 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00102 C3H6O4 0.72570111 C([C@H](C(=O)O)O)O InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1 RBNPOMFGQQGHHO-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0402_00103 C7H14N2O4S 0.72843052 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ILRYLPWNYFXEMH-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00104 C6H13NO8S 0.72856809 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 MTDHILKWIRSIHB-QZABAPFNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00105 C7H12O6 0.72900387 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 AAWZDTNXLSGCEK-LNVDRNJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0402_00106 C8H8O5 0.72980406 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00107 C7H6O6S 0.73051842 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) YCPXWRQRBFJBPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Sulfobenzoic acids (CHEMONTID:0000034) 3-sulfobenzoic acids (CHEMONTID:0002761) +0402_00108 C10H15N5O10P2 0.73087374 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 XTWYTFMLZFPYCI-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0402_00109 C7H12O5 0.73144847 CC(C)[C@@](CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 BITYXLXUCSKTJS-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00110 C10H15N5O10P2 0.73171704 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 CIKGWCTVFSRMJU-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0402_00111 C14H26N4O11P2 0.73177934 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 RZZPDXZPRHQOCG-OJAKKHQRSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0402_00112 C10H16N5O12P3 0.73582637 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 SUYVUBYJARFZHO-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0402_00113 C7H8O5 0.73606761 C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 SLWWJZMPHJJOPH-PHDIDXHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0402_00114 C4H8N2O3 0.7367589 C(CNC(=O)N)C(=O)O InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) JSJWCHRYRHKBBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0402_00115 C7H14N2O4 0.73704486 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 GMKMEZVLHJARHF-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00116 C4H8N2O3 0.73811201 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00117 C3H6O3 0.73991277 C[C@H](C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1 JVTAAEKCZFNVCJ-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00118 C11H19NO9 0.74010035 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0402_00119 C3H7NO2S 0.74062784 C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00120 C8H13NO6 0.74246605 C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1 GNISQJGXJIDKDJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00121 C4H8O4 0.74469894 C(CO)C(C(=O)O)O InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8) UFYGCFHQAXXBCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0402_00122 C3H6O3 0.74775942 C[C@@H](C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 JVTAAEKCZFNVCJ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00123 C6H13NO6 0.74975179 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1 UFYKDFXCZBTLOO-TXICZTDVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00124 C4H8N2O3 0.75000692 C([C@@H](C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 DCXYFEDJOCDNAF-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00125 C5H12N2O3S 0.75300502 CS(=N)(=O)CC[C@@H](C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1 SXTAYKAGBXMACB-DPVSGNNYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00126 C2H7NO3S 0.75348217 C(CS(=O)(=O)O)N 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0.77778667 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00143 C4H7NO2 0.77783079 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00144 C6H14N2O3 0.77966641 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00145 C4H7NO3 0.78003091 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00146 C8H20NO6P 0.78090177 C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1 SUHOQUVVVLNYQR-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules 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(CHEMONTID:0000060) +0402_00149 C6H12O6 0.78288231 [2H][C@@]1([C@]([C@@](OC([C@]1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D WQZGKKKJIJFFOK-QCQRZMBHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0402_00150 C5H12N2O2 0.78358687 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00151 C5H9NO3 0.78424664 C1[C@H](CN[C@@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 PMMYEEVYMWASQN-DMTCNVIQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00152 C5H7NO3 0.78642912 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00153 C8H20NO6P 0.78713527 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O 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and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00158 C6H14O6 0.79393002 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00159 C6H14N2O2 0.79432461 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00160 C7H7NO3 0.79562894 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00161 C6H13N3O3 0.79597067 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00162 C6H12O6 0.79656664 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00163 C7H6O4 0.79669012 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00164 C4H8O3 0.79775357 C[C@H](CO)C(=O)O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 DBXBTMSZEOQQDU-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00165 C5H10O5 0.79777564 C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1 SRBFZHDQGSBBOR-IOVATXLUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00166 C4H6N4O3 0.79901004 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0402_00167 C6H14O6 0.80024919 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00168 C3H7N3O2 0.80138311 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00169 C6H13NO5 0.80231774 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1 MSWZFWKMSRAUBD-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00170 C6H12O6 0.80256557 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 LKDRXBCSQODPBY-VRPWFDPXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00171 C7H15NO2 0.80271016 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0402_00172 C5H12O5 0.80314176 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00173 C4H8O3 0.80397707 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0402_00174 C4H9NO2 0.80552464 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00175 C5H12O5 0.80783216 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00176 C4H9NO2 0.80806639 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00177 C4H9NO2 0.80813931 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0402_00178 C6H12O6 0.80871304 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 WQZGKKKJIJFFOK-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00179 C5H7NO3 0.80899677 C1CC(=O)N[C@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 ODHCTXKNWHHXJC-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00180 C5H11NO2 0.80931427 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00181 C5H12O5 0.80986447 C([C@@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 HEBKCHPVOIAQTA-IMJSIDKUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00182 C5H10O5 0.80988347 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00183 C5H4N2O4 0.81065292 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0402_00184 C7H7NO3 0.81197856 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00185 C5H11NO2 0.81223356 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0402_00186 C9H13N2O8P 0.81333284 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 JSRLJPSBLDHEIO-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00187 C6H12O6 0.81569634 C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 BJHIKXHVCXFQLS-OTWZMJIISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00188 C5H6N2O2 0.81652406 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0402_00189 C8H9NO3 0.817778 C1=CC(=CC=C1[C@@H](C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 LJCWONGJFPCTTL-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00190 C12H22O11 0.81784319 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 GUBGYTABKSRVRQ-DCSYEGIMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00191 C6H5NO3 0.81891042 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00192 C6H12O6 0.82050089 C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1 WQZGKKKJIJFFOK-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0402_00193 C4H9NO2 0.82149127 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00194 C6H10O6 0.82231571 C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 SXZYCXMUPBBULW-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00195 C8H8O4 0.82272947 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00196 C5H10O5 0.82277386 C1[C@H]([C@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 SRBFZHDQGSBBOR-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00197 C4H10O4 0.82332537 C([C@H]([C@@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1 UNXHWFMMPAWVPI-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00198 C4H10O4 0.82344106 C([C@H]([C@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0402_00199 C4H9NO2 0.82423575 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00200 C6H12O6 0.82446234 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1 LKDRXBCSQODPBY-OEXCPVAWSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00201 C8H15NO6 0.82548797 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-FMDGEEDCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00202 C8H14O4 0.82623569 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00203 C12H22O11 0.82822304 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 RULSWEULPANCDV-PIXUTMIVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0402_00204 C5H4N4O3 0.82843722 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00205 C12H22O11 0.83108457 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1 DLRVVLDZNNYCBX-ABXHMFFYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00206 C7H6O4 0.83185141 C1=C(C=C(C=C1O)O)C(=O)O InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) UYEMGAFJOZZIFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00207 C7H6O5 0.83234076 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00208 C7H12N2O4 0.83520765 CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13) KSMRODHGGIIXDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00209 C9H20N2O2 0.83738304 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1 MXNRLFUSFKVQSK-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00210 C5H10O5 0.8378065 C1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m1/s1 SRBFZHDQGSBBOR-AGQMPKSLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00211 C5H10O5 0.83904641 C([C@H]([C@H]([C@@H](C=O)O)O)O)O InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1 PYMYPHUHKUWMLA-WDCZJNDASA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0402_00212 C9H10O5 0.84210622 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00213 C4H8O3 0.84211317 CC[C@@H](C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 AFENDNXGAFYKQO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0402_00214 C8H15NO2 0.84324744 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0402_00215 C6H14N4O2 0.84507827 C(C[C@@H](C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00216 C19H19N7O6 0.84699351 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00217 C12H22O11 0.84805439 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 GUBGYTABKSRVRQ-QRZGKKJRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00218 C8H8O4 0.84821394 C1=CC(=CC(=C1)O)C(C(=O)O)O InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) OLSDAJRAVOVKLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0402_00219 C7H7NO2 0.84845797 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0402_00220 C9H10O7S 0.84849729 COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) IACOAKYXFIWAQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0402_00221 C6H9N3O2 0.84913381 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00222 C9H17NO4 0.84944009 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0402_00223 C5H9NO2 0.85117659 C1C[C@@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00224 C18H32O16 0.85128394 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1 FYGDTMLNYKFZSV-DZOUCCHMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00225 C5H9NO2 0.85153192 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00226 C7H7NO2 0.85235026 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0402_00227 C6H10O5 0.85300785 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 TWNIBLMWSKIRAT-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0402_00228 C7H15N3O3 0.85319514 C(CCNC(=O)N)C[C@@H](C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 XIGSAGMEBXLVJJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00229 C21H36N7O16P3S 0.85325872 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 RGJOEKWQDUBAIZ-IBOSZNHHSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0402_00230 C11H19NO8 0.85409726 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 MNLRQHMNZILYPY-MKFCKLDKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00231 C5H6N2O3 0.85465054 C1=C(C(=O)NC(=O)N1)CO InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) JDBGXEHEIRGOBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00232 C5H9NO3 0.85537799 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00233 C12H22O11 0.85647404 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1 GUBGYTABKSRVRQ-QUYVBRFLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00234 C5H10O3 0.85682692 CCC(CO)C(=O)O InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZMZQVAUJTDKQGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00235 C5H10O3 0.85690129 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00236 C6H12O6 0.85721202 C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1 LKDRXBCSQODPBY-JDJSBBGDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00237 C8H12N4O5 0.8579996 C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 IWUCXVSUMQZMFG-AFCXAGJDSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Triazole ribonucleosides and ribonucleotides (CHEMONTID:0002342) NA (NA) NA (NA) NA (NA) +0402_00238 C10H14N5O7P 0.85823987 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 UDMBCSSLTHHNCD-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0402_00239 C12H22O11 0.85853992 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1 JCQLYHFGKNRPGE-FCVZTGTOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00240 C4H9N3O2 0.85973084 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00241 C4H7N3O 0.86108659 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00242 C6H6O6 0.86210845 C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 SBJKKFFYIZUCET-JLAZNSOCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00243 C9H10O5 0.86250399 COC1=C(C=CC(=C1)[C@@H](C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1 CGQCWMIAEPEHNQ-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00244 C6H12O5 0.86473577 C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 MPCAJMNYNOGXPB-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0402_00245 C10H17NO5 0.86515271 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00246 C2H6O4S 0.86635424 C(CS(=O)(=O)O)O InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) SUMDYPCJJOFFON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0402_00247 C6H5NO2 0.86709511 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00248 C4H6O2 0.86867382 C/C=C/C(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ LDHQCZJRKDOVOX-NSCUHMNNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0402_00249 C8H8O4 0.86920939 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00250 C5H8O3 0.86959667 CC(=O)CCC(=O)O InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) JOOXCMJARBKPKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0402_00251 C6H6O4 0.87004416 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0402_00252 C6H13NO4 0.87398087 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00253 C5H9NO4 0.87618222 CC(=O)OC[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 VZXPDPZARILFQX-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00254 C8H15NO6 0.87746504 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 OVRNDRQMDRJTHS-CBQIKETKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) N-acyl-alpha-hexosamines (CHEMONTID:0002276) +0402_00255 C6H8O6 0.88403415 C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1 UYUXSRADSPPKRZ-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0402_00256 C7H6O3 0.88568882 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00257 C5H4O3 0.88637567 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0402_00258 C12H22O11 0.89156797 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1 PVXPPJIGRGXGCY-TZLCEDOOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00259 C7H6O3 0.89198549 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00260 C8H15NO6 0.8933413 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-ZTVVOAFPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0402_00261 C9H14N4O3 0.89966584 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0402_00262 C21H29N7O14P2 0.90076852 C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O 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CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0402_00265 C5H11N3O2 0.91004834 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00266 C8H16N2O3 0.91577722 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00267 C16H25N5O15P2 0.91748814 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 WFPZSXYXPSUOPY-ROYWQJLOSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00268 C5H9NO3 0.91819749 C[C@@H](C(=O)O)NC(=O)C InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 KTHDTJVBEPMMGL-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00269 C16H26N2O16P2 0.92291361 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1 YSYKRGRSMLTJNL-URARBOGNSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0402_00270 C6H11NO3 0.92301032 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00271 C10H14N5O7P 0.92312329 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 LTFMZDNNPPEQNG-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0402_00272 C15H23N5O14P2 0.92374147 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 SRNWOUGRCWSEMX-ZQSHOCFMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0402_00273 C7H7NO3 0.92377234 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00274 C9H12N3O7P 0.92563407 C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 NMPZCCZXCOMSDQ-ZRTZXPPTSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0402_00275 C24H42O21 0.92783986 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 UQZIYBXSHAGNOE-XNSRJBNMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00276 C11H19N3O6 0.9282607 CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 JCMUOFQHZLPHQP-BQBZGAKWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00277 C8H16N2O4S2 0.92877867 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00278 C4H11NO2 0.94514811 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0402_00279 C5H10N2O3S 0.94553626 C([C@@H](C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1 ZUKPVRWZDMRIEO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00280 C12H22O11 0.96242077 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00281 C7H11N3O2 0.96900207 CN1C=NC=C1C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00282 C5H4N4O2 0.97742257 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00283 C7H14O6 0.97949456 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1 HOVAGTYPODGVJG-VOQCIKJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0402_00284 C5H11NO2 0.99977758 CC(C)[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00285 C4H5N3O 1.0026928 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00286 C5H11NO2 1.0249727 CCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 SNDPXSYFESPGGJ-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00287 C18H32O16 1.0476175 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1 MUPFEKGTMRGPLJ-BQCSWRFHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0402_00288 C9H11NO4 1.0950115 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00289 C8H8O4 1.1007881 C1=CC(=C(C=C1CC(=O)O)O)O InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) CFFZDZCDUFSOFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00290 C9H10N2O5 1.1023814 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 FBTSQILOGYXGMD-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00291 C10H12N4O6 1.1094402 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1 UBORTCNDUKBEOP-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00292 C5H11NO2S 1.1173345 CSCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 FFEARJCKVFRZRR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00293 C6H11NO2 1.1414785 C1CCN[C@@H](C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 HXEACLLIILLPRG-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00294 C5H9NO3S 1.1476754 CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 PWKSKIMOESPYIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00295 C4H4N2O2 1.187856 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0402_00296 C6H5NO2 1.1961933 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00297 C5H10O3 1.1975454 CC(C)(CC(=O)O)O InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) AXFYFNCPONWUHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00298 C9H8O4 1.2104656 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0402_00299 C7H15NO3 1.2345824 C[N+](C)(C)C[C@@H](CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 PHIQHXFUZVPYII-ZCFIWIBFSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0402_00300 C6H5NO2 1.2504018 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00301 C21H27N6O15P2 1.2620128 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 DGVSIBCCYUVRNA-NNYOXOHSSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0402_00302 C5H11NO2S 1.26976977 [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3 FFEARJCKVFRZRR-OSIBIXDNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00303 C6H11N3O 1.2754386 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0402_00304 C6H14N2O 1.2946111 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0402_00305 C9H8O4 1.3083225 C1=CC(=CC=C1CC(=O)C(=O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) KKADPXVIOXHVKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpyruvic acid derivatives (CHEMONTID:0001276) NA (NA) NA (NA) +0402_00306 C6H12O3 1.3092565 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00307 C10H14N5O6P 1.3107404 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 KHWCHTKSEGGWEX-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0402_00308 C9H11NO3 1.34894477 [2H]C1=C(C(=C(C(=C1C[C@@H](C(=O)O)N)[2H])[2H])O)[2H] InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1D,2D,3D,4D OUYCCCASQSFEME-FCDGGRDXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00309 C9H11NO3 1.4332687 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00310 C9H13N3O5 1.4866262 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 UHDGCWIWMRVCDJ-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0402_00311 C8H8O4 1.4904543 C1=CC(=C(C=C1O)CC(=O)O)O InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) IGMNYECMUMZDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0402_00312 C5H10O3S 1.4981192 CSCCC(C(=O)O)O InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ONFOSYPQQXJWGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Thia fatty acids (CHEMONTID:0001423) NA (NA) +0402_00313 C9H10O4 1.5062754 C1=CC(=CC=C1CC(C(=O)O)O)O InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) JVGVDSSUAVXRDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00314 C7H6O4 1.5579038 C1=CC(=C(C(=C1)O)O)C(=O)O InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) GLDQAMYCGOIJDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00315 C6H5N5O 1.5686845 C1=CN=C2C(=N1)C(=O)NC(=N2)N InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12) HNXQXTQTPAJEJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) NA (NA) NA (NA) +0402_00316 C9H10O5 1.5860013 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0402_00317 C8H8O3 1.5891627 C1=CC=C(C=C1)[C@@H](C(=O)O)O InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1 IWYDHOAUDWTVEP-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00318 C5H8O2 1.6088774 C/C=C(\C)/C(=O)O InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ UIERETOOQGIECD-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00319 C5H7N3O 1.6163961 CC1=C(NC(=O)N=C1)N InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) LRSASMSXMSNRBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0402_00320 C7H6O4 1.6328654 C1=CC(=C(C=C1O)C(=O)O)O InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) WXTMDXOMEHJXQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00321 C10H7NO4 1.6658902 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00322 C8H8N2O3 1.6667376 C1=CC(=CN=C1)C(=O)NCC(=O)O InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12) ZBSGKPYXQINNGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00323 C6H13NO2 1.672887 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)N 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CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00353 C6H6O3 1.9264686 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0402_00354 C5H8N2O2 1.9373838 CC1CNC(=O)NC1=O InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) NBAKTGXDIBVZOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0402_00355 C5H6N2O2 1.9406853 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0402_00356 C8H11NO3 1.9423184 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0402_00357 C8H17NO2 1.9532445 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00358 C6H6O2 1.9541129 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0402_00359 C9H13NO2 1.9553085 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00360 C6H12O3 1.9664525 CC[C@@H](C)[C@H](C(=O)O)O InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 RILPIWOPNGRASR-RFZPGFLSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00361 C10H13N5O5 1.9794546 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 NYHBQMYGNKIUIF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00362 C5H5N5 1.9901789 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0402_00363 C6H12O3 2.0153468 CC(C)C[C@@H](C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 LVRFTAZAXQPQHI-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00364 C9H9NO4 2.0155266 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00365 C8H8O4 2.0381317 CC1=CC(=O)C(C(=O)O1)C(=O)C InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 PGRHXDWITVMQBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) Dihydropyranones (CHEMONTID:0001211) NA (NA) +0402_00366 C6H12O3 2.04339 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0402_00367 C7H13NO3S 2.0739553 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00368 C10H7NO2 2.0941975 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00369 C10H12N5O6P 2.1066954 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 KMYWVDDIPVNLME-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0402_00370 C6H6N2O 2.1389566 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0402_00371 C7H7NO3 2.1509912 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00372 C7H11NO3 2.1642575 C/C=C(\C)/C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+ WRUSVQOKJIDBLP-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00373 C7H13NO3 2.165685 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00374 C15H16O9 2.1662297 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0402_00375 C9H10O4 2.1843825 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0402_00376 C8H8O2 2.2061308 CC1=CC=CC=C1C(=O)O InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) ZWLPBLYKEWSWPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0402_00377 C10H12N2O3 2.2131353 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00378 C8H11NO 2.2161874 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00379 C9H10O3 2.2431691 C1=CC(=CC(=C1)O)CCC(=O)O InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) QVWAEZJXDYOKEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00380 C8H6O3 2.2569152 C1=CC=C(C=C1)C(=O)C(=O)O InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) FAQJJMHZNSSFSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0402_00381 C6H8O2 2.284976 C/C=C/C=C/C(=O)O InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ WSWCOQWTEOXDQX-MQQKCMAXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00382 C8H10N4O3 2.2860187 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00383 C7H5NO3S 2.2981044 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0402_00384 C10H12N5O6P 2.3166316 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0402_00385 C10H14N2O5 2.3440535 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0402_00386 C10H12N2O 2.3515941 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0402_00387 C2H4OS 2.3543119 CC(=O)S InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carbothioic S-acids (CHEMONTID:0003107) NA (NA) NA (NA) NA (NA) +0402_00388 C16H22N6O4 2.3561036 C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 XNSAINXGIQZQOO-SRVKXCTJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00389 C7H6O2 2.363746 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0402_00390 C9H11NO2 2.3731353 [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D COLNVLDHVKWLRT-HRVDQBBZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00391 C6H5NO3 2.4092624 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0402_00392 C9H9NO3 2.4175783 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00393 C9H13NO 2.4321401 CNCCC1=CC=C(C=C1)O InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00394 C8H8O3 2.4613677 C1=CC=C(C(=C1)CC(=O)O)O InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CCVYRRGZDBSHFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0402_00395 C6H10O3 2.4765021 CC(C)CC(=O)C(=O)O InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0402_00396 C10H13N5O4 2.476592 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00397 C9H9NO4 2.4824201 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ONJSZLXSECQROL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00398 C10H9NO2 2.4932271 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00399 C9H10O3 2.4956837 C1=CC(=CC=C1CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) NMHMNPHRMNGLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00400 C10H9NO2 2.5125101 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00401 C8H8O3 2.5141939 COC1=C(C=CC(=C1)C=O)O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00402 C7H8N2O 2.5410031 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0402_00403 C8H9NO4 2.5436436 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0402_00404 C10H7NO3 2.5692388 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00405 C9H13NO2 2.5731336 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00406 C8H9NO2 2.5765594 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00407 C9H10N2O4 2.5783919 C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1 GTVVZTAFGPQSPC-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00408 C8H7NO4S 2.586181 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) BXFFHSIDQOFMLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) NA (NA) NA (NA) +0402_00409 C11H11NO3 2.5894572 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00410 C11H12N2O2 2.6629462 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D QIVBCDIJIAJPQS-HLTLGYGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00411 C10H12O4 2.664316 COC1=C(C=C(C=C1)CC(=O)O)OC InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) WUAXWQRULBZETB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0402_00412 C10H18N2O3 2.668773 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 AUTOLBMXDDTRRT-JGVFFNPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00413 C7H8O3S 2.6696273 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0402_00414 C7H8N4O2 2.6794099 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00415 C5H10N2O3 2.6798728 C[C@@H](C(=O)NCC(=O)[O-])[NH3+] InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1 CXISPYVYMQWFLE-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00416 C11H12N2O2 2.6850783 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00417 C13H16N2O4 2.6867847 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 JFLIEFSWGNOPJJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00418 C10H11NO3 2.6879478 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00419 C11H11NO3 2.7183304 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00420 C8H15NO3 2.7340651 CC(C)C[C@@H](C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 WXNXCEHXYPACJF-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00421 C10H11NO3 2.7358929 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0402_00422 C7H8N4O2 2.7545665 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0402_00423 C13H16O7 2.7705986 CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 JPAUCQAJHLSMQW-XPORZQOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0402_00424 C9H10O2 2.7758727 CC(=O)OCC1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 QUKGYYKBILRGFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyloxycarbonyls (CHEMONTID:0001097) NA (NA) NA (NA) +0402_00425 C15H14O6 2.8175248 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 PFTAWBLQPZVEMU-DZGCQCFKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0402_00426 C8H8O4 2.8445774 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00427 C13H18O7 2.8894964 C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 NGFMICBWJRZIBI-UJPOAAIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0402_00428 C7H6O4 2.8979808 C1=CC(=C(C(=C1)O)C(=O)O)O InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) AKEUNCKRJATALU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00429 C7H8O4S 2.9006896 CC1=CC=C(C=C1)OS(=O)(=O)O InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) WGNAKZGUSRVWRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0402_00430 C7H8O2 2.9268666 C1=CC(=CC(=C1)O)CO InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 OKVJCVWFVRATSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0402_00431 C9H10O3 2.9328406 C1=CC=C(C(=C1)CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00432 C6H6O2 2.933149 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00433 C26H42N7O17P3S 2.9499589 CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1 BXIPALATIYNHJN-TVCSPYKZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0402_00434 C21H31N3O5 2.9562485 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 RLAWWYSOJDYHDC-BZSNNMDCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0402_00435 C8H7NO 2.9779068 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0402_00436 C11H13NO3 2.9873136 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00437 C11H9NO3 2.9982736 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00438 C13H14N2O3 3.0142467 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00439 C11H15N5O4 3.0184475 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0402_00440 C8H9NO 3.0378842 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0402_00441 C13H14N2O3 3.0529196 CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1 DZTHIGRZJZPRDV-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00442 C8H8O3 3.0535651 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00443 C8H8O3 3.0583532 CC(=O)OC1=CC=CC(=C1)O InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3 ZZPKZRHERLGEKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0402_00444 C6H12O2 3.0600355 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00445 C8H15N7O2S3 3.0672954 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0402_00446 C10H7NO2 3.0684201 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0402_00447 C8H11NO 3.0737389 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0402_00448 C12H14N2O2 3.0895318 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0402_00449 C7H7NO2 3.1242349 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0402_00450 C11H11NO2 3.1278963 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0402_00451 C18H16O8 3.1404403 C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0402_00452 C9H8O2 3.170678 C1=CC=C(C=C1)/C=C\C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6- WBYWAXJHAXSJNI-SREVYHEPSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0402_00453 C13H14N2O3 3.242944 C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1 FBDCJLXTUCMFLF-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00454 C9H8O2 3.2433658 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0402_00455 C15H14O6 3.2753522 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0402_00456 C6H6N4S 3.2836359 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0402_00457 C8H15NO3 3.2929056 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00458 C15H10O8 3.305145 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0402_00459 C11H13NO3 3.3164273 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00460 C13H21NO3 3.3802737 CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 NDAUXUAQIAJITI-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0402_00461 C8H8O3 3.4384072 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0402_00462 C7H11NO2 3.4442896 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0402_00463 C11H13N3O 3.4644049 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 JLSKPBDKNIXMBS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00464 C11H11NO3 3.4890461 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ YAADMLWHGMUGQL-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00465 C21H24O10 3.4999235 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 IOUVKUPGCMBWBT-QNDFHXLGSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0402_00466 C11H15N5O3S 3.506944 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0402_00467 C8H8O3 3.5359068 CC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0402_00468 C7H6O2 3.5493326 C1=CC(=CC(=C1)O)C=O InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H IAVREABSGIHHMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0402_00469 C14H22N2O3 3.5666093 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0402_00470 C17H20N4O6 3.6104334 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0402_00471 C10H10N2O 3.625497 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00472 C10H16N6S 3.6312913 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0402_00473 C36H38N4O8 3.6352878 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0402_00474 C11H14N2O 3.6406063 COC1=CC2=C(C=C1)NC=C2CCN InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 JTEJPPKMYBDEMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00475 C12H13NO2 3.659862 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00476 C14H18N2O5 3.6659742 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0402_00477 C10H12N2 3.6738232 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00478 C16H19N3O4S 3.7229239 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0402_00479 C10H12O2 3.7409722 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0402_00480 C8H9NO 3.7875753 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00481 C13H21N3O 3.8069374 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0402_00482 C11H14N2 3.839554 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0402_00483 C12H21N5O2S2 3.8553705 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+ SGXXNSQHWDMGGP-IZZDOVSWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0402_00484 C10H12O2 3.8565462 C1=CC=C(C=C1)CCCC(=O)O InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0402_00485 C7H8O2 3.8678033 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00486 C10H15NO 3.8911779 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0402_00487 C8H14O2S2 3.9535408 C1CSS[C@@H]1CCCCC(=O)O InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1 AGBQKNBQESQNJD-SSDOTTSWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoic acids and derivatives (CHEMONTID:0001116) NA (NA) NA (NA) +0402_00488 C10H20O3 3.9601638 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00489 C11H17NO3 3.9859572 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0402_00490 C7H8O2 4.0049452 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0402_00491 C7H14O2 4.0622816 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00492 C8H16O3 4.1151412 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00493 C9H10O3 4.1434716 COC(=O)CC1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 XGDZEDRBLVIUMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0402_00494 C9H10O4 4.1818945 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0402_00495 C9H7NO 4.1872856 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0402_00496 C13H16N2O2 4.1925943 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00497 C9H7NO 4.192683 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0402_00498 C8H10O3 4.224744 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0402_00499 C8H16O2 4.2268704 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0402_00500 C14H12O3 4.2330094 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ LUKBXSAWLPMMSZ-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0402_00501 C13H22N4O3S 4.2796945 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0402_00502 C15H23N3O4S 4.2875774 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0402_00503 C11H8O3 4.3022823 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) SJJCQDRGABAVBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalenecarboxylic acids and derivatives (CHEMONTID:0001871) Naphthalenecarboxylic acids (CHEMONTID:0002421) NA (NA) +0402_00504 C7H7NO3 4.3315405 CC1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 SYDNSSSQVSOXTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0402_00505 C10H11NO 4.3569802 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00506 C11H14O2 4.3698596 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00507 C12H18N2O3S 4.3733949 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0402_00508 C10H9NO 4.3952052 C1=CC=C2C(=C1)C(=CN2)CC=O InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 WHOOUMGHGSPMGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00509 C24H29N5O3 4.4822954 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00510 C10H8N2 4.5288462 C1=CC=C2C(=C1)C(=CN2)CC#N InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 DMCPFOBLJMLSNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0402_00511 C16H29N3O6S 4.568014 CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 HXJDWCWJDCOHDG-RYUDHWBXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0402_00512 C9H9NO 4.5921515 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0402_00513 C9H11NO2 4.6086954 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0402_00514 C16H14O3 4.6109169 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0402_00515 C8H16O2 4.6737053 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00516 C10H19NO3 4.6745021 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00517 C8H16O2 4.7403691 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00518 C8H15NOS2 4.7522704 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0402_00519 C18H28N2O4 4.8209239 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0402_00520 C8H7N 4.8456521 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0402_00521 C12H24O3 4.8585126 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0402_00522 C10H13N5 4.9069191 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0402_00523 C9H10N2 4.9342862 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0402_00524 C24H40O5 4.9903245 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1 BHQCQFFYRZLCQQ-UTLSPDKDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0402_00525 C13H16N2O2 5.0129609 CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1 DABYEOZXRSTEGL-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0402_00526 C11H11NO2 5.014158 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0402_00527 C21H28O5 5.0504752 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0402_00528 C15H29NO4 5.1039365 CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1 CXTATJFJDMJMIY-CYBMUJFWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0402_00529 C16H13NO3S 5.1243929 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) FWEOQOXTVHGIFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 1-naphthalene sulfonates (CHEMONTID:0003600) +0402_00530 C21H30O5 5.2175293 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1 JYGXADMDTFJGBT-CZFMHFDVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0402_00531 C10H12O3 5.26865 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0402_00532 C13H18O2 5.2746517 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0402_00533 C25H28N6O 5.3212962 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0402_00534 C10H20O2 5.3347324 CCCCC(CC)CCC(=O)O InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) PWKJMPFEQOHBAC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0402_00535 C16H28N2O4 5.3483073 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0402_00536 C12H13NO2 5.3801029 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) diff --git a/processed_data/0402/0402_validation_qspr_outliers.tsv b/processed_data/0402/0402_validation_qspr_outliers.tsv new file mode 100644 index 000000000..7304cdfe6 --- /dev/null +++ b/processed_data/0402/0402_validation_qspr_outliers.tsv @@ -0,0 +1,14 @@ +id error +0402_00359 1.3858184469745776 +0402_00368 1.3620598739761136 +0402_00375 1.3432602536343938 +0402_00376 1.6779270467661593 +0402_00388 1.6640460081860056 +0402_00415 1.38768024820275 +0402_00424 1.9223931952289846 +0402_00467 1.476094747288998 +0402_00480 1.3017304015865285 +0402_00504 1.3933698885161467 +0402_00511 2.113039324438026 +0402_00518 1.5928691829835318 +0402_00520 1.6933920028501404 diff --git a/processed_data/0403/0403_descriptors_canonical_success.tsv b/processed_data/0403/0403_descriptors_canonical_success.tsv new file mode 100644 index 000000000..b7dfc73fc --- /dev/null +++ b/processed_data/0403/0403_descriptors_canonical_success.tsv @@ -0,0 +1,585 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0403_00001 11.998999999999993 30.97893751353866 -0.31536742205584256 0.46569707537059546 2.7190585937499945 8.71326103949204 1 -11.406000000000002 660.0356369912573 4 12 -1.1799999999999997 5 10 36 0 54 0 0 -7.926 62.821476000000004 102.6258 12 1 0 1 0 0 0 0 1 0 0 0 0.6962371490835915 192 3300 51 68.76827772576067 1.9102299368266853 80.35113023613707 60.83801054542085 0 6.169925001442312 459.4200000000001 0.5 0.3333333333333333 0 0 0 0 0 0 0 9.125465128398087 0 0 23.113880376830096 22.38868905216559 4.0236922799991275 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 6 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 34.02777777777778 11.238888888888889 13.08230452674897 1 1656.3 0.16666666666666666 546 28.706742302257034 15.570810086342819 20.571833565195952 8.388108005069983 7.964196758278454 7.8481311422712015 5.902820567805841 5.476551359150158 17.75658057798775 10.303994659606227 8.154253505833285 4.275247139386526 3.6296142233868802 2.8285745906525714 1.8959720797936916 1.244682741280962 6.1799924845999445 10.876313693797675 18.572584849632335 1.7820323277529244 2.9854491491916897 4.235743184254676 10.180457611606652 2.1213203435596424 0.33333333333333337 0 1.7293006952001242 0.13423121104280486 0.1111111111111111 0 0 0 0 0.037037037037037035 0.15713484026367722 0 0 0 0.037037037037037035 0.09072184232530289 0 0 0 0 0 0 6 0 0 982.873438956207 1217.8223428518659 1829.2486037518615 2064.2204287829586 2349.400345782713 88.48973965469305 96.43858958804111 101.33902674205328 84.55564900119904 138.7637715894127 2.6122215056003584 -2.2210100698478783 1.2351128257351531 0.5887177021891816 -1.3232517653165714 12 24 81.80172599999999 63.59027399999998 +0403_00002 11.998999999999992 30.975252844853106 -0.387526036732091 0.46482839045887825 2.447721476802766 8.312232321801647 1 -5.055999999999999 340.1159683251218 2 6 0.5800000000000001 5 11 20 0 34 0 0 -4.184200000000001 17.507529640000005 58.64440000000001 4 1 0 1 0 0 0 1 0 0 0 0 0.6560664469057484 104 846 27 38.2019683253537 1.9100984162676848 37.02835387802503 30.599785793024125 0 5.321928094887363 223.05999999999997 1 0.5 0 0 0 0 0.25 2.7494592739972052 1.1547005383792517 2.381101577952299 1.8898815748423097 0 6.511579157199335 6.637916363921641 0.7937005259840998 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 2 3 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18.05 6.01171875 5.37890625 1 776.14 0.25 301 15.767584713501615 8.840752482941554 10.426021376008814 6.071281716494922 3.9873208648169984 3.4016052648450494 2.0154738752016166 1.2882238679607825 10.160313101189043 5.770918433457702 4.6075095141034295 2.6066039429884054 1.6446716565521315 1.0498001042628002 0.5226176400590204 0.28710138287316356 4.830497292755829 6.243546033525853 8.834509688803983 1.2216857955424463 1.4401201899624163 1.5938640713786718 4.449689624384121 0.8514443484839539 0.5114856834587245 0.08333333333333333 0.9680004418574732 0.08201153663926478 0.10278528525692895 0.009622504486493762 0 0 0.06804138174397717 0.30034919009686917 0.5948613524427101 0 0 0.039283710065919304 0.10826018322502853 0.14042814090382996 0 0 0 0 0 2 4 0 0 611.8036015367051 724.7260282091522 1054.842408795311 932.3851118001098 675.7111295023807 40.59445602706147 41.80665641500988 49.21088043328581 40.228250174305266 39.10403677066464 1.3324680258571147 -0.8650996899944237 0.17487986940283248 0.3083048686734645 -0.563083437423191 7 12 37.928898 36.77910199999998 +0403_00003 11.996355124387277 16.00078345362929 -0.3513937699710221 0.2796565826713981 3.8736406250000015 8.434504656201621 0.5 -1.3 176.1243709767507 0 5 1.46 2 7 11 0 20 0 0 -0.7945000000000001 0.6312302500000001 34.3779 3 0 0 0 0 0 0 0 0 0 0 0 0.6356795584596644 50 211 12 22.167514545706865 1.8472928788089054 14.339236056350511 14.339236056350511 0 4.459431618637298 111.89999999999999 1 0.5 0 0 0 0 0.4999999999999999 5.1115448339701794 0 2.6207413942088964 0 0 3.432371265029894 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 5.612244897959184 6.25 0.5 229.06 0 101 9.723614639131599 5.430428110326541 5.263194812267872 2.4911169434733687 1.8515538194352388 1.473562287363385 0.3849001794597505 0 6.0579494894541845 3.0954713256548185 2.230886469958112 1.1912809848301884 0.6683602112217637 0.2728564067040371 0.05281420117259434 0 1.4685924646452722 1.7030203017602068 2.658034958234982 0.41688405333306167 0.41027519381515604 0.3101853519230753 1.316496580927726 0 0.16666666666666666 0 0.32614163984046 0 0.026352313834736494 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 2 1 0 395.5851642529298 418.1332183339847 494.55886073095724 428.698529058594 362.28421459863296 16.646814213245676 12.992551862795386 18.315958969418226 14.656735817060516 16.985103725590772 0.5837952237711161 -0.24858543456898285 0.12679155208550977 0.06640861542875354 -0.49762825313659936 3 6 11.619655999999997 20.706343999999998 +0403_00004 11.996355098223091 16.001639846075996 -0.39930478629729355 0.29212552272032516 3.9324531249999968 8.908668808827203 0.5 -2.247 192.1237759043201 0 5 1.35 2 7 12 0 21 0 0 -1.395 1.9460250000000001 35.6239 3 0 0 0 0 0 0 0 0 0 0 0 0.6880803125066076 58 246 16 23.918450589370877 1.8398808145669905 16.754366295774638 16.754366295774638 0 4.584962500721156 132.13 1 0.5 0 0 0 0 0.4999999999999999 3.3019272488946267 2 0.9085602964160698 1.8898815748423097 0 5.065277270656926 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 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tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 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77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0403_00461 25,73,89,96,134,153,170,181,220,311,326,327,330,346,347,369,408,420,433,435,448,461,473,487,522,550,562,597,605,626,660,696,705,719,724,787,790,791,905,936,945,956,968,974,986 +0403_00462 29,134,153,255,268,270,312,326,347,420,455,487,515,550,586,588,626,640,676,781,792,858,968 +0403_00463 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0403_00464 96,134,283,353,381,487,550,591,626,640,675,968 +0403_00465 59,65,86,119,134,146,220,236,260,343,347,447,508,522,542,550,609,626,671,686,787,812,887,948,968,972 +0403_00466 4,35,50,63,67,89,94,127,132,134,137,139,153,163,175,199,207,244,311,316,319,326,327,330,369,374,405,422,461,524,576,626,631,638,675,680,686,719,720,772,783,791,797,801,814,877,919,924,936,948,963,968,974,982 +0403_00467 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0403_00468 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0403_00469 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0403_00470 20,75,94,96,134,153,283,353,354,457,480,487,497,508,519,530,533,550,626,640,675,696,719,727,752,786,919,935,945,968,1010 +0403_00471 6,20,73,94,101,134,241,283,353,456,487,508,550,626,640,699,708,727,781,919,968 +0403_00472 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0403_00473 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0403_00474 20,49,94,153,207,231,261,480,508,530,626,727,752,802,803,813,948,992 +0403_00475 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0403_00476 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 +0403_00477 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0403_00478 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0403_00479 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0403_00480 19,20,24,34,46,54,56,57,65,80,86,89,124,134,139,144,153,159,163,167,172,192,204,207,262,269,270,298,300,310,313,319,335,347,349,353,360,363,364,365,366,374,384,390,402,405,422,428,434,436,437,458,459,461,464,467,475,481,486,492,493,508,516,524,525,529,530,532,533,535,548,552,554,555,556,558,566,580,588,595,599,600,603,623,625,626,629,653,663,669,678,690,692,705,719,720,726,727,728,751,755,762,763,766,783,789,791,831,850,870,887,889,900,914,915,917,919,929,936,948,954,959,960,963,968,974,975,977,997 +0403_00481 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0403_00482 5,20,29,74,109,134,149,260,347,476,487,508,515,520,533,550,586,626,640,662,676,727,762,781,792,813,844,886,948,961,968 +0403_00483 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0403_00484 20,21,30,87,91,93,94,107,134,139,141,147,148,153,207,226,262,270,281,304,347,353,369,371,381,430,435,476,497,508,515,550,551,598,601,626,634,640,712,717,727,735,737,808,825,842,845,850,855,908,968,976,989 +0403_00485 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0403_00486 36,96,134,145,278,349,421,487,491,508,550,579,825,829,850,964,968 +0403_00487 62,96,134,145,153,270,303,326,347,420,421,487,550,588,626,650,968 +0403_00488 20,28,33,83,94,96,107,115,134,153,207,244,248,272,366,372,383,389,479,487,503,508,516,522,550,554,603,626,654,662,684,714,727,739,762,778,786,790,797,802,812,886,893,896,948,968,978,982 +0403_00489 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0403_00490 2,20,94,134,169,212,220,226,233,353,367,454,456,508,515,550,578,590,626,635,640,727,732,758,897,948,968,998 +0403_00491 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0403_00492 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0403_00493 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0403_00494 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0403_00495 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0403_00496 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0403_00497 20,64,96,134,141,153,182,200,207,272,341,372,383,389,407,479,481,487,503,508,550,582,596,601,603,635,654,662,714,727,762,778,786,797,812,893,896,916,951,968,989 +0403_00498 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0403_00499 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0403_00500 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0403_00501 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0403_00502 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0403_00503 77,107,134,142,153,199,260,293,330,333,347,356,372,383,421,465,479,481,505,515,522,541,549,550,591,654,662,704,762,778,786,797,812,813,833,896,913,940,948,968 +0403_00504 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0403_00505 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0403_00506 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0403_00507 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0403_00508 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0403_00509 29,36,134,278,349,405,437,487,508,515,550,586,592,626,640,676,781,792,801,825,829,850,887,968 +0403_00510 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0403_00511 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0403_00512 96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0403_00513 12,17,20,42,49,73,89,101,121,134,141,153,170,178,220,270,281,282,302,311,326,327,330,339,346,347,353,369,387,435,461,473,508,515,530,550,562,563,580,597,620,626,640,660,676,705,719,724,727,728,733,743,786,787,790,791,805,850,905,936,947,951,954,968,970,974,1020 +0403_00514 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0403_00515 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0403_00516 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0403_00517 4,20,21,33,80,94,134,153,165,185,191,204,220,223,227,247,294,332,360,405,421,438,455,457,461,480,487,488,493,506,508,513,518,519,529,530,591,593,594,615,626,638,660,662,681,685,689,727,752,756,786,802,835,846,849,855,880,901,915,936,948,968,976,978,991,993,994 +0403_00518 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0403_00519 9,20,69,71,100,101,102,114,134,138,144,153,207,249,258,263,270,317,360,363,368,384,400,404,405,408,430,453,465,508,516,570,581,593,601,615,657,662,670,685,693,706,746,773,791,808,812,847,850,878,881,883,898,915,948,968,983,989,998,1012,1013 +0403_00520 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0403_00521 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0403_00522 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0403_00523 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0403_00524 105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0403_00525 20,62,94,96,134,136,145,153,178,270,274,354,421,480,487,508,530,550,588,626,666,727,752,778,786,819,851,968,976,977 +0403_00526 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0403_00527 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0403_00528 1,20,134,139,153,231,251,270,281,291,300,347,458,508,522,549,550,620,626,640,676,702,727,733,927,947,948,968,970 +0403_00529 15,20,89,90,94,137,153,252,339,463,480,497,508,530,547,626,664,727,737,752,772,773,778,803,820,951,972,976,998,1008 +0403_00530 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0403_00531 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0403_00532 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0403_00533 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0403_00534 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0403_00535 20,62,94,153,283,391,469,480,497,508,530,556,626,727,752,755,778,803,826,948,976,994 +0403_00536 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0403_00537 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0403_00538 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0403_00539 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0403_00540 4,15,35,44,73,89,126,128,129,134,153,154,170,173,192,197,200,206,210,215,220,226,245,260,264,277,282,303,311,316,320,326,327,330,334,346,347,353,362,369,400,405,423,435,444,461,467,477,486,504,508,515,534,540,549,550,562,575,608,618,624,626,628,636,640,651,656,657,661,683,701,705,709,719,727,734,754,760,770,778,787,791,793,796,804,863,883,904,936,939,948,962,968,974,1023 +0403_00541 71,96,134,153,272,278,325,372,383,389,456,479,487,503,508,550,603,654,662,714,762,774,777,778,786,791,797,812,850,868,869,893,896,968,997 +0403_00542 134,138,220,226,304,325,344,353,417,453,474,508,515,542,550,556,626,640,654,657,686,697,745,802,819,937,948,968,989 +0403_00543 15,20,63,68,71,94,96,126,134,155,276,298,315,322,328,403,420,456,487,508,550,569,577,606,616,626,640,725,727,739,778,928,935,968 +0403_00544 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0403_00545 2,19,96,134,153,272,323,372,383,389,420,479,487,503,541,550,556,603,654,662,714,729,742,762,770,778,786,797,812,835,893,896,909,942,968 +0403_00546 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0403_00547 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0403_00548 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0403_00549 14,20,62,69,94,107,110,118,128,141,145,153,159,207,231,242,250,257,270,274,283,284,285,327,342,354,363,366,380,403,440,474,480,481,508,516,530,556,626,627,635,673,680,690,692,727,739,755,757,778,826,871,878,915,917,923,927,948,984,994 +0403_00550 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0403_00551 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0403_00552 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0403_00553 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0403_00554 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0403_00555 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0403_00556 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0403_00557 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0403_00558 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0403_00559 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0403_00560 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0403_00561 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0403_00562 20,64,96,134,135,141,153,182,196,207,272,310,347,372,383,389,407,408,479,481,487,491,503,505,508,544,550,603,635,654,662,663,714,727,762,763,778,786,797,812,863,893,896,907,948,951,968,989,994 +0403_00563 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0403_00564 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0403_00565 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0403_00566 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0403_00567 20,62,124,138,140,153,171,207,272,283,306,338,347,358,370,387,423,434,497,508,511,526,530,536,556,575,627,640,700,727,748,755,778,781,826,827,833,888,916,918,919,948,994 +0403_00568 15,20,26,44,58,60,77,89,94,136,153,161,173,175,207,222,229,231,243,244,261,276,285,318,330,332,343,382,401,453,480,492,499,508,530,605,609,618,626,655,670,677,686,690,726,727,746,752,758,762,769,772,795,802,806,818,836,883,922,933,936,941,948,957,964,971,983,1009 +0403_00569 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0403_00570 25,96,134,136,139,145,146,172,188,202,236,245,257,305,381,421,461,467,485,487,508,516,530,545,550,560,577,578,595,609,626,736,749,781,802,824,873,907,908,924,935,968,971,991,1015 +0403_00571 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0403_00572 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0403_00573 5,15,20,40,82,89,92,108,122,134,140,151,153,154,171,201,207,240,252,254,263,268,347,365,433,474,481,492,505,508,516,540,544,587,597,663,686,687,688,727,740,741,762,767,776,802,878,891,896,914,948,960,968,994 +0403_00574 15,20,21,26,45,58,60,80,89,92,95,99,146,153,159,207,216,222,231,236,237,243,244,270,285,288,314,332,343,360,366,371,382,388,401,453,470,479,480,492,494,497,499,508,516,530,586,605,609,618,621,626,633,655,670,688,690,691,726,727,746,758,762,772,795,802,806,808,818,836,933,936,948,961,964,970,983 +0403_00575 7,15,19,20,21,25,26,89,107,117,134,148,153,214,222,245,255,267,269,285,293,308,315,326,338,342,343,351,357,399,401,406,427,492,494,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,772,819,821,836,840,841,847,866,898,936,948,968,995,996,1021,1022 +0403_00576 15,20,44,56,58,89,115,134,138,160,220,245,274,302,307,364,454,473,508,512,540,649,660,666,762,871,934,948,968,971,1008 +0403_00577 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0403_00578 5,15,19,20,21,25,26,89,107,117,134,141,148,153,165,182,214,222,245,255,267,269,285,288,308,311,315,326,343,347,351,357,372,399,401,408,421,450,492,499,503,508,513,517,544,558,566,580,602,603,626,647,656,727,742,744,746,762,767,772,819,836,840,855,886,898,900,928,936,948,968,989,996,1014,1022 +0403_00579 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0403_00580 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 +0403_00581 20,62,94,153,165,187,207,231,254,261,416,480,508,526,530,589,626,727,752,778,809,826,866,876,948,972,977,994,1017 +0403_00582 4,134,148,201,226,304,315,347,353,362,366,515,516,538,549,550,626,640,666,669,705,712,735,778,825,850,858,931,948,968,970,990,999 +0403_00583 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0403_00584 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 diff --git a/processed_data/0403/0403_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0403/0403_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..4ac3c0b1d --- /dev/null +++ b/processed_data/0403/0403_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,585 @@ +id bits.on +0403_00001 24,57,84,89,114,167,347,467,508,588,599,626,692,823,954 +0403_00002 26,40,43,57,72,89,94,109,141,153,173,207,263,266,347,442,461,508,549,555,557,584,588,607,626,669,675,687,692,719,741,743,755,763,829,855,936,937,954,959 +0403_00003 20,59,94,107,134,148,153,207,445,480,508,511,529,552,626,727,832 +0403_00004 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0403_00005 20,94,107,134,153,207,212,232,390,458,480,508,511,542,568,602,626,727,813,889,909,936 +0403_00006 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0403_00007 20,94,126,153,257,276,370,469,480,486,498,508,601,625,626,719,727,805,850,874,904,1011 +0403_00008 19,20,24,44,56,57,65,71,72,75,89,94,126,134,139,153,167,168,169,172,173,177,212,235,257,269,276,297,300,316,319,347,351,359,364,387,405,406,422,436,442,443,456,460,461,467,475,481,486,487,492,508,524,525,528,550,555,558,566,569,580,588,599,603,612,614,625,626,627,629,647,653,678,690,692,706,719,721,727,728,745,755,763,783,795,808,810,843,860,861,887,897,898,900,918,936,954,960,966,967,968,974,975,990,1005 +0403_00009 11,20,37,55,57,65,87,94,107,153,207,266,274,292,347,390,508,533,538,588,626,646,692,701,727,757,758,763,941,954,978,1015 +0403_00010 57,79,89,121,134,139,153,159,173,177,197,212,245,257,269,274,300,347,351,364,387,401,405,442,452,460,461,465,481,492,508,523,524,525,555,560,566,588,596,615,626,631,657,681,692,716,719,763,765,807,833,860,874,887,928,936,952,954,968,974,980,997 +0403_00011 57,79,89,134,139,150,153,159,173,177,197,212,245,257,269,274,300,347,351,364,387,401,405,442,452,460,461,465,475,481,492,508,523,524,555,560,566,588,596,600,615,626,631,657,672,681,692,716,719,763,765,791,807,833,860,874,887,900,928,936,952,954,968,974,980,997 +0403_00012 20,57,94,107,108,146,153,207,326,347,435,508,571,576,588,626,692,727,747,845,899,954,961 +0403_00013 20,57,58,94,115,172,347,454,508,539,588,626,692,712,719,727,779,872,954,995 +0403_00014 20,53,57,94,98,107,114,153,175,196,207,266,292,347,390,508,531,588,626,682,692,727,757,763,954 +0403_00015 57,76,89,96,103,109,125,132,134,139,153,159,164,173,177,197,212,223,245,266,307,319,337,347,351,368,387,388,401,405,422,442,461,506,508,524,555,582,585,588,626,631,645,662,692,696,719,727,731,743,763,783,848,867,874,936,954,968,974,980,981,990,997,1007 +0403_00016 16,20,57,153,182,207,225,266,274,292,347,390,482,507,508,588,603,620,624,626,687,692,701,727,756,757,758,763,873,876,954,973,978 +0403_00017 57,79,89,134,139,150,153,159,167,169,173,177,197,212,227,236,245,257,269,277,285,300,347,351,361,364,387,401,434,442,452,461,475,492,506,508,524,555,566,569,588,600,626,630,657,662,672,692,719,763,766,791,806,860,874,900,936,952,954,968,974,980,997 +0403_00018 19,24,56,57,65,89,109,134,139,153,155,167,172,173,212,266,287,319,347,369,387,401,405,415,422,436,442,461,467,481,486,499,508,524,525,555,558,566,580,588,595,599,625,626,629,653,660,678,690,692,719,728,743,749,755,761,763,783,887,925,936,954,960,968,974,975,980,990 +0403_00019 20,39,94,107,134,153,196,207,312,390,480,508,511,531,626,727,807 +0403_00020 20,94,107,134,153,207,390,480,493,508,511,626,676,727,784,795,976 +0403_00021 20,94,107,134,153,207,277,313,390,398,480,508,511,626,694,727,943 +0403_00022 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24,57,85,89,134,139,153,167,212,245,274,281,287,311,326,347,384,387,401,405,432,442,452,460,461,465,467,481,508,523,524,548,560,588,596,599,615,626,631,657,660,681,692,716,719,749,761,765,833,835,887,928,936,952,954,968,974 +0403_00135 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 +0403_00136 20,57,84,89,134,138,139,153,159,173,177,197,210,212,245,257,267,269,274,300,347,351,364,387,401,402,405,430,442,445,452,460,461,465,481,492,508,523,524,540,555,560,596,600,615,626,631,657,681,692,700,716,718,719,763,765,807,833,846,860,874,877,887,911,919,928,932,936,948,952,954,965,968,974,980,994,997 +0403_00137 20,94,107,141,153,186,207,387,481,508,533,626,727,776,789,1000,1006 +0403_00138 57,84,138,142,153,207,267,292,320,326,347,390,429,430,474,508,540,552,576,600,626,686,700,718,734,763,779,833,863,877,911,919,921,932,948,954,955,994 +0403_00139 20,34,45,94,107,141,146,153,168,197,207,217,231,236,255,481,508,522,626,675,727,743,776,789,875,889,948,1009 +0403_00140 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57,84,138,142,153,207,267,292,311,320,326,347,390,429,430,474,508,513,540,576,600,626,700,718,734,763,779,833,877,911,919,921,926,932,948,954,955,994 +0403_00152 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0403_00153 8,15,20,26,89,94,153,178,207,216,243,263,323,326,390,393,413,429,457,461,474,492,508,516,570,576,594,626,691,701,727,750,758,760,762,770,819,829,833,837,848,855,936,948,960,981,1000,1008 +0403_00154 19,20,138,141,153,202,207,225,231,269,387,438,481,508,547,606,688,700,713,718,727,771,776,778,813,833,919,932,948 +0403_00155 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0403_00156 15,153,207,323,326,390,533,538,562,576,626,701,702 +0403_00157 15,153,207,300,323,326,390,538,576,626,638,657,674,701,775,880,918,943,944 +0403_00158 15,39,81,85,87,89,111,142,153,183,205,311,326,363,442,460,461,607,626,686,719,721,743,757,936,964,974 +0403_00159 2,20,59,80,86,94,144,153,207,298,305,373,379,480,508,626,727,767,802,896,948,1009 +0403_00160 20,94,153,156,259,261,268,313,341,480,481,508,626,651,659,727,756,862 +0403_00161 20,39,47,55,89,134,151,245,264,276,341,481,492,506,508,516,600,662,677,727,761,767,782,836,874,886,981,986 +0403_00162 20,25,68,71,94,134,146,170,172,181,226,236,280,353,438,456,496,508,515,532,539,550,561,609,613,626,640,713,726,727,928,968 +0403_00163 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 +0403_00164 20,35,94,177,222,265,341,469,481,508,551,626,727,850,874,1003 +0403_00165 15,20,26,94,131,222,481,508,570,608,626,727,985 +0403_00166 15,57,89,109,127,128,134,139,153,167,169,173,236,245,266,277,283,314,347,413,434,440,442,452,461,506,508,524,555,569,588,620,626,657,662,687,692,743,763,764,766,806,814,816,824,932,936,952,954,964,968,974,980 +0403_00167 20,94,107,153,167,207,312,326,508,516,576,590,602,626,673,727,739,762,797,931,948,960 +0403_00168 20,51,94,107,141,153,174,207,217,231,270,294,341,353,360,481,504,508,516,545,552,626,643,727,771,776,778,789,986 +0403_00169 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 +0403_00170 20,77,94,107,118,141,146,153,207,210,231,250,301,390,481,491,508,626,635,637,726,727,779,849,859,1020 +0403_00171 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +0403_00172 20,21,82,94,107,141,153,203,207,217,231,261,347,430,475,480,481,485,508,530,544,545,626,640,727,752,776,789,797,850,950,1019,1022 +0403_00173 20,56,94,107,153,207,263,279,293,341,353,440,481,508,511,516,626,647,655,727,737,739,762,797,948,960,981 +0403_00174 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 +0403_00175 69,153,207,326,390,495,538,576,626,697,704,874,892 +0403_00176 20,94,126,144,172,214,305,481,508,626,727,948,977 +0403_00177 20,94,107,118,141,153,207,254,481,508,527,626,635,727,948,994,1006 +0403_00178 15,153,207,300,323,326,390,452,495,538,576,626,701,775,781,918,1018 +0403_00179 20,77,94,107,153,207,481,508,541,590,626,677,727,802,849,929,948 +0403_00180 153,207,300,326,390,538,576,577,626,775,878,918,941 +0403_00181 20,94,107,141,153,207,254,343,437,481,508,524,626,702,727,948,994 +0403_00182 20,138,146,153,320,387,423,508,530,575,606,700,718,727,778,833,859,919,924,932,944,948 +0403_00183 7,27,70,85,89,153,200,202,216,229,260,292,297,300,311,323,326,347,442,454,461,467,493,554,557,562,590,621,626,703,711,719,743,835,889,935,936,956,974,986 +0403_00184 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +0403_00185 20,77,94,107,141,153,207,231,301,343,436,481,508,509,605,626,643,702,727,778,836,877,913 +0403_00186 72,85,89,153,166,187,311,326,351,442,461,481,553,626,647,687,719,743,746,757,830,839,893,917,936,967,974 +0403_00187 24,57,64,67,73,82,89,120,125,129,132,134,139,153,163,168,170,173,177,244,245,257,269,300,309,311,319,326,327,330,337,339,346,347,351,364,369,405,422,424,435,442,461,466,475,481,486,492,506,508,522,524,532,555,562,565,582,615,626,631,660,662,669,686,692,719,743,763,773,783,787,791,792,797,860,868,876,887,889,900,905,915,919,936,954,957,968,974,987,988 +0403_00188 89,562,626,719,936,962 +0403_00189 22,85,89,153,187,266,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0403_00190 22,85,89,153,187,229,268,300,311,326,442,461,562,626,647,651,658,719,743,786,864,936,974,986 +0403_00191 20,153,207,278,291,300,325,326,390,442,448,507,508,538,576,620,626,665,727,774,775,842,898,918 +0403_00192 22,85,89,153,187,197,212,218,268,311,326,351,442,461,562,612,626,647,689,719,743,757,936,974 +0403_00193 85,89,147,153,261,284,311,326,351,442,461,539,562,582,617,626,689,690,719,743,851,936,974,1009 +0403_00194 15,26,31,89,139,153,180,212,263,280,326,413,414,461,549,557,578,624,626,635,671,711,719,765,783,855,877,921,936 +0403_00195 4,15,26,31,37,39,89,139,151,153,212,263,280,326,390,414,440,461,475,549,557,626,711,719,797,809,855,877,936 +0403_00196 22,85,89,153,180,187,268,311,326,351,442,461,562,626,647,658,689,719,743,757,864,936,974,986 +0403_00197 15,26,39,61,72,89,118,139,153,212,263,280,326,414,448,461,475,492,620,626,659,711,719,797,809,855,898,919,936 +0403_00198 15,26,31,39,89,126,139,153,212,263,280,301,326,390,414,461,475,549,557,626,711,719,797,806,809,855,877,936 +0403_00199 4,22,89,127,138,153,160,197,311,326,382,430,461,562,596,612,615,626,647,719,850,925,936,974 +0403_00200 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 +0403_00201 19,56,57,65,79,89,121,134,139,153,155,159,172,173,177,197,212,257,269,300,319,347,351,364,387,401,405,422,436,442,461,481,486,492,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,755,763,783,860,874,887,935,936,954,960,968,974,975,980,990,997 +0403_00202 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 +0403_00203 10,15,20,39,89,94,134,199,201,217,245,264,331,411,462,506,508,540,553,560,617,626,662,677,707,712,727,981,1022 +0403_00204 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0403_00205 15,20,80,89,94,134,199,201,245,264,411,429,508,554,626,662,677,727,772,842,954,1022 +0403_00206 15,20,33,35,89,94,134,201,245,248,264,422,508,554,626,645,662,677,727,737,772,1022 +0403_00207 5,15,23,30,89,158,314,461,577,579,626,647,711,719,782,836,887,918,936,959,993 +0403_00208 22,85,89,153,187,268,311,326,351,442,461,626,647,719,743,935,936,974,986 +0403_00209 15,30,39,89,208,325,393,461,577,602,626,647,685,711,719,765,782,791,809,936,986 +0403_00210 153,204,207,323,326,367,390,576,626,701 +0403_00211 49,153,207,300,323,326,390,576,626,701,758,775,808 +0403_00212 15,30,89,180,272,325,355,413,448,461,462,577,626,647,711,719,782,858,870,936,986 +0403_00213 15,30,39,89,95,208,393,439,461,577,602,612,626,647,685,711,719,765,782,809,936 +0403_00214 15,18,30,39,89,142,325,374,393,461,577,602,626,647,685,711,719,782,809,936,986 +0403_00215 20,47,51,67,71,94,134,169,213,226,265,353,454,456,481,508,515,519,550,626,635,640,727,887,897,954,968,998 +0403_00216 2,3,17,20,94,95,134,169,227,295,298,449,456,458,481,508,515,560,626,640,676,716,727,887,897,968 +0403_00217 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0403_00218 20,80,94,107,134,141,207,270,342,350,458,459,481,484,508,550,562,620,626,627,640,647,676,727,733,947,968 +0403_00219 20,59,65,86,94,129,134,146,169,236,260,347,447,456,496,508,550,609,626,635,704,727,787,812,887,897,947,968,972 +0403_00220 20,59,86,94,109,134,146,169,236,260,347,353,384,454,456,487,508,515,550,568,602,609,619,626,635,727,741,781,787,849,897,898,968,972,976 +0403_00221 20,94,134,153,207,213,277,390,480,508,511,626,661,727,802,948 +0403_00222 20,94,134,153,207,390,480,508,511,626,721,727,802,807,948,984 +0403_00223 20,94,107,153,207,254,321,339,390,398,508,626,694,727,948,994 +0403_00224 20,59,94,107,153,207,256,326,508,576,616,626,727,802,865,948 +0403_00225 48,52,89,118,134,153,207,210,242,245,257,259,326,346,390,461,508,534,576,582,590,606,626,667,676,719,906,936,978 +0403_00226 20,70,85,89,140,153,263,297,311,326,351,442,457,461,474,492,508,510,516,527,548,626,627,643,717,719,727,743,762,790,900,936,948,960,974 +0403_00227 20,77,94,153,281,480,481,508,530,613,626,727,752,913 +0403_00228 15,20,77,89,94,153,160,202,364,454,481,508,626,677,727,742,772,819,822,846,862,863,934,993 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15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 +0403_00259 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 +0403_00260 7,27,70,85,89,93,153,200,202,216,260,292,297,300,311,326,347,351,442,454,461,467,493,554,557,562,590,602,621,626,689,711,719,743,835,889,935,936,956,974,986 +0403_00261 26,85,89,139,153,181,200,216,229,232,260,269,300,311,323,326,343,347,399,442,452,461,467,469,493,557,562,590,621,625,626,646,657,698,703,711,719,743,829,846,855,878,936,974 +0403_00262 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 +0403_00263 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22,46,54,60,85,87,89,153,177,187,209,229,235,266,279,282,300,311,326,347,351,410,434,442,450,461,471,555,562,626,647,658,719,729,732,743,864,884,936,974,986,994 +0403_00270 15,20,60,85,87,89,143,153,191,201,207,311,323,326,344,347,351,390,402,410,417,442,455,461,463,500,507,508,523,538,544,562,576,605,626,665,688,689,701,719,727,743,802,863,898,905,936,974,996 +0403_00271 18,20,94,128,137,153,159,270,366,391,439,480,497,501,508,516,530,556,584,626,727,734,752,778,803,871,918,927,976,1007 +0403_00272 26,44,66,82,85,89,94,129,139,153,158,162,177,182,183,220,229,243,279,300,311,313,326,328,343,347,351,385,392,435,442,443,451,461,464,471,486,496,499,547,555,557,562,587,626,642,666,719,743,753,829,861,868,908,936,974,994,1015 +0403_00273 20,21,94,153,237,417,466,478,480,508,530,626,727,752,762,948 +0403_00274 7,22,60,64,85,87,89,133,140,153,176,187,198,260,311,326,347,351,402,410,442,461,467,471,498,523,554,562,626,647,651,658,689,702,719,727,743,755,789,835,888,936,962,974,986,994 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1,26,39,46,54,60,63,85,87,89,94,139,153,161,162,174,177,183,209,229,278,279,282,287,300,311,313,326,347,351,385,410,434,442,450,461,464,471,486,496,499,523,551,555,557,562,626,654,719,729,732,743,753,829,852,868,936,974,994,1015 +0403_00283 20,44,57,67,71,72,75,77,89,123,132,134,137,139,145,153,159,168,173,177,197,209,212,235,245,257,269,276,297,300,304,315,317,319,341,347,351,359,364,387,401,405,406,422,432,436,442,443,461,475,479,481,486,487,492,508,524,528,544,550,555,582,603,612,614,626,627,631,662,669,692,699,704,719,721,727,745,763,783,787,795,804,810,836,843,860,866,871,874,881,897,898,899,900,918,936,954,968,974,980,997,1005 +0403_00284 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 +0403_00285 20,94,134,153,158,271,326,401,420,456,461,508,529,552,555,568,584,626,629,712,727,748,833,968,1002 +0403_00286 15,19,56,57,65,79,89,121,127,128,134,139,153,172,173,269,283,300,314,319,347,364,405,413,422,436,442,461,475,480,481,486,492,508,524,525,555,558,566,580,588,625,626,629,678,687,690,692,717,728,755,763,781,783,794,814,824,860,887,932,936,954,960,964,968,974,975,980,1021 +0403_00287 15,50,57,64,67,70,89,109,120,127,128,129,131,132,134,139,153,163,168,173,245,266,283,309,314,319,337,347,405,413,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,687,692,743,763,783,791,792,814,816,824,853,860,868,887,889,932,936,954,964,968,974,980 +0403_00288 34,85,89,114,153,200,229,254,300,311,323,326,347,361,442,461,493,549,562,626,673,703,719,743,916,936,948,974 +0403_00289 13,20,94,144,153,216,240,305,357,373,413,508,626,727,948,977,994 +0403_00290 20,94,107,153,206,207,254,326,445,508,576,626,671,727,744,832,948,994 +0403_00291 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1,20,31,68,94,96,121,128,134,153,181,211,213,256,270,283,353,359,374,480,487,500,508,516,535,550,576,626,640,675,724,727,871,927,968 +0403_00436 20,49,94,153,207,296,353,508,511,591,626,719,727,802,885,941,948,974 +0403_00437 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0403_00438 59,86,96,134,146,163,166,236,247,272,285,298,347,383,389,479,487,503,508,550,573,592,607,609,626,654,662,678,714,762,786,797,802,896,968,972,984 +0403_00439 12,20,49,94,134,141,153,178,270,281,305,457,480,508,530,550,620,626,640,676,727,733,752,786,872,947,968,970 +0403_00440 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0403_00441 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 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4,36,134,201,226,278,347,349,353,437,508,515,549,550,626,640,666,685,688,705,712,731,778,825,850,858,931,948,968,990,999 +0403_00449 4,20,94,112,134,151,153,203,228,255,270,278,281,334,347,432,480,508,515,522,549,550,626,705,706,709,721,727,738,778,843,948,968 +0403_00450 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0403_00451 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0403_00452 19,36,56,57,65,89,105,119,131,134,139,153,155,159,172,173,177,197,207,211,212,219,220,240,245,253,257,262,269,292,300,319,324,347,351,364,367,387,390,394,399,400,401,403,405,411,422,423,436,442,461,467,475,481,486,489,492,506,508,515,522,524,525,532,538,555,558,560,563,566,580,582,585,596,603,607,615,616,622,625,626,629,647,653,655,658,662,668,678,690,691,692,701,710,719,728,746,755,758,763,775,783,841,860,874,887,900,919,934,935,936,948,954,960,968,974,975,980,990,997,1006,1018,1024 +0403_00453 20,39,49,56,61,94,107,153,207,255,500,508,516,527,555,626,647,655,687,727,739,762,797,802,948,960 +0403_00454 7,20,37,89,94,119,134,149,195,204,220,227,247,260,300,320,343,347,461,493,508,522,533,542,550,557,562,626,677,686,719,727,779,799,812,865,876,927,936,948,968,974 +0403_00455 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0403_00456 20,62,96,134,145,153,270,347,349,421,487,508,544,550,588,629,648,695,725,727,762,864,886,915,948,964,968,989 +0403_00457 3,15,17,40,73,89,129,134,182,214,226,228,231,259,288,337,353,369,371,381,394,413,415,444,461,476,494,503,511,515,534,540,550,552,564,588,594,626,640,676,750,759,888,904,936,947,951,968,1019 +0403_00458 20,22,31,68,94,96,121,128,134,153,182,211,220,256,270,359,367,374,431,480,487,500,508,516,550,626,644,727,748,847,871,906,913,927,948,968 +0403_00459 19,56,65,89,126,134,139,155,159,172,212,260,319,367,382,401,405,422,436,461,481,486,524,525,558,566,580,625,626,629,647,653,678,690,719,728,755,783,878,887,936,948,960,968,974,975,989,990,998 +0403_00460 77,96,134,145,153,167,207,286,364,390,421,481,487,522,550,601,626,647,755,787,849,968,987,991 +0403_00461 25,70,85,89,93,96,134,153,181,197,200,216,220,300,311,326,347,351,408,420,433,442,448,461,487,493,533,550,557,562,602,605,626,689,696,705,719,742,743,765,936,945,956,968,974 +0403_00462 29,134,153,255,268,270,312,326,347,420,455,487,515,550,586,588,626,640,676,781,792,858,968 +0403_00463 20,68,94,134,170,181,226,260,300,311,347,353,421,440,456,490,496,505,508,515,549,550,626,640,727,742,778,806,812,928,948,968 +0403_00464 96,134,283,353,381,487,550,591,626,640,675,968 +0403_00465 59,65,86,119,134,146,220,236,260,343,347,447,508,522,542,550,609,626,671,686,787,812,887,948,968,972 +0403_00466 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +0403_00467 15,35,44,134,153,189,190,237,245,315,347,390,405,443,452,479,508,516,529,582,662,805,870,925,968,1012,1019,1022 +0403_00468 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0403_00469 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0403_00470 20,75,94,96,134,153,283,353,354,457,480,487,497,508,519,530,533,550,626,640,675,696,719,727,752,786,919,935,945,968,1010 +0403_00471 6,20,73,94,101,134,241,283,353,456,487,508,550,626,640,699,708,727,781,919,968 +0403_00472 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0403_00473 13,15,20,56,62,77,89,94,96,107,134,145,153,175,178,190,207,225,231,237,267,270,284,307,367,371,384,389,397,415,421,424,429,436,458,469,477,481,487,504,508,516,523,524,540,550,582,588,606,621,626,645,655,677,727,772,776,778,786,807,814,826,827,851,868,913,935,968,984 +0403_00474 20,49,94,153,207,231,261,480,508,530,626,727,752,802,803,813,948,992 +0403_00475 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0403_00476 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +0403_00477 20,64,94,96,107,134,153,167,207,272,310,333,347,372,375,383,389,407,479,487,503,508,516,550,602,603,626,654,662,673,714,727,739,762,778,786,797,812,893,896,948,960,968,989,1018 +0403_00478 20,47,51,64,94,96,107,134,153,207,272,292,303,372,383,389,398,407,479,487,503,508,516,521,550,603,626,654,662,714,727,739,762,778,786,797,812,827,893,896,927,948,960,968,989 +0403_00479 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0403_00480 19,20,24,34,56,57,65,80,86,89,134,139,144,153,155,159,167,172,173,204,207,212,262,269,270,287,298,300,310,313,319,335,347,349,353,360,363,364,365,366,369,384,387,390,401,402,405,415,422,428,434,436,437,442,459,461,467,475,481,486,492,493,499,508,516,524,525,529,530,533,535,548,552,554,555,558,566,580,588,599,603,625,626,629,653,660,663,669,678,690,692,719,720,726,727,728,749,751,755,761,762,763,766,783,831,850,860,887,889,900,912,914,915,917,925,929,936,948,954,960,963,968,974,975,977,980,990 +0403_00481 34,35,75,134,144,151,153,170,196,207,226,227,251,279,326,350,353,373,390,403,420,515,516,544,550,605,626,640,647,677,689,714,719,771,772,867,906,948,963,968,977 +0403_00482 5,20,29,74,109,134,149,260,347,476,487,508,515,520,533,550,586,626,640,662,676,727,762,781,792,813,844,886,948,961,968 +0403_00483 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0403_00484 20,21,91,93,94,107,134,139,141,147,148,153,163,207,226,227,230,262,270,281,304,347,353,369,371,381,390,430,456,473,476,497,508,515,550,551,598,601,626,640,712,717,727,735,737,808,825,828,850,852,968,976,977,989,1006 +0403_00485 20,29,37,68,134,206,298,330,353,458,508,515,550,618,626,640,676,707,713,727,762,806,947,948,955,968 +0403_00486 36,96,134,145,278,349,421,487,491,508,550,579,825,829,850,964,968 +0403_00487 62,96,134,145,153,270,303,326,347,420,421,487,550,588,626,650,968 +0403_00488 20,28,83,94,96,107,134,153,207,244,248,272,366,370,372,383,389,472,479,487,503,508,516,522,550,603,624,626,631,654,657,662,684,686,714,727,739,762,778,786,797,802,812,881,893,896,948,968,978 +0403_00489 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0403_00490 2,20,94,134,169,212,220,226,233,353,367,454,456,508,515,550,578,590,626,635,640,727,732,758,897,948,968,998 +0403_00491 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0403_00492 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0403_00493 36,75,134,317,370,403,405,422,479,486,511,523,559,580,609,662,691,748,750,787,828,852,905,915,927,948,960,968,989,1006,1015 +0403_00494 18,20,62,94,128,137,153,159,270,283,332,366,439,480,497,501,508,516,530,584,626,727,734,778,826,871,927,948,994,1020 +0403_00495 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0403_00496 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0403_00497 20,64,96,134,141,153,207,256,269,272,287,341,372,383,389,407,479,481,487,503,508,530,550,601,603,615,654,662,714,727,762,776,778,786,797,812,893,896,947,968,989 +0403_00498 15,26,105,134,153,176,201,217,245,273,499,506,508,537,559,567,593,662,752,948,966,973,988,994 +0403_00499 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0403_00500 12,20,62,94,96,128,134,145,153,159,178,270,364,366,418,421,439,480,487,501,508,516,530,550,584,588,626,727,786,851,871,888,927,968,999,1015 +0403_00501 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +0403_00502 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0403_00503 77,107,134,142,153,199,260,293,330,333,347,356,372,383,421,465,479,481,505,515,522,541,549,550,591,654,662,704,762,778,786,797,812,813,833,896,913,940,948,968 +0403_00504 20,68,94,134,137,182,211,220,322,328,367,456,487,508,535,550,565,626,640,698,702,727,781,849,928,934,948,968 +0403_00505 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0403_00506 1,20,94,96,128,134,141,145,153,215,270,276,304,398,416,421,469,480,487,491,508,515,516,550,551,555,626,727,741,825,829,850,871,911,927,968,988,1010 +0403_00507 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0403_00508 20,96,107,134,153,248,272,341,372,383,389,429,440,479,481,487,495,503,508,516,522,550,603,654,662,684,714,727,762,778,786,797,812,893,896,968 +0403_00509 29,36,134,278,349,405,437,487,508,515,550,586,592,626,640,676,781,792,801,825,829,850,887,968 +0403_00510 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0403_00511 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0403_00512 96,134,153,255,272,360,372,383,389,425,479,487,503,516,522,550,603,654,662,697,714,762,778,786,797,802,812,813,891,893,896,940,948,968,998,1000 +0403_00513 12,17,18,20,49,73,85,89,93,101,121,134,141,153,178,197,200,216,220,270,281,282,300,302,311,326,339,347,351,353,387,442,461,493,508,515,530,533,550,557,562,563,580,602,614,620,626,640,676,689,705,719,727,728,733,743,765,786,805,850,936,947,951,954,968,970,974,1020 +0403_00514 62,96,134,145,153,167,187,270,278,311,421,487,508,516,550,588,606,668,743,804,811,850,908,968,970,981 +0403_00515 14,20,94,96,134,136,153,272,372,383,389,479,480,487,503,508,522,530,550,603,605,626,654,662,666,714,727,752,762,778,786,797,812,813,893,896,914,940,968,976 +0403_00516 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +0403_00517 4,20,21,33,80,94,134,153,165,185,191,204,220,223,227,247,294,332,360,405,421,438,455,457,461,480,487,488,493,506,508,513,518,519,529,530,591,593,594,615,626,638,660,662,681,685,689,727,752,756,786,802,835,846,849,855,880,901,915,936,948,968,976,978,991,993,994 +0403_00518 15,20,24,26,59,84,89,94,96,108,116,117,128,134,141,145,167,192,207,245,311,351,364,371,396,421,481,487,492,499,508,516,524,544,547,550,593,601,603,614,618,624,626,636,647,677,679,727,766,773,792,833,851,864,904,917,948,968,1007 +0403_00519 9,20,69,71,100,101,102,114,134,138,144,153,207,249,258,263,270,317,360,363,368,384,400,404,405,408,430,453,465,508,516,570,581,593,601,615,657,662,670,685,693,706,746,773,791,808,812,847,850,878,881,883,898,915,948,968,983,989,998,1012,1013 +0403_00520 134,205,220,226,353,369,381,406,476,515,542,550,626,640,654,686,802,811,948,968 +0403_00521 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0403_00522 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0403_00523 4,134,141,151,194,207,217,229,259,260,273,326,347,390,421,436,481,505,515,549,550,556,606,626,657,705,709,778,802,812,853,869,948,968,985 +0403_00524 105,134,153,182,220,283,328,353,367,487,546,550,565,626,640,781,909,934,948,968 +0403_00525 20,62,94,96,134,136,145,153,178,270,274,354,421,480,487,508,530,550,588,626,666,727,752,778,786,819,851,968,976,977 +0403_00526 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0403_00527 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0403_00528 1,20,134,139,153,231,251,270,281,291,300,347,458,508,522,549,550,620,626,640,676,702,727,733,927,947,948,968,970 +0403_00529 15,20,89,90,94,117,153,158,229,252,480,497,508,530,547,626,706,724,727,737,752,772,773,778,803,870,951,972,976,1008,1010 +0403_00530 134,223,283,353,405,474,487,500,503,514,550,561,566,577,580,585,589,605,626,640,701,725,738,781,847,867,935,968 +0403_00531 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0403_00532 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0403_00533 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0403_00534 17,62,134,260,266,347,425,505,515,549,590,626,640,676,699,778,813,948,950,968 +0403_00535 20,62,94,153,283,391,469,480,497,508,530,556,626,727,752,755,778,803,826,948,976,994 +0403_00536 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0403_00537 4,20,134,151,163,201,226,300,347,353,481,484,486,508,515,549,550,626,635,640,666,705,727,778,800,840,858,873,881,897,948,968,1004,1023 +0403_00538 20,62,94,107,153,196,207,225,231,269,283,329,390,411,454,508,531,556,626,707,727,755,778,826,948,994,1022 +0403_00539 96,134,153,272,326,342,372,383,389,408,479,487,503,522,550,603,626,654,662,666,675,714,762,778,786,797,812,813,853,893,896,940,968 +0403_00540 4,15,35,44,73,89,126,128,129,134,153,154,170,173,192,197,200,206,210,215,220,226,245,260,264,277,282,303,311,316,320,326,327,330,334,346,347,353,362,369,400,405,423,435,444,461,467,477,486,504,508,515,534,540,549,550,562,575,608,618,624,626,628,636,640,651,656,657,661,683,701,705,709,719,727,734,754,760,770,778,787,791,793,796,804,863,883,904,936,939,948,962,968,974,1023 +0403_00541 71,96,134,153,272,278,325,372,383,389,456,479,487,503,508,550,603,654,662,714,762,774,777,778,786,791,797,812,850,868,869,893,896,968,997 +0403_00542 134,138,220,226,304,325,344,353,417,453,474,508,515,542,550,556,626,640,654,657,686,697,745,802,819,937,948,968,989 +0403_00543 15,20,63,68,71,94,96,126,134,155,276,298,315,322,328,403,420,456,487,508,550,569,577,606,616,626,640,725,727,739,778,928,935,968 +0403_00544 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0403_00545 2,19,96,134,153,272,323,372,383,389,420,479,487,503,541,550,556,603,654,662,714,729,742,762,770,778,786,797,812,835,893,896,909,942,968 +0403_00546 7,17,20,62,74,95,133,134,146,153,172,198,220,226,227,236,270,343,360,430,461,498,508,516,522,532,539,542,550,551,553,643,686,727,751,772,778,826,869,879,948,968,994 +0403_00547 84,89,96,106,134,159,175,215,234,245,260,273,311,373,487,503,506,508,550,638,662,786,796,797,804,836,908,948,968 +0403_00548 20,45,62,85,94,96,134,145,153,178,199,270,312,354,421,480,487,497,508,530,550,588,626,727,752,778,786,803,851,968,976,977 +0403_00549 20,56,62,69,94,105,107,112,128,129,141,153,207,217,231,242,257,270,274,279,283,334,342,354,363,365,366,474,480,481,494,508,516,530,556,583,626,674,680,692,727,736,739,755,757,776,778,786,789,812,824,826,829,871,915,917,923,927,947,948,994 +0403_00550 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0403_00551 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0403_00552 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0403_00553 15,20,89,90,137,153,252,339,341,440,463,481,497,508,530,547,569,659,662,664,727,737,772,773,778,820,940,951,998,1008 +0403_00554 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0403_00555 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0403_00556 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0403_00557 18,20,62,94,128,137,153,159,270,283,366,439,480,497,501,508,516,530,556,584,626,727,734,755,778,781,826,871,918,927,948,994,1007 +0403_00558 96,112,134,189,205,223,390,427,452,479,487,503,550,566,662,678,705,719,786,797,968 +0403_00559 14,20,27,60,134,153,188,231,317,370,405,415,422,443,463,479,486,510,511,516,542,580,640,662,663,691,698,705,750,757,762,764,787,820,828,850,905,935,948,960,968,971,989,1001,1006 +0403_00560 44,48,74,105,134,220,317,366,367,405,406,408,422,479,515,532,596,599,662,686,744,787,795,797,948,968,1018 +0403_00561 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0403_00562 20,64,96,134,141,153,168,189,200,207,269,272,347,372,383,384,389,407,408,442,479,481,487,503,505,508,544,550,603,615,654,662,663,714,727,762,776,778,786,797,812,863,893,896,931,948,968,989,994 +0403_00563 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0403_00564 20,96,134,153,248,251,272,291,300,347,372,383,389,437,479,487,503,508,516,522,549,550,603,640,654,662,684,714,727,755,762,778,786,797,812,893,896,906,948,968 +0403_00565 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0403_00566 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0403_00567 20,62,124,128,138,140,153,171,207,224,272,283,306,319,347,358,370,387,434,437,497,508,511,526,530,556,575,627,640,700,727,733,748,755,778,781,826,827,833,918,919,948,994 +0403_00568 5,15,20,26,35,49,60,64,76,85,87,89,94,118,153,163,180,182,207,222,228,231,252,261,271,281,285,290,316,326,351,401,408,413,424,437,459,480,499,508,530,551,552,602,609,626,668,690,710,726,727,738,752,753,758,759,772,782,802,818,850,860,936,948,949,962,964,976,999,1009 +0403_00569 15,20,25,26,72,85,89,95,102,134,141,148,153,155,205,211,212,222,233,245,255,305,315,326,351,357,358,394,399,408,413,469,499,508,513,517,527,566,603,610,626,701,704,727,744,755,766,768,772,774,783,801,819,822,836,847,855,898,926,936,948,968,988,1009,1011,1019,1022 +0403_00570 25,96,134,136,139,145,146,172,188,202,236,245,257,305,381,421,461,467,485,487,508,516,530,545,550,560,577,578,595,609,626,736,749,781,802,824,873,907,908,924,935,968,971,991,1015 +0403_00571 20,62,134,138,151,153,219,229,245,265,347,394,430,473,508,544,550,592,620,626,635,640,665,676,727,733,879,897,947,948,966,968,994 +0403_00572 20,39,96,134,153,248,272,343,347,372,383,387,389,437,449,479,487,503,505,508,516,522,544,550,566,603,640,654,662,663,684,714,727,762,778,786,797,812,893,896,906,948,968,994 +0403_00573 15,20,89,108,134,144,151,153,154,160,171,190,207,230,240,254,263,291,347,365,433,434,445,460,461,474,481,492,505,508,510,516,540,544,663,687,714,727,741,761,762,767,781,802,807,878,896,914,948,958,960,968,994,1012 +0403_00574 4,5,15,20,26,45,60,71,76,80,85,87,89,92,99,146,153,159,163,207,215,222,223,231,236,243,252,270,285,290,314,316,360,366,398,401,413,424,426,437,459,479,491,497,499,503,508,516,524,530,551,580,594,602,609,614,626,668,690,697,726,727,738,758,759,772,801,802,808,818,837,850,860,909,936,948,964,970,976 +0403_00575 15,20,25,26,49,72,85,87,89,97,119,134,141,148,153,211,222,233,245,255,258,280,285,315,326,351,357,371,393,399,413,467,469,499,506,508,513,517,557,560,566,580,603,610,626,704,727,736,755,766,768,772,774,819,821,822,836,866,898,936,948,950,964,968,977,1009,1019,1022 +0403_00576 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 +0403_00577 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0403_00578 15,20,25,26,36,72,85,89,102,129,134,141,146,148,153,182,205,211,222,233,245,255,305,315,347,350,351,357,358,372,399,408,413,421,469,499,508,513,517,523,527,544,566,603,610,626,681,704,727,730,746,755,762,766,768,772,774,782,790,801,810,819,822,836,852,855,862,886,936,948,968,975,989,1009,1019,1022 +0403_00579 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0403_00580 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +0403_00581 20,62,94,153,165,187,207,231,254,261,416,480,508,526,530,589,626,727,752,778,809,826,866,876,948,972,977,994,1017 +0403_00582 4,134,148,201,226,304,315,347,353,362,366,515,516,538,549,550,626,640,666,669,705,712,735,778,825,850,858,931,948,968,970,990,999 +0403_00583 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0403_00584 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 diff --git a/processed_data/0403/0403_fingerprints_maccs_canonical_success.tsv b/processed_data/0403/0403_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..04aff507c --- /dev/null +++ b/processed_data/0403/0403_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,585 @@ +id bits.on +0403_00001 29,43,48,69,72,89,102,106,112,124,126,127,130,131,136,139,140,143,146,148,150,152,157,159,163,164,165 +0403_00002 29,43,48,53,54,57,69,72,83,89,90,91,96,102,104,106,109,112,123,124,126,127,128,130,131,132,136,137,138,139,140,143,146,148,150,152,153,155,157,159,164,165 +0403_00003 90,91,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00004 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00005 53,54,72,89,90,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00006 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00007 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00008 29,38,43,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00009 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00010 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00011 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00012 29,43,48,53,69,72,82,89,90,91,102,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00013 29,34,43,48,69,72,76,99,102,106,112,123,124,126,130,131,136,139,140,146,148,152,154,157,159,164 +0403_00014 29,43,48,54,69,72,89,90,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00015 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00016 29,43,48,54,69,72,89,90,91,102,104,106,109,112,124,126,128,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0403_00017 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00018 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00019 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00020 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00021 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00022 29,37,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00023 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00024 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00025 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0403_00026 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00027 53,54,66,72,89,90,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0403_00028 53,89,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00029 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0403_00030 54,72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00031 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00032 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00033 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00034 72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00035 53,89,123,131,136,139,140,146,154,157,159,160,164 +0403_00036 53,89,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00037 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00038 99,123,131,136,139,140,146,154,157,159,164 +0403_00039 99,123,131,136,139,140,146,154,157,159,164 +0403_00040 72,123,136,139,146,152,154,157,159,160,164 +0403_00041 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0403_00042 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0403_00043 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00044 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00045 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00046 53,89,90,114,123,131,136,139,140,146,154,155,157,159,160,164 +0403_00047 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00048 53,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00049 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00050 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00051 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00052 25,29,43,48,53,69,77,78,84,85,86,90,93,94,95,97,100,102,104,106,112,115,117,119,122,123,124,130,131,132,136,139,140,142,146,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00053 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0403_00054 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00055 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00056 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00057 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00058 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00059 90,91,93,104,108,116,118,123,126,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00060 53,72,82,88,90,123,131,132,136,139,146,152,153,154,155,157,159,164 +0403_00061 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0403_00062 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0403_00063 29,43,48,53,69,89,102,104,106,112,123,124,130,131,132,136,139,140,146,148,153,154,155,157,159,164 +0403_00064 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00065 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00066 34,50,76,90,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00067 50,76,99,123,131,136,139,140,146,154,157,159,160,164 +0403_00068 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00069 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0403_00070 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00071 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00072 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00073 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0403_00074 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0403_00075 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0403_00076 72,136,149,152,154,159,160,164 +0403_00077 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00078 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0403_00079 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0403_00080 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00081 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00082 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00083 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0403_00084 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00085 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00086 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0403_00087 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00088 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0403_00089 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00090 90,91,104,115,116,123,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00091 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00092 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00093 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0403_00094 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00095 29,38,43,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00096 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0403_00097 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0403_00098 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0403_00099 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0403_00100 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00101 53,54,72,82,89,90,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0403_00102 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00103 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0403_00104 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00105 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0403_00106 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00107 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00108 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0403_00109 39,40,48,51,53,55,58,60,61,67,69,73,82,88,89,90,102,104,106,109,112,124,130,131,132,136,138,139,140,146,147,148,153,155,157,159,164 +0403_00110 50,53,54,72,76,89,90,91,99,104,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00111 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0403_00112 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00113 53,54,57,72,83,89,96,123,127,131,136,137,139,140,143,146,150,152,154,157,159,164,165 +0403_00114 53,54,57,72,76,82,83,89,91,96,99,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0403_00115 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00116 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0403_00117 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0403_00118 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0403_00119 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00120 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,147,152,153,154,155,157,159,164 +0403_00121 54,72,123,131,139,146,152,154,157,159,160,164 +0403_00122 54,72,123,131,139,146,152,154,157,159,160,164 +0403_00123 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00124 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0403_00125 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00126 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00127 37,43,53,77,82,84,90,91,97,100,104,106,110,111,117,123,131,132,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00128 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0403_00129 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0403_00130 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0403_00131 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0403_00132 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0403_00133 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0403_00134 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00135 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00136 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00137 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0403_00138 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0403_00139 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00140 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0403_00141 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0403_00142 50,54,72,76,89,90,99,104,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00143 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0403_00144 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00145 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0403_00146 82,84,90,91,95,100,104,123,129,131,132,136,139,146,147,151,152,153,154,155,157,158,159,161,164 +0403_00147 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00148 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00149 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00150 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00151 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0403_00152 53,54,57,72,82,89,90,91,98,109,123,127,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00153 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00154 30,49,74,84,85,86,90,91,93,95,100,104,108,111,112,115,116,118,122,123,129,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0403_00155 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00156 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0403_00157 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0403_00158 53,54,57,72,82,89,90,91,98,104,109,123,127,128,131,132,137,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00159 53,54,66,72,74,89,90,104,112,116,123,131,132,136,139,140,146,149,152,154,155,157,159,160,164 +0403_00160 25,43,77,78,84,90,95,100,104,106,119,123,131,132,139,142,151,153,154,155,156,157,158,159,161,164 +0403_00161 37,38,43,53,54,77,79,80,83,84,89,92,95,96,97,106,110,117,120,121,127,131,133,136,137,142,143,146,150,151,154,156,158,159,161,164,165 +0403_00162 39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,88,89,102,106,112,113,123,124,127,130,131,136,139,140,143,144,146,148,150,152,154,157,159,162,163,164,165 +0403_00163 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 +0403_00164 84,92,99,110,117,123,131,136,139,146,151,154,156,157,158,159,161,164 +0403_00165 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0403_00166 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00167 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00168 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00169 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53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00217 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00218 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00219 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,123,124,126,127,130,131,136,139,140,143,146,148,152,154,157,159,162,163,164,165 +0403_00220 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,123,124,126,127,130,131,136,139,140,143,146,148,152,154,157,159,162,163,164,165 +0403_00221 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00222 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00223 54,72,90,104,114,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00224 53,82,89,90,109,115,123,131,139,146,153,154,155,157,159,160,164 +0403_00225 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0403_00226 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00227 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00228 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0403_00229 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0403_00230 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0403_00231 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0403_00232 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00233 53,89,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0403_00234 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0403_00235 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0403_00236 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00237 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0403_00238 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00239 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00240 54,84,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,160,161,164 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53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00257 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00258 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00259 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00260 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00261 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00262 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00263 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0403_00264 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00265 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00266 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00267 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00268 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00269 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00270 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0403_00271 54,82,90,91,92,95,100,104,110,111,117,118,123,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00272 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00273 90,104,115,116,123,132,136,139,146,147,152,154,155,157,159,160,164 +0403_00274 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00275 29,38,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 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37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,144,150,151,154,156,159,160,161,162,163,164,165 +0403_00388 37,43,53,77,80,82,89,90,92,97,98,100,106,110,115,117,120,121,127,131,136,137,142,143,150,151,153,154,156,158,159,160,161,163,164,165 +0403_00389 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0403_00390 72,93,104,113,123,126,127,131,132,139,140,143,144,146,150,152,154,155,157,159,160,162,163,164,165 +0403_00391 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00392 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0403_00393 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0403_00394 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43,54,72,89,92,95,110,117,123,131,136,139,140,146,151,154,156,157,158,159,161,162,163,164,165 +0403_00402 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0403_00403 81,88,154,160,164 +0403_00404 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0403_00405 54,72,74,90,104,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0403_00406 54,72,74,90,104,115,123,131,132,139,146,149,152,154,155,157,159,160,164 +0403_00407 54,72,90,91,114,115,123,131,139,146,149,152,154,155,157,159,160,164 +0403_00408 89,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0403_00409 50,54,76,82,92,95,99,100,104,108,110,117,123,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0403_00410 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 +0403_00411 54,82,90,92,95,100,104,108,110,114,115,117,123,128,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0403_00412 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0403_00413 72,123,136,139,146,152,154,157,159,162,163,164,165 +0403_00414 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0403_00415 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00416 53,54,65,75,77,79,80,83,84,85,90,91,92,95,96,100,104,110,111,117,118,120,121,122,127,128,131,132,136,137,140,142,143,146,147,148,150,151,153,154,155,156,158,159,161,162,164,165 +0403_00417 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0403_00418 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00419 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0403_00420 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0403_00421 24,53,68,69,71,72,89,92,94,97,102,110,113,117,124,127,131,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00422 82,86,93,100,104,111,113,115,116,127,131,139,143,147,151,152,153,155,157,158,160,161,162,163,164,165 +0403_00423 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0403_00424 1,54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00425 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00426 90,104,113,123,127,131,132,139,143,144,146,150,152,154,155,157,159,162,163,164,165 +0403_00427 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0403_00428 113,127,139,143,152,154,157,159,162,163,164,165 +0403_00429 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0403_00430 24,49,54,56,63,70,71,84,90,94,95,102,104,111,119,122,123,124,130,131,133,135,136,139,140,142,146,148,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00431 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0403_00432 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0403_00433 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0403_00434 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00435 53,54,82,89,92,95,97,100,104,110,113,117,123,127,131,132,136,139,140,143,144,146,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00436 72,74,90,115,123,132,136,139,146,149,152,154,155,157,159,160,164 +0403_00437 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0403_00438 39,40,48,55,58,60,61,65,67,69,73,83,88,95,96,97,102,105,106,112,113,121,124,126,127,130,131,136,137,139,140,143,146,148,151,152,156,157,159,161,162,163,164,165 +0403_00439 90,104,113,123,127,131,132,139,143,146,147,152,154,155,157,159,162,163,164,165 +0403_00440 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00441 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0403_00442 49,54,79,82,91,92,95,100,108,110,117,123,131,132,136,142,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00443 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00444 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0403_00445 37,43,54,77,79,83,90,91,96,104,106,108,110,111,116,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,150,151,154,155,156,157,158,159,160,161,164,165 +0403_00446 24,49,56,63,70,71,94,102,113,119,122,124,127,130,133,135,139,143,146,148,152,156,157,158,159,161,162,163,164,165 +0403_00447 65,83,90,91,93,96,104,105,113,121,123,126,127,131,132,137,139,143,146,151,152,154,155,156,157,159,160,161,162,163,164,165 +0403_00448 72,93,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00449 72,93,104,113,123,126,127,132,139,140,143,144,146,149,150,152,154,155,157,159,160,162,163,164,165 +0403_00450 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0403_00451 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0403_00452 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38,54,57,62,65,72,75,77,79,80,83,84,85,89,92,95,96,97,98,105,110,117,120,121,122,127,131,133,135,137,139,142,143,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0403_00460 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0403_00461 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0403_00462 82,91,109,113,127,131,139,143,152,153,155,157,159,162,163,164,165 +0403_00463 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00464 54,72,113,127,131,139,143,144,150,152,157,159,162,163,164,165 +0403_00465 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,124,126,127,130,136,139,140,143,146,148,152,157,159,160,162,163,164,165 +0403_00466 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0403_00467 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0403_00468 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0403_00469 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0403_00470 90,91,104,113,123,127,131,132,139,143,144,146,147,150,152,154,155,157,159,162,163,164,165 +0403_00471 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00472 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00473 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00474 74,90,104,115,116,123,132,139,147,149,154,155,157,159,160,164 +0403_00475 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0403_00476 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00477 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00478 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00479 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0403_00480 29,38,43,48,50,53,54,57,62,65,66,69,72,74,75,76,77,79,80,81,82,83,84,85,88,89,90,91,92,95,96,97,98,99,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00481 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0403_00482 89,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0403_00483 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0403_00484 54,72,90,91,99,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,155,157,159,162,163,164,165 +0403_00485 53,89,113,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00486 154,162,163,164,165 +0403_00487 82,109,139,153,155,157,162,163,164,165 +0403_00488 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00489 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00490 113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00491 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0403_00492 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00493 38,47,59,64,65,77,79,80,81,83,88,93,96,98,105,120,121,137,142,151,156,160,161,162,163,165 +0403_00494 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00495 99,123,139,154,157,159,162,163,164,165 +0403_00496 99,123,139,154,157,159,162,163,164,165 +0403_00497 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0403_00498 66,83,89,90,91,92,96,104,110,111,112,114,115,116,117,121,127,132,136,137,143,149,150,151,154,155,156,158,159,160,161,164,165 +0403_00499 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0403_00500 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00501 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0403_00502 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0403_00503 65,82,83,84,90,91,93,96,100,104,105,111,113,121,126,127,131,137,142,143,147,151,152,153,155,156,157,158,160,161,162,163,164,165 +0403_00504 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00505 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00506 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00507 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0403_00508 65,83,84,90,91,92,96,104,105,110,111,117,121,131,132,137,142,151,154,155,156,158,161,162,163,164,165 +0403_00509 113,127,139,143,152,154,157,159,162,163,164,165 +0403_00510 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0403_00511 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0403_00512 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0403_00513 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0403_00514 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0403_00515 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0403_00516 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00517 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0403_00518 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0403_00519 21,24,36,38,43,45,47,49,56,63,65,70,71,74,76,77,79,81,82,83,85,86,88,90,91,93,94,96,97,99,100,102,104,108,111,115,119,120,121,122,124,128,129,130,131,137,138,141,142,147,148,149,151,153,155,156,158,159,160,161,162,164,165 +0403_00520 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0403_00521 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0403_00522 90,114,123,139,154,155,157,159,160,162,163,164,165 +0403_00523 54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0403_00524 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0403_00525 90,91,104,118,123,132,139,147,154,155,157,159,162,163,164,165 +0403_00526 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0403_00527 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00528 93,113,116,123,126,127,132,139,143,146,152,154,155,157,159,160,162,163,164,165 +0403_00529 14,36,67,81,83,88,90,91,96,104,118,120,123,124,128,129,132,137,139,147,153,154,155,157,159,164,165 +0403_00530 65,95,98,105,113,121,125,127,137,139,143,145,152,156,157,161,162,163,164,165 +0403_00531 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0403_00532 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00533 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0403_00534 89,93,113,126,127,139,143,146,149,152,157,159,160,162,163,164,165 +0403_00535 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00536 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0403_00537 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0403_00538 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0403_00539 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0403_00540 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0403_00541 65,83,90,91,96,105,121,132,137,151,154,155,156,161,162,163,164,165 +0403_00542 24,49,56,63,70,71,89,94,95,102,113,119,122,124,127,130,133,135,139,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0403_00543 53,89,105,113,123,125,127,131,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0403_00544 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0403_00545 41,65,83,90,91,96,105,111,121,137,142,151,155,156,161,162,163,165 +0403_00546 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0403_00547 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0403_00548 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0403_00549 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00550 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00551 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00552 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00553 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0403_00554 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0403_00555 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0403_00556 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00557 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00558 65,83,96,105,121,137,151,156,161,162,163,165 +0403_00559 38,50,54,65,74,76,77,79,80,82,83,91,96,98,99,100,105,116,120,121,131,133,135,137,142,149,151,153,155,156,158,160,161,162,163,165 +0403_00560 65,77,79,83,96,105,120,121,137,142,144,149,150,151,156,160,161,162,163,165 +0403_00561 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00562 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00563 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0403_00564 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0403_00565 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00566 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0403_00567 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0403_00568 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0403_00569 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00570 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,131,133,135,136,139,145,146,148,151,156,158,159,161,162,163,164,165 +0403_00571 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0403_00572 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 +0403_00573 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00574 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00575 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00576 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +0403_00577 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0403_00578 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00579 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0403_00580 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00581 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0403_00582 72,93,99,113,126,127,139,143,144,149,150,152,157,159,160,162,163,164,165 +0403_00583 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00584 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 diff --git a/processed_data/0403/0403_fingerprints_maccs_isomeric_success.tsv b/processed_data/0403/0403_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..68ca69565 --- /dev/null +++ b/processed_data/0403/0403_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,585 @@ +id bits.on +0403_00001 29,43,48,69,72,89,102,106,112,124,126,127,130,131,136,139,140,143,146,148,150,152,157,159,163,164,165 +0403_00002 29,43,48,53,54,57,69,72,83,89,90,91,96,102,104,106,109,112,123,124,126,127,128,130,131,132,136,137,138,139,140,143,146,148,150,152,153,155,157,159,164,165 +0403_00003 90,91,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00004 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00005 53,54,72,89,90,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00006 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00007 50,76,90,91,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00008 29,38,43,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00009 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00010 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00011 29,37,38,43,48,53,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00012 29,43,48,53,69,72,82,89,90,91,102,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00013 29,34,43,48,69,72,76,99,102,106,112,123,124,126,130,131,136,139,140,146,148,152,154,157,159,164 +0403_00014 29,43,48,54,69,72,89,90,102,104,106,109,112,123,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00015 29,37,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00016 29,43,48,54,69,72,89,90,91,102,104,106,109,112,124,126,128,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0403_00017 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00018 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00019 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00020 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00021 53,54,72,89,90,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00022 29,37,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00023 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00024 29,43,48,54,69,84,89,90,95,102,104,106,109,111,112,123,124,126,130,131,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00025 29,43,48,53,54,69,72,82,89,90,91,102,104,106,109,112,124,126,130,131,132,136,138,139,140,146,148,152,153,154,155,157,159,164 +0403_00026 29,43,48,53,54,69,72,89,90,91,102,104,106,109,112,124,126,130,131,132,136,139,140,146,148,152,153,154,155,157,159,164 +0403_00027 53,54,66,72,89,90,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0403_00028 53,89,91,104,123,131,132,136,139,140,146,152,154,155,157,159,164 +0403_00029 29,43,48,53,54,57,69,72,83,89,90,91,96,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,164,165 +0403_00030 54,72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00031 29,37,43,48,53,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00032 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00033 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00034 72,90,91,104,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00035 53,89,123,131,136,139,140,146,154,157,159,160,164 +0403_00036 53,89,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00037 90,104,123,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00038 99,123,131,136,139,140,146,154,157,159,164 +0403_00039 99,123,131,136,139,140,146,154,157,159,164 +0403_00040 72,123,136,139,146,152,154,157,159,160,164 +0403_00041 53,66,89,91,104,112,115,123,131,132,136,139,140,146,152,154,155,157,159,160,164 +0403_00042 53,54,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,146,151,154,155,156,157,158,159,160,161,164 +0403_00043 54,72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00044 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00045 90,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00046 53,89,90,114,123,131,136,139,140,146,154,155,157,159,160,164 +0403_00047 29,37,43,48,53,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00048 53,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00049 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00050 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00051 53,54,72,89,123,131,136,139,140,146,152,154,157,159,164 +0403_00052 25,29,43,48,53,69,77,78,84,85,86,90,93,94,95,97,100,102,104,106,112,115,117,119,122,123,124,130,131,132,136,139,140,142,146,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00053 29,43,48,53,69,72,82,89,90,91,102,106,109,112,124,126,130,131,132,138,139,140,146,148,152,153,155,157,159,164 +0403_00054 29,37,38,43,48,53,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00055 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0403_00056 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00057 90,91,104,115,116,123,131,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00058 91,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00059 90,91,93,104,108,116,118,123,126,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00060 53,72,82,88,90,123,131,132,136,139,146,152,153,154,155,157,159,164 +0403_00061 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0403_00062 29,43,48,53,54,57,69,72,82,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0403_00063 29,43,48,53,69,89,102,104,106,112,123,124,130,131,132,136,139,140,146,148,153,154,155,157,159,164 +0403_00064 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00065 39,40,48,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,106,111,112,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00066 34,50,76,90,99,104,123,131,132,136,139,140,146,154,155,157,159,164 +0403_00067 50,76,99,123,131,136,139,140,146,154,157,159,160,164 +0403_00068 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00069 53,54,84,89,95,123,131,136,139,140,146,151,154,156,157,158,159,161,164 +0403_00070 50,76,91,99,104,115,123,131,132,136,139,140,146,154,155,157,159,160,164 +0403_00071 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00072 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00073 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0403_00074 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0403_00075 53,54,84,90,95,97,104,111,123,131,132,136,139,140,146,151,154,155,156,157,158,159,161,164 +0403_00076 72,136,149,152,154,159,160,164 +0403_00077 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00078 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0403_00079 53,54,72,82,89,90,91,109,123,131,132,136,139,140,146,152,153,154,155,157,159,164 +0403_00080 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00081 54,84,90,91,95,104,111,118,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0403_00082 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00083 54,90,91,93,95,104,108,111,116,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 +0403_00084 53,54,57,72,89,98,123,127,131,137,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00085 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00086 37,38,43,53,54,77,80,84,95,97,106,110,117,123,131,136,139,140,142,146,151,154,156,157,158,159,161,164 +0403_00087 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00088 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0403_00089 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00090 90,91,104,115,116,123,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0403_00091 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00092 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00093 29,43,48,53,69,82,84,90,97,100,102,104,106,111,112,124,130,131,132,138,139,146,147,148,151,153,155,158,159,161,164 +0403_00094 40,51,53,54,55,58,60,61,67,69,73,84,88,90,95,97,102,104,111,123,124,130,131,132,136,139,140,146,148,151,153,154,155,156,157,158,159,161,164 +0403_00095 29,38,43,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00096 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,144,146,150,151,154,156,157,159,161,162,163,164,165 +0403_00097 25,43,77,78,84,90,91,95,97,104,106,111,119,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,164 +0403_00098 29,43,48,69,82,84,90,91,95,100,102,104,106,109,111,112,124,126,130,131,132,138,139,140,146,147,148,151,153,155,157,158,159,161,164 +0403_00099 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0403_00100 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00101 53,54,72,82,89,90,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0403_00102 25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00103 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,152,153,154,155,157,159,164 +0403_00104 29,37,38,43,48,57,62,65,69,72,75,77,80,83,84,85,89,90,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00105 39,40,48,53,54,55,57,58,60,61,67,69,72,73,84,88,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,136,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0403_00106 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00107 25,29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00108 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0403_00109 39,40,48,51,53,55,58,60,61,67,69,73,82,88,89,90,102,104,106,109,112,124,130,131,132,136,138,139,140,146,147,148,153,155,157,159,164 +0403_00110 50,53,54,72,76,89,90,91,99,104,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00111 29,38,43,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,102,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0403_00112 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00113 53,54,57,72,83,89,96,123,127,131,136,137,139,140,143,146,150,152,154,157,159,164,165 +0403_00114 53,54,57,72,76,82,83,89,91,96,99,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0403_00115 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00116 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0403_00117 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0403_00118 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0403_00119 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00120 53,54,72,82,89,90,91,104,109,123,131,132,139,140,146,147,152,153,154,155,157,159,164 +0403_00121 54,72,123,131,139,146,152,154,157,159,160,164 +0403_00122 54,72,123,131,139,146,152,154,157,159,160,164 +0403_00123 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00124 54,84,86,88,90,91,95,104,111,123,131,132,136,138,139,140,146,151,153,154,155,156,157,158,159,161,164 +0403_00125 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00126 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00127 37,43,53,77,82,84,90,91,97,100,104,106,110,111,117,123,131,132,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00128 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0403_00129 54,79,82,84,91,92,95,100,104,110,111,117,123,129,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0403_00130 53,54,72,82,84,89,90,91,95,97,104,109,123,131,132,139,140,146,151,152,153,154,155,156,157,158,159,161,164 +0403_00131 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0403_00132 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0403_00133 54,82,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,157,158,159,161,164 +0403_00134 29,37,38,43,48,57,62,65,69,72,75,77,80,82,83,84,85,89,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00135 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00136 29,30,37,38,48,49,54,57,62,65,69,72,74,75,77,80,83,84,85,86,89,90,91,92,93,95,96,97,98,100,102,106,109,110,111,112,113,115,116,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00137 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0403_00138 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0403_00139 32,33,51,54,58,60,61,67,69,73,84,86,88,90,91,93,94,95,102,104,111,112,115,116,117,119,123,124,130,131,132,136,139,142,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00140 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0403_00141 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0403_00142 50,54,72,76,89,90,99,104,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0403_00143 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0403_00144 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00145 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0403_00146 82,84,90,91,95,100,104,123,129,131,132,136,139,146,147,151,152,153,154,155,157,158,159,161,164 +0403_00147 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00148 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00149 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00150 53,54,82,83,90,91,95,96,97,100,104,111,121,123,127,131,132,137,139,143,146,151,152,153,154,156,157,158,159,161,164,165 +0403_00151 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0403_00152 1,53,54,57,72,82,89,90,91,98,109,112,123,127,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00153 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 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39,40,48,51,53,55,58,59,60,61,64,67,69,73,81,88,89,102,106,112,113,123,124,127,130,131,136,139,140,143,144,146,148,150,152,154,157,159,162,163,164,165 +0403_00163 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 +0403_00164 84,92,99,110,117,123,131,136,139,146,151,154,156,157,158,159,161,164 +0403_00165 22,54,66,84,90,95,104,111,112,123,131,133,139,151,154,156,157,158,159,161,164,165 +0403_00166 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00167 53,54,82,89,90,92,95,104,108,109,110,111,117,123,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00168 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00169 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0403_00170 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0403_00171 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0403_00172 54,84,90,91,95,97,104,109,111,118,123,126,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00173 53,54,80,84,90,92,95,97,104,108,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,164 +0403_00174 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0403_00175 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0403_00176 54,66,74,84,95,112,123,131,139,149,151,154,156,157,158,159,160,161,164 +0403_00177 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0403_00178 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0403_00179 53,82,84,90,97,100,115,123,131,139,151,153,154,155,157,158,159,160,161,164 +0403_00180 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0403_00181 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0403_00182 30,49,74,85,86,93,100,108,111,112,115,116,118,122,123,132,141,147,148,149,153,154,155,157,158,159,160,161,164 +0403_00183 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00184 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00185 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00186 53,54,57,72,82,84,89,90,91,95,97,98,109,123,127,131,132,133,137,139,140,143,146,150,151,152,153,155,156,157,158,159,161,163,164,165 +0403_00187 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53,84,97,113,123,127,131,133,135,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00217 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00218 54,84,95,113,123,127,131,139,143,146,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00219 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,123,124,126,127,130,131,136,139,140,143,146,148,152,154,157,159,162,163,164,165 +0403_00220 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,123,124,126,127,130,131,136,139,140,143,146,148,152,154,157,159,162,163,164,165 +0403_00221 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00222 53,89,104,115,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00223 54,72,90,104,114,123,131,132,139,146,152,154,155,157,159,160,164 +0403_00224 53,82,89,90,109,115,123,131,139,146,153,154,155,157,159,160,164 +0403_00225 53,54,57,72,82,83,89,91,96,104,109,123,127,131,132,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0403_00226 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00227 53,82,84,90,97,100,104,111,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0403_00228 82,84,90,91,100,118,123,129,131,139,147,151,153,154,155,157,158,159,161,163,164,165 +0403_00229 53,54,79,82,84,90,95,97,100,104,111,123,131,139,142,151,153,154,155,156,157,158,159,161,164 +0403_00230 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0403_00231 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0403_00232 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00233 53,89,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0403_00234 37,43,53,54,65,77,80,89,92,95,97,98,106,110,113,117,120,121,123,127,131,136,137,139,140,142,143,146,151,154,156,157,159,161,162,163,164,165 +0403_00235 53,65,77,79,83,96,97,104,111,120,121,123,131,132,137,139,142,151,154,155,156,157,159,161,162,164,165 +0403_00236 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00237 19,53,54,57,72,83,89,90,91,96,98,105,109,120,123,127,131,132,137,139,140,143,146,150,152,153,157,159,163,164,165 +0403_00238 25,43,77,78,84,85,86,90,93,95,100,104,106,115,119,122,123,131,132,139,142,148,151,153,154,155,156,157,158,159,160,161,164 +0403_00239 25,38,43,54,65,77,79,80,82,84,90,91,92,95,97,98,100,104,105,106,110,111,113,117,120,121,123,125,127,131,132,133,135,136,137,139,140,142,143,145,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00240 54,84,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,160,161,164 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25,29,38,43,48,53,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00249 53,54,72,89,131,139,140,146,152,154,157,159,160,164 +0403_00250 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0403_00251 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0403_00252 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00253 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0403_00254 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00255 54,72,91,104,113,123,127,131,132,139,140,143,144,146,150,152,154,155,157,159,162,163,164,165 +0403_00256 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00257 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00258 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00259 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0403_00260 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00261 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00262 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00263 54,72,113,123,127,131,139,140,143,146,152,154,157,159,162,163,164,165 +0403_00264 54,84,89,90,95,104,109,111,116,123,126,131,136,139,140,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00265 54,82,84,90,91,92,95,100,104,108,110,111,117,118,123,129,131,136,139,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00266 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00267 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00268 53,54,57,72,82,83,89,90,91,96,98,104,109,112,120,123,126,127,128,131,132,137,138,139,140,143,146,150,152,153,155,157,159,163,164,165 +0403_00269 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00270 53,54,57,72,82,89,90,91,98,104,109,123,126,127,131,132,137,138,139,140,143,146,150,152,153,154,155,157,159,163,164,165 +0403_00271 54,82,90,91,92,95,100,104,110,111,117,118,123,128,129,131,132,136,139,140,146,147,151,153,154,155,156,157,158,159,161,164 +0403_00272 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00273 90,104,115,116,123,132,136,139,146,147,152,154,155,157,159,160,164 +0403_00274 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00275 29,38,48,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,123,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 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29,38,45,48,50,53,54,57,62,65,69,72,75,76,77,79,80,83,84,85,89,90,91,92,95,96,97,98,99,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00282 53,54,57,72,82,83,89,90,91,96,98,109,112,120,123,126,127,128,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0403_00283 29,38,48,49,53,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,125,126,127,130,131,132,133,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00284 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0403_00285 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53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,142,146,151,153,154,155,156,157,158,159,161,164 +0403_00293 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,126,127,131,132,133,136,137,139,140,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00294 39,40,48,55,58,60,61,67,69,73,88,90,102,106,109,112,114,124,126,130,136,139,140,146,148,153,155,157,159,160,164 +0403_00295 29,38,43,48,53,54,57,62,65,66,69,72,74,75,77,79,80,82,83,84,85,88,89,90,91,92,95,96,97,98,100,102,104,105,106,109,110,111,112,115,117,118,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00296 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0403_00297 54,57,72,82,83,89,96,104,109,123,127,131,132,136,137,139,140,143,146,150,152,153,154,155,157,159,164,165 +0403_00298 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29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,123,124,126,127,128,129,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00305 39,40,48,55,58,60,61,67,69,72,73,88,93,102,104,106,112,113,123,124,126,127,130,131,132,136,139,140,143,144,146,148,150,152,154,155,157,159,160,162,163,164,165 +0403_00306 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0403_00307 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00308 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00309 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 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54,84,90,91,95,104,111,114,115,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0403_00328 1,54,81,84,86,88,90,91,93,95,104,111,112,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00329 54,72,84,90,91,95,104,111,113,123,127,131,139,140,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0403_00330 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0403_00331 82,84,90,91,92,100,104,108,110,111,116,117,118,129,131,138,142,147,151,153,154,155,156,158,160,161,164 +0403_00332 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00333 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0403_00334 54,66,72,90,104,112,114,116,123,131,132,139,146,149,152,154,155,157,159,160,164 +0403_00335 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54,65,83,84,90,91,95,96,104,105,111,113,121,123,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0403_00382 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,127,130,131,132,133,135,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0403_00383 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00384 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0403_00385 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65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0403_00430 24,49,54,56,63,70,71,84,90,94,95,102,104,111,119,122,123,124,130,131,133,135,136,139,140,142,146,148,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00431 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0403_00432 53,65,82,89,91,95,97,98,109,113,121,123,127,131,137,139,140,143,144,146,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0403_00433 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0403_00434 1,54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,144,150,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00435 53,54,82,89,92,95,97,100,104,110,113,117,123,127,131,132,136,139,140,143,144,146,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00436 72,74,90,115,123,132,136,139,146,149,152,154,155,157,159,160,164 +0403_00437 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0403_00438 39,40,48,55,58,60,61,65,67,69,73,83,88,95,96,97,102,105,106,112,113,121,124,126,127,130,131,136,137,139,140,143,146,148,151,152,156,157,159,161,162,163,164,165 +0403_00439 90,104,113,123,127,131,132,139,143,146,147,152,154,155,157,159,162,163,164,165 +0403_00440 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00441 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0403_00442 49,54,79,82,91,92,95,100,108,110,117,123,131,132,136,142,146,151,153,154,155,156,157,158,159,160,161,164 +0403_00443 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0403_00444 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54,82,92,95,100,104,110,117,123,131,132,136,139,144,146,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00459 38,54,57,62,65,72,75,77,79,80,83,84,85,89,92,95,96,97,98,105,110,117,120,121,122,127,131,133,135,137,139,142,143,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0403_00460 54,82,84,95,100,104,131,132,139,151,152,153,155,157,158,161,162,163,164,165 +0403_00461 53,54,57,72,82,89,90,91,98,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0403_00462 82,91,109,113,127,131,139,143,152,153,155,157,159,162,163,164,165 +0403_00463 53,89,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00464 54,72,113,127,131,139,143,144,150,152,157,159,162,163,164,165 +0403_00465 39,40,48,55,58,60,61,67,69,73,88,102,106,112,113,124,126,127,130,136,139,140,143,146,148,152,157,159,160,162,163,164,165 +0403_00466 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0403_00467 65,83,90,91,96,97,104,105,111,118,121,127,132,137,143,144,147,151,152,154,156,161,162,163,164,165 +0403_00468 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0403_00469 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0403_00470 90,91,104,113,123,127,131,132,139,143,144,146,147,150,152,154,155,157,159,162,163,164,165 +0403_00471 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0403_00472 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00473 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54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00489 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0403_00490 113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00491 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0403_00492 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00493 38,47,59,64,65,77,79,80,81,83,88,93,96,98,105,120,121,137,142,151,156,160,161,162,163,165 +0403_00494 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00495 99,123,139,154,157,159,162,163,164,165 +0403_00496 99,123,139,154,157,159,162,163,164,165 +0403_00497 54,65,79,83,84,90,91,92,95,96,104,105,110,111,117,121,131,137,142,151,154,155,156,158,161,162,163,164,165 +0403_00498 66,83,89,90,91,92,96,104,110,111,112,114,115,116,117,121,127,132,136,137,143,149,150,151,154,155,156,158,159,160,161,164,165 +0403_00499 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0403_00500 54,82,90,92,95,100,104,110,111,117,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00501 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0403_00502 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0403_00503 65,82,83,84,90,91,93,96,100,104,105,111,113,121,126,127,131,137,142,143,147,151,152,153,155,156,157,158,160,161,162,163,164,165 +0403_00504 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0403_00505 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00506 54,82,92,95,99,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0403_00507 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0403_00508 65,83,84,90,91,92,96,104,105,110,111,117,121,131,132,137,142,151,154,155,156,158,161,162,163,164,165 +0403_00509 113,127,139,143,152,154,157,159,162,163,164,165 +0403_00510 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0403_00511 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0403_00512 65,82,83,86,90,91,93,96,100,104,105,111,115,116,121,131,137,142,147,151,153,155,156,158,160,161,162,163,165 +0403_00513 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0403_00514 82,100,110,117,151,153,154,155,158,161,162,163,164,165 +0403_00515 65,83,90,91,96,104,105,118,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0403_00516 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00517 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0403_00518 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0403_00519 21,24,36,38,43,45,47,49,56,63,65,70,71,74,76,77,79,81,82,83,85,86,88,90,91,93,94,96,97,99,100,102,104,108,111,115,119,120,121,122,124,128,129,130,131,137,138,141,142,147,148,149,151,153,155,156,158,159,160,161,162,164,165 +0403_00520 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0403_00521 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0403_00522 90,114,123,139,154,155,157,159,160,162,163,164,165 +0403_00523 54,84,89,93,95,113,126,127,131,139,141,143,144,146,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0403_00524 54,72,113,127,131,139,143,144,150,152,157,159,160,162,163,164,165 +0403_00525 90,91,104,118,123,132,139,147,154,155,157,159,162,163,164,165 +0403_00526 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0403_00527 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00528 93,113,116,123,126,127,132,139,143,146,152,154,155,157,159,160,162,163,164,165 +0403_00529 14,36,67,81,83,88,90,91,96,104,118,120,123,124,128,129,132,137,139,147,153,154,155,157,159,164,165 +0403_00530 65,95,98,105,113,121,125,127,137,139,143,145,152,156,157,161,162,163,164,165 +0403_00531 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0403_00532 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00533 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0403_00534 89,93,113,126,127,139,143,146,149,152,157,159,160,162,163,164,165 +0403_00535 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00536 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0403_00537 72,93,113,123,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0403_00538 54,72,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0403_00539 65,82,83,90,91,96,104,105,109,121,131,132,137,139,147,151,153,155,156,157,161,162,163,164,165 +0403_00540 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0403_00541 65,83,90,91,96,105,121,132,137,151,154,155,156,161,162,163,164,165 +0403_00542 24,49,56,63,70,71,89,94,95,102,113,119,122,124,127,130,133,135,139,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0403_00543 53,89,105,113,123,125,127,131,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0403_00544 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0403_00545 41,65,83,90,91,96,105,111,121,137,142,151,155,156,161,162,163,165 +0403_00546 32,33,37,43,51,55,58,59,60,61,64,67,69,73,77,81,82,88,89,90,91,94,97,100,102,104,106,110,111,112,114,115,116,117,118,124,130,131,136,142,146,147,148,149,151,153,154,155,156,158,159,160,161,162,163,164,165 +0403_00547 83,92,96,105,110,117,121,127,135,137,143,144,150,151,154,156,158,160,161,162,163,164,165 +0403_00548 90,91,104,118,123,129,132,139,147,154,155,157,159,162,163,164,165 +0403_00549 54,79,82,84,86,88,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00550 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00551 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00552 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00553 14,36,67,81,83,84,88,90,91,92,96,104,110,111,117,118,120,124,128,129,132,137,147,151,153,154,155,156,158,161,164,165 +0403_00554 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0403_00555 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0403_00556 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00557 54,82,90,91,92,95,100,104,108,110,111,114,115,116,117,118,123,128,129,131,132,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0403_00558 65,83,96,105,121,137,151,156,161,162,163,165 +0403_00559 38,50,54,65,74,76,77,79,80,82,83,91,96,98,99,100,105,116,120,121,131,133,135,137,142,149,151,153,155,156,158,160,161,162,163,165 +0403_00560 65,77,79,83,96,105,120,121,137,142,144,149,150,151,156,160,161,162,163,165 +0403_00561 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00562 65,83,84,90,91,95,96,104,105,109,111,114,121,123,126,128,131,137,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0403_00563 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0403_00564 65,83,90,91,93,96,105,116,121,123,126,132,137,151,154,155,156,157,159,160,161,162,163,164,165 +0403_00565 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00566 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0403_00567 30,49,74,85,86,89,93,95,100,108,112,114,115,116,118,122,123,126,128,129,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0403_00568 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0403_00569 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00570 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,131,133,135,136,139,145,146,148,151,156,158,159,161,162,163,164,165 +0403_00571 109,113,114,115,123,126,127,132,139,143,146,147,152,153,154,155,157,159,160,162,163,164,165 +0403_00572 65,83,90,91,96,105,108,109,114,121,123,126,129,132,137,151,153,154,155,156,157,159,160,161,162,163,164,165 +0403_00573 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00574 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0403_00575 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00576 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +0403_00577 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0403_00578 26,50,66,72,76,89,90,91,96,99,104,105,108,109,112,115,116,118,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00579 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0403_00580 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0403_00581 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0403_00582 72,93,99,113,126,127,139,143,144,149,150,152,157,159,160,162,163,164,165 +0403_00583 1,90,91,104,108,112,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0403_00584 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 diff --git a/processed_data/0403/0403_fingerprints_pubchem_canonical_success.tsv b/processed_data/0403/0403_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..0016c3291 --- /dev/null +++ b/processed_data/0403/0403_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,585 @@ +id bits.on +0403_00001 10,11,19,20,21,22,23,31,32,33,179,180,284,285,287,309,315,333,340,342,345,347,353,367,408,412,426,457,568,583,638,640,680,681,682,690,691,702,783,804,825 +0403_00002 10,11,19,20,21,22,31,32,144,147,284,285,287,309,315,333,340,342,345,347,353,367,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00003 10,11,19,20,21,284,285,287,309,333,334,336,345,353,381,407,421,441,444,453,536,580,583,618,638,681,682,685,687,688,691,694,695,709,711 +0403_00004 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0403_00005 10,11,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0403_00006 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0403_00007 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0403_00008 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,457,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,567,568,570,571,572,573,574,575,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,620,622,624,625,629,634,635,637,638,639,640,641,642,655,656,657,658,660,661,663,664,665,666,668,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00009 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00010 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00011 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10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0403_00029 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00030 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,682,685,687,691,694,695 +0403_00031 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10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,687,688,691,694,695 +0403_00035 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0403_00036 10,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,582,589,618,640,643 +0403_00037 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0403_00038 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0403_00039 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0403_00040 10,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,463,536,538,618 +0403_00041 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0403_00042 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10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00063 10,19,20,21,31,284,285,287,293,309,315,345,349,353,381,407,412,421,426,441,444,453,457 +0403_00064 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00065 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0403_00066 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,642,668,673,682,687,688 +0403_00067 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0403_00068 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00069 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0403_00070 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0403_00071 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00072 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00073 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0403_00074 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0403_00075 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0403_00076 10,11,19,20,284,285,287,333,342,345,353,375,421,433,444,536 +0403_00077 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0403_00078 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0403_00079 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0403_00080 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0403_00081 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0403_00082 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00083 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0403_00084 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00085 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0403_00086 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0403_00087 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0403_00088 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0403_00089 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00090 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0403_00091 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00092 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00093 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0403_00094 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0403_00095 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00096 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0403_00097 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0403_00098 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0403_00099 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0403_00100 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00101 10,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,582,618,640,643,664 +0403_00102 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00103 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00104 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00105 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0403_00106 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0403_00107 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00108 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0403_00109 10,19,20,21,34,284,285,287,294,309,345,347,350,353,354,367,369,407,409,415,458,459,460,466,572 +0403_00110 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,600,618,620,638,640,641,642,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0403_00111 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00112 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0403_00113 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,437,441,444,449,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00114 10,11,19,20,21,144,150,284,285,287,309,333,340,342,345,347,353,367,381,406,407,417,421,441,442,444,453,463,491,499,525,538,554,557,568,572,574,595,615,618,620,638,640,641,642,661,663,664,667,672,679,682 +0403_00115 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00116 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0403_00117 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0403_00118 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0403_00119 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0403_00120 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0403_00121 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0403_00122 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0403_00123 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00124 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0403_00125 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0403_00126 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0403_00127 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,581,614,618,639,644,646,647,655 +0403_00128 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0403_00129 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0403_00130 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0403_00131 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0403_00132 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0403_00133 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,367,381,391,393,394,407,421,441,444,449,452,453,529,537,541,567,603,646,647,660 +0403_00134 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00135 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0403_00136 10,11,12,15,16,17,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00137 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0403_00138 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0403_00139 10,11,15,16,19,20,34,284,285,286,287,294,300,306,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,415,421,441,444,453,458,466,508,529,536,537,567,580,587,618,638,644 +0403_00140 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0403_00141 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0403_00142 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,582,583,600,618,620,638,641,642,643,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0403_00143 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0403_00144 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0403_00145 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0403_00146 10,11,15,19,20,284,285,286,287,300,309,333,342,345,346,352,353,366,381,394,407,421,433,441,444,453,529,536,537,580,583,593,618,638,681,684,685,687,688,692,696 +0403_00147 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0403_00148 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0403_00149 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0403_00150 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,391,393,394,407,421,441,444,453,529,536,537,541,567,572,580,583,593,603,614,618,638,639,644,657,660,681,682,684,685,687,692,696 +0403_00151 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0403_00152 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00153 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0403_00154 10,11,12,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,392,394,421,441,444,453,529,536,537,541,567,580,583,593,614,638,644,680,681,684,685,690,693 +0403_00155 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 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10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,409,417,421,431,435,441,442,444,447,453,459,460,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0403_00221 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0403_00222 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0403_00223 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,618,638,664 +0403_00224 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,582,618,640,643 +0403_00225 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00226 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00227 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0403_00228 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,699,700,705,709,710,711,777 +0403_00229 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0403_00230 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0403_00231 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0403_00232 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00233 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,640,641,642,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,699,700,702,705,709,710,711,736,741,799,804 +0403_00234 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0403_00235 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0403_00236 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0403_00237 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00238 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0403_00239 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0403_00240 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0403_00241 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00242 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0403_00243 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0403_00244 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0403_00245 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0403_00246 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0403_00247 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00248 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00249 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,693,694,706 +0403_00250 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0403_00251 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0403_00252 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00253 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0403_00254 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0403_00255 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00256 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00257 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00258 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00259 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00260 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00261 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00262 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00263 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0403_00264 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0403_00265 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0403_00266 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00267 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00268 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00269 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00270 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,433,444,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,694,701,702 +0403_00271 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0403_00272 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00273 10,11,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,618,638,681,685,687,688 +0403_00274 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00275 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,681,682,683,684,691,692,703 +0403_00276 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0403_00277 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0403_00278 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00279 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00280 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0403_00281 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00282 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00283 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,647,648,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00284 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00285 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0403_00286 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00287 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00288 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00289 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0403_00290 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643,709 +0403_00291 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0403_00292 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0403_00293 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00294 10,19,20,21,34,284,285,287,309,345,347,353,367,375,409,459,460 +0403_00295 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,414,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,660,663,664,675,681,682,683,684,687,691,692,703,709,712 +0403_00296 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0403_00297 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,433,441,444,453,463,536,538,568,572,580,582,583,589,606,615,618,638,640,643,663,664,680,681,685,687,690,691,693,694,702,706 +0403_00298 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0403_00299 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0403_00300 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,680,681,682,683,684,690,691,692,702,703 +0403_00301 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0403_00302 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0403_00303 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0403_00304 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,348,352,353,356,357,359,366,367,368,371,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,564,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00305 10,11,12,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,409,417,421,431,435,441,442,444,447,453,459,460,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00306 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0403_00307 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00308 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00309 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0403_00310 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00311 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0403_00312 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00313 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00314 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00315 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00316 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00317 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0403_00318 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,359,366,367,371,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,572,573,574,577,581,582,586,594,597,600,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0403_00319 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0403_00320 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0403_00321 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0403_00322 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0403_00323 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0403_00324 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00325 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00326 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0403_00327 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0403_00328 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0403_00329 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0403_00330 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0403_00331 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 +0403_00332 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0403_00333 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0403_00334 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,583,618,638,664,709,711 +0403_00335 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0403_00336 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0403_00337 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0403_00338 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00339 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00340 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00341 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00342 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0403_00343 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0403_00344 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00345 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00346 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0403_00347 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0403_00348 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0403_00349 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0403_00350 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00351 10,11,19,20,34,284,285,287,294,309,333,340,342,345,347,350,353,354,367,369,375,381,407,413,421,441,444,453,463,508,536,538,568,572,580,587,618,638,664 +0403_00352 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00353 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0403_00354 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00355 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00356 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00357 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00358 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0403_00359 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00360 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,757,762,799,820,825 +0403_00361 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0403_00362 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0403_00363 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00364 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0403_00365 10,11,15,19,20,21,144,147,256,257,284,285,286,287,300,309,333,342,345,346,347,352,353,356,366,367,371,372,381,382,385,391,393,394,406,407,410,417,421,433,435,437,440,441,442,444,447,449,452,453,463,465,471,477,491,494,499,517,521,525,529,536,537,538,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,606,607,608,609,614,615,616,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,660,661,665,667,669,672,673,678,679,681,684,685,692,694,695,696,703 +0403_00366 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0403_00367 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0403_00368 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00369 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0403_00370 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0403_00371 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0403_00372 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0403_00373 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0403_00374 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,340,342,345,347,348,353,356,367,368,371,372,381,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,690,691,701,702,720,783 +0403_00375 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0403_00376 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0403_00377 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00378 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00379 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00380 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0403_00381 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0403_00382 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00383 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00384 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0403_00385 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00386 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0403_00387 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0403_00388 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0403_00389 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0403_00390 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00391 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0403_00392 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00393 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0403_00394 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00395 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,683,684,685,687,689,690,693,700,705,709,710,711,736,799 +0403_00396 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0403_00397 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00398 10,11,12,15,16,17,19,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,334,341,345,346,347,352,353,354,356,357,358,359,360,366,367,369,371,373,374,375,376,377,379,380,384,385,388,390,391,392,394,397,398,404,407,413,417,419,422,431,432,436,438,439,442,443,446,447,448,450,451,454,465,473,474,475,476,481,483,485,488,490,491,492,496,501,505,507,508,509,520,522,524,525,531,532,534,539,540,541,546,550,556,557,561,571,572,573,577,583,586,587,593,594,597,600,602,614,618,622,629,635,637,638,642,655,656,657,658,661,666,669,675,679,681,683 +0403_00399 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00400 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0403_00401 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0403_00402 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00403 10,19,34,284,285,287,294,345,353,354,375,414,421,444 +0403_00404 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0403_00405 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0403_00406 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0403_00407 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,711 +0403_00408 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0403_00409 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0403_00410 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00411 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0403_00412 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0403_00413 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,494,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00414 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00415 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 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+0403_00418 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00419 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00420 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0403_00421 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00422 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00423 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0403_00424 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0403_00425 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00426 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0403_00427 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00428 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0403_00429 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00430 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0403_00431 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00432 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0403_00433 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0403_00434 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00435 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,582,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00436 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,709,710 +0403_00437 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10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,409,417,419,431,432,435,436,438,442,443,446,447,448,450,454,459,460,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,596,600,601,604,607,608,609,614,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0403_00439 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 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10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0403_00474 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0403_00475 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0403_00476 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0403_00477 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00478 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00479 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00480 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,525,529,531,536,538,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,672,675,681,682,683,684,687,691,692,703,709,712 +0403_00481 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0403_00482 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,623,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0403_00483 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00484 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,762,778,799,825 +0403_00485 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0403_00486 10,11,19,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,385,417,421,431,435,437,442,444,447,449,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,705,709,710,711 +0403_00487 10,11,19,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,385,407,417,431,435,442,447,471,491,517,521,525,549,553,557,565,571,572,574,575,579,583,585,596,600,604,609,618,619,620,635,638,641,642,656,661,665,668,669,678,679,680,681,689,690,699,709,710,711 +0403_00488 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0403_00489 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00490 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0403_00491 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00492 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0403_00493 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0403_00494 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0403_00495 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0403_00496 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0403_00497 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0403_00498 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0403_00499 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00500 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0403_00501 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0403_00502 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00503 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00504 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0403_00505 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0403_00506 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0403_00507 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0403_00508 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0403_00509 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,689,690,693,700,705,709,710,711,736,799 +0403_00510 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00511 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0403_00512 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00513 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0403_00514 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0403_00515 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0403_00516 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0403_00517 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0403_00518 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0403_00519 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,302,333,341,345,346,350,352,354,356,358,359,366,369,371,375,376,377,384,388,391,392,393,394,396,397,402,404,413,417,419,422,424,432,438,442,443,446,447,450,454,455,456,473,474,475,476,481,483,490,496,501,503,507,508,509,529,532,534,540,541,547,561,570,587,600,612,637,644,655,657,659 +0403_00520 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00521 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0403_00522 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0403_00523 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0403_00524 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,699,700,709,710,711,736,757,762,799,820,825 +0403_00525 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711 +0403_00526 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00527 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0403_00528 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00529 10,11,12,19,20,34,35,144,147,284,285,287,294,309,333,345,350,353,354,369,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00530 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0403_00531 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0403_00532 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00533 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0403_00534 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0403_00535 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10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0403_00545 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,420,430,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,569,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,677,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00546 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0403_00547 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0403_00548 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0403_00549 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0403_00550 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10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0403_00555 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0403_00556 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00557 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10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0403_00567 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0403_00568 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00569 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0403_00570 10,11,12,13,15,19,20,34,179,180,186,187,193,194,256,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,371,372,377,378,384,385,386,391,393,394,409,415,417,431,435,438,442,447,450,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,630,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,737,738,756,758,759,800,801,819,821,822 +0403_00571 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0403_00572 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00573 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0403_00574 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00575 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00576 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +0403_00577 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0403_00578 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0403_00579 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0403_00580 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0403_00581 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00582 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00583 1,2,3,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00584 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0403/0403_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0403/0403_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..9aba9ae68 --- /dev/null +++ b/processed_data/0403/0403_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,585 @@ +id bits.on +0403_00001 10,11,19,20,21,22,23,31,32,33,179,180,284,285,287,309,315,333,340,342,345,347,353,367,408,412,426,457,568,583,638,640,680,681,682,690,691,702,783,804,825 +0403_00002 10,11,19,20,21,22,31,32,144,147,284,285,287,309,315,333,340,342,345,347,353,367,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00003 10,11,19,20,21,284,285,287,309,333,334,336,345,353,381,407,421,441,444,453,536,580,583,618,638,681,682,685,687,688,691,694,695,709,711 +0403_00004 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0403_00005 10,11,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0403_00006 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0403_00007 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,673,679,682,687,688 +0403_00008 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,457,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,567,568,570,571,572,573,574,575,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,620,622,624,625,629,634,635,637,638,639,640,641,642,655,656,657,658,660,661,663,664,665,666,668,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00009 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00010 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00011 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00012 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0403_00013 10,19,20,21,31,284,285,287,309,315,333,342,345,353,381,407,408,412,417,421,426,441,442,444,447,453,457,463,538,554,568,574,664,668,673 +0403_00014 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,381,407,408,412,421,426,441,444,453,457,463,536,538,568,572,582,618,640,643,664 +0403_00015 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00016 10,11,19,20,21,22,31,32,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,681,682,687,691 +0403_00017 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00018 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00019 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0403_00020 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0403_00021 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0403_00022 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,441,442,443,444,446,447,448,450,451,452,453,454,457,463,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,538,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,580,581,582,583,586,593,594,597,602,606,613,614,615,618,622,625,629,637,638,639,640,643,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,685,687,690,691,692,693,694,702,703,706 +0403_00023 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0403_00024 10,15,19,20,21,31,284,285,286,287,300,309,315,333,339,341,345,346,347,352,353,366,367,381,394,407,408,412,421,426,441,444,453,457,529,536,537,567,582,618,640,643,644 +0403_00025 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,433,444,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0403_00026 10,11,19,20,21,22,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,421,426,437,444,449,457,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00027 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,582,618,638,640,643,664,682,687,688,709 +0403_00028 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,681,685,691,694,695 +0403_00029 10,11,19,20,21,22,31,144,147,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00030 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,682,685,687,691,694,695 +0403_00031 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00032 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00033 10,11,19,20,21,22,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00034 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,687,688,691,694,695 +0403_00035 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0403_00036 10,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,582,589,618,640,643 +0403_00037 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,618,638,682,687,688 +0403_00038 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0403_00039 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0403_00040 10,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,463,536,538,618 +0403_00041 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,536,580,582,583,618,638,640,643,681,685,691,694,695,709,711 +0403_00042 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,581,603,614,618,638,639,644,646,647,657,660,682,687,688 +0403_00043 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,690,691,693,694,702,706 +0403_00044 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695 +0403_00045 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,682,687,688,709 +0403_00046 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,582,589,618,638,640,643,709 +0403_00047 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00048 10,19,20,21,285,287,309,333,342,353,381,407,421,433,441,444,453,463,536,538,582,589,618,640,643 +0403_00049 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00050 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0403_00051 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,618,638,640,643,664,682,687,688 +0403_00052 10,11,15,16,19,20,21,31,284,285,286,287,300,305,309,315,345,346,352,353,366,375,376,381,391,392,394,407,412,419,421,426,441,444,451,453,457,520,537,541,561,567,597,603,655,660 +0403_00053 10,19,20,21,31,284,285,287,309,315,333,340,342,345,347,353,367,407,408,412,426,457,568,572,618,640,664 +0403_00054 10,11,12,15,16,19,20,21,22,31,32,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00055 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,680,681,685,690,693,694,695,707 +0403_00056 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0403_00057 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,710 +0403_00058 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,709,711 +0403_00059 10,11,19,20,21,284,285,287,309,333,345,353,367,375,381,406,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695,701 +0403_00060 10,19,20,34,284,285,287,294,309,333,342,345,350,353,354,369,381,407,414,421,433,441,444,453,463,536,538,618 +0403_00061 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00062 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00063 10,19,20,21,31,284,285,287,293,309,315,345,349,353,381,407,412,421,426,441,444,453,457 +0403_00064 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00065 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,618,644 +0403_00066 10,11,19,20,21,284,285,287,309,333,334,345,353,381,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,600,618,638,642,668,673,682,687,688 +0403_00067 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0403_00068 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00069 10,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,582,589,618,640,643 +0403_00070 10,11,19,20,21,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,574,580,600,618,620,638,642,661,668,672,679 +0403_00071 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00072 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00073 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,683,685,686,691,694,695 +0403_00074 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0403_00075 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,581,618,638,639,644,682,687,688 +0403_00076 10,11,19,20,284,285,287,333,342,345,353,375,421,433,444,536 +0403_00077 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0403_00078 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0403_00079 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,433,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,695,702,707 +0403_00080 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0403_00081 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,692,693,696,704,708 +0403_00082 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00083 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,660,681,683,685,686,691,694,695 +0403_00084 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00085 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0403_00086 10,11,15,16,17,19,20,21,284,285,286,287,300,309,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,537,541,561,567,603,637,646,647,648,655,660 +0403_00087 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0403_00088 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0403_00089 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00090 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710,711 +0403_00091 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00092 10,11,12,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00093 10,15,19,20,31,284,285,286,293,300,309,315,345,346,349,352,366,394,412,426,457,529,644 +0403_00094 10,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,466,529,536,537,567,618,644 +0403_00095 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00096 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,373,374,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,441,442,443,444,446,447,448,450,451,452,453,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,573,574,577,581,582,586,589,594,597,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0403_00097 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,537,567,580,581,618,638,639,682,687,688 +0403_00098 10,15,19,20,21,31,284,285,286,287,300,309,315,345,346,347,352,353,366,367,394,408,412,426,457,529,567,644 +0403_00099 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0403_00100 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00101 10,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,582,618,640,643,664 +0403_00102 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00103 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00104 10,11,12,15,16,19,20,21,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00105 10,11,15,19,20,21,22,34,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,409,459,460,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0403_00106 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0403_00107 10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00108 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0403_00109 10,19,20,21,34,284,285,287,294,309,345,347,350,353,354,367,369,407,409,415,458,459,460,466,572 +0403_00110 10,11,19,20,21,179,183,284,285,287,309,333,334,340,342,345,347,353,367,381,407,417,421,431,435,441,442,444,447,453,491,525,536,554,557,568,572,574,580,583,600,618,620,638,640,641,642,661,664,668,672,673,679,680,681,682,685,687,689,690,691,693,694,699,702,705,706 +0403_00111 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,256,257,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00112 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0403_00113 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,437,441,444,449,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00114 10,11,19,20,21,144,150,284,285,287,309,333,340,342,345,347,353,367,381,406,407,417,421,441,442,444,453,463,491,499,525,538,554,557,568,572,574,595,615,618,620,638,640,641,642,661,663,664,667,672,679,682 +0403_00115 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00116 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0403_00117 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0403_00118 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0403_00119 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0403_00120 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,618,638,640,664,682,687 +0403_00121 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0403_00122 10,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,618,664 +0403_00123 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00124 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644,659 +0403_00125 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0403_00126 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,356,359,366,367,368,371,372,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,564,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,616,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703,704 +0403_00127 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,581,614,618,639,644,646,647,655 +0403_00128 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0403_00129 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,570,603,612,644,646,647,657,660 +0403_00130 10,11,15,19,20,21,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,568,572,580,582,583,593,618,638,639,640,643,644,664,680,681,682,683,684,685,687,690,691,692,693,694,702,704,706 +0403_00131 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0403_00132 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0403_00133 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10,11,12,13,15,16,17,19,20,21,22,23,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,564,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,662,663,664,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00188 10,11,19,20,21,179,180,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702,783,804,825 +0403_00189 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00190 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00191 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,421,433,444,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,691,694,702 +0403_00192 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00193 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00194 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00195 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00196 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00197 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00198 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00199 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00200 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +0403_00201 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00202 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0403_00203 10,11,15,16,19,20,21,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,561,567,580,581,593,594,603,614,618,637,638,644,646,647,648,651,655,660,683,686,687,688 +0403_00204 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0403_00205 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0403_00206 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0403_00207 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00208 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00209 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00210 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0403_00211 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0403_00212 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00213 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00214 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,615,618,638,640,662,663,664,681,682,691 +0403_00215 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,544,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,702,705,706,709,710,711,715,738,764,778,801,827 +0403_00216 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,634,635,638,639,641,642,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,692,693,699,700,704,705,709,710,711,736,738,743,799,801,806 +0403_00217 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0403_00218 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,465,471,491,499,517,521,525,529,536,537,542,543,549,550,553,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,704,705,709,710,711,715,778 +0403_00219 10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,409,417,421,431,435,441,442,444,447,453,459,460,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0403_00220 10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,409,417,421,431,435,441,442,444,447,453,459,460,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0403_00221 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0403_00222 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643 +0403_00223 10,11,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,618,638,664 +0403_00224 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,582,618,640,643 +0403_00225 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00226 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00227 10,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,581,618,639,644 +0403_00228 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,336,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,699,700,705,709,710,711,777 +0403_00229 10,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,570,581,618,639,644 +0403_00230 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +0403_00231 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0403_00232 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00233 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,640,641,642,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,699,700,702,705,709,710,711,736,741,799,804 +0403_00234 10,11,15,16,19,20,21,179,181,182,256,257,284,285,286,287,300,309,333,341,345,352,353,356,358,359,371,372,376,377,380,381,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,438,440,441,442,443,444,447,450,451,452,453,454,462,465,473,483,485,488,489,491,494,495,496,503,505,507,520,524,525,528,531,536,537,539,540,546,547,549,550,554,556,557,561,567,571,573,574,575,580,581,586,593,594,597,598,601,602,603,614,618,620,622,624,625,629,634,637,638,642,644,646,648,651,655,656,658,660,666,668,672,673,674,675,683,686,687,688 +0403_00235 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,539,540,541,546,547,548,557,561,570,571,573,580,581,586,593,597,598,600,612,614,618,637,638,639,642,644,655,656,658,666,675,683,686 +0403_00236 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,680,681,684,685,690,693 +0403_00237 10,11,19,20,21,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00238 10,11,15,16,19,20,284,285,286,287,300,309,345,346,352,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,489,520,537,541,561,567,597,603,655,660 +0403_00239 10,11,12,13,15,16,17,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,376,377,378,379,380,381,382,385,387,388,389,390,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,625,629,634,635,637,638,641,644,646,647,648,655,657,658,660,661,665,666,669,672,673,674,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0403_00240 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0403_00241 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00242 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0403_00243 10,11,15,19,20,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,381,385,388,391,392,397,398,404,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0403_00244 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0403_00245 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0403_00246 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0403_00247 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0403_00248 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00249 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,407,421,437,444,449,463,536,538,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,693,694,706 +0403_00250 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0403_00251 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0403_00252 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00253 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,697,699,702,705,709,710,711,715,778 +0403_00254 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0403_00255 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00256 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00257 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00258 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00259 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00260 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00261 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00262 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00263 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0403_00264 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,537,567,582,615,616,618,640,643,644 +0403_00265 10,11,12,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,690,693 +0403_00266 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00267 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00268 10,11,12,19,20,21,22,144,147,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00269 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00270 10,11,12,19,20,21,22,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,421,433,444,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,694,701,702 +0403_00271 10,11,12,15,19,20,21,284,285,286,287,300,309,333,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,699,705 +0403_00272 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00273 10,11,19,20,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,618,638,681,685,687,688 +0403_00274 10,11,12,13,19,20,21,22,23,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00275 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,681,682,683,684,691,692,703 +0403_00276 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0403_00277 10,11,15,19,20,21,284,285,286,287,309,345,346,347,352,353,366,367,381,391,392,407,421,441,444,453,537,541,567,572,603,657,660 +0403_00278 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00279 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00280 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,406,407,568,572,583,615,618,638,640,663,664,680,681,682,690,691,702 +0403_00281 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,184,185,186,256,257,258,259,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,486,488,491,492,496,500,503,505,507,517,520,522,524,531,536,539,541,546,548,550,554,556,557,561,567,568,570,572,573,580,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,641,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00282 10,11,12,13,19,20,21,22,23,144,147,179,182,186,189,193,196,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00283 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,489,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,528,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,647,648,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0403_00284 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00285 10,11,19,20,21,144,147,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,381,382,385,406,407,410,417,421,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,606,607,609,615,618,620,621,624,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,690,691,693,694,695,702,706,707 +0403_00286 10,11,12,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00287 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0403_00288 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0403_00289 10,11,19,20,284,285,287,309,333,334,338,342,345,353,375,381,407,421,441,444,453,463,536,538,568,580,618,638,664,709 +0403_00290 10,11,19,20,284,285,287,309,333,334,336,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,618,638,640,643,709 +0403_00291 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,683,684,686,709,711 +0403_00292 10,11,15,16,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0403_00293 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00294 10,19,20,21,34,284,285,287,309,345,347,353,367,375,409,459,460 +0403_00295 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,414,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,520,522,524,529,531,536,538,539,541,546,548,550,556,561,567,568,570,572,573,580,581,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,660,663,664,675,681,682,683,684,687,691,692,703,709,712 +0403_00296 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,531,539,540,541,546,547,550,556,561,573,577,586,594,597,602,614,622,629,637,644,646,647,648,655,658,675 +0403_00297 10,11,19,20,21,144,147,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,433,441,444,453,463,536,538,568,572,580,582,583,589,606,615,618,638,640,643,663,664,680,681,685,687,690,691,693,694,702,706 +0403_00298 10,11,15,16,19,144,146,147,284,285,286,287,300,345,346,352,353,366,375,376,391,392,393,394,419,421,440,444,451,452,489,520,537,541,561,570,597,603,612,637,644,648,655 +0403_00299 10,11,12,15,16,19,20,21,34,35,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0403_00300 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,348,352,353,356,358,359,360,366,367,368,374,376,377,378,379,380,381,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,564,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,662,663,664,675,680,681,682,683,684,690,691,692,702,703 +0403_00301 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,499,503,515,517,521,525,529,536,537,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,580,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,738,764,778,801,827 +0403_00302 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,541,580,593,614,618,638,644,646,647,657,683,686 +0403_00303 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0403_00304 10,11,12,13,15,16,19,20,21,22,23,31,32,144,147,179,181,182,186,189,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,348,352,353,356,357,359,366,367,368,371,373,374,375,376,377,380,381,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,564,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,662,663,664,673,674,675,680,681,682,683,684,690,691,692,702,703 +0403_00305 10,11,12,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,409,417,421,431,435,441,442,444,447,453,459,460,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00306 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0403_00307 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00308 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00309 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0403_00310 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0403_00311 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0403_00312 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00313 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,557,565,566,568,571,572,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00314 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00315 10,11,19,20,21,179,182,284,285,287,309,333,340,342,345,347,353,367,381,406,407,421,441,444,453,463,536,538,568,572,580,582,583,615,618,638,640,643,663,664,680,681,682,685,687,690,691,693,694,702,706 +0403_00316 10,11,12,15,16,19,20,21,31,144,147,151,154,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00317 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0403_00318 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,359,366,367,371,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,549,550,554,556,561,572,573,574,577,581,582,586,594,597,600,602,614,618,622,625,629,637,639,643,646,647,648,651,655,658,668,673,674,675 +0403_00319 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0403_00320 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0403_00321 10,11,19,20,144,147,256,257,284,285,287,309,333,334,345,347,353,356,357,367,371,372,381,382,385,406,407,410,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,580,582,589,590,595,598,600,605,607,615,618,620,621,624,626,627,633,638,640,642,643,652,656,667,668,672,673,682,687,688,709 +0403_00322 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0403_00323 10,11,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,517,525,554,574,600,620,668,672,673 +0403_00324 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00325 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00326 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0403_00327 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685 +0403_00328 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0403_00329 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,545,549,553,557,565,567,568,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,685,689,690,692,693,697,699,700,704,705,709,710,711,715,736,762,778,799,825 +0403_00330 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0403_00331 10,11,15,16,19,284,285,286,287,300,333,345,346,352,353,366,375,391,393,394,421,440,444,452,529,541,593,614,644,646,647,657 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10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0403_00336 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +0403_00337 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0403_00338 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00339 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00340 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00341 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00342 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0403_00343 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0403_00344 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00345 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,549,553,557,565,568,571,572,574,575,579,580,583,585,596,598,600,604,609,618,619,620,635,638,641,642,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00346 10,11,15,16,17,19,179,181,182,186,188,189,256,257,258,259,284,285,286,287,300,333,341,345,346,352,353,356,358,359,360,366,371,373,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,503,505,507,517,520,522,524,528,531,536,537,539,540,541,546,547,548,550,554,556,561,570,573,578,581,586,594,597,602,603,612,614,622,625,629,637,648,655,657,658,674,675 +0403_00347 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0403_00348 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,356,357,359,366,371,373,374,375,376,377,379,380,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,505,507,520,522,524,528,531,539,541,546,550,556,561,573,577,586,594,597,600,602,614,622,629,637,646,647,648,655,658,675 +0403_00349 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,702,705,706,709,710,711,720,736,757,783,799,820 +0403_00350 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00351 10,11,19,20,34,284,285,287,294,309,333,340,342,345,347,350,353,354,367,369,375,381,407,413,421,441,444,453,463,508,536,538,568,572,580,587,618,638,664 +0403_00352 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00353 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0403_00354 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00355 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,393,394,397,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,537,539,540,541,546,547,550,553,554,556,557,565,567,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,603,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,660,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00356 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00357 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0403_00358 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0403_00359 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0403_00360 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,757,762,799,820,825 +0403_00361 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0403_00362 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,620,624,625,634,635,638,639,641,642,644,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,699,705,709,710,711,759,822 +0403_00363 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0403_00364 10,11,19,20,284,285,287,309,333,334,345,353,375,381,407,417,421,431,435,441,442,444,447,453,525,536,554,574,600,618,620,668,672,673 +0403_00365 10,11,15,19,20,21,144,147,256,257,284,285,286,287,300,309,333,342,345,346,347,352,353,356,366,367,371,372,381,382,385,391,393,394,406,407,410,417,421,433,435,437,440,441,442,444,447,449,452,453,463,465,471,477,491,494,499,517,521,525,529,536,537,538,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,606,607,608,609,614,615,616,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,660,661,665,667,669,672,673,678,679,681,684,685,692,694,695,696,703 +0403_00366 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0403_00367 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0403_00368 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,394,397,398,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,536,537,539,541,546,548,550,554,561,567,568,570,572,573,581,583,586,593,594,597,603,612,613,614,615,618,625,637,638,639,640,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00369 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0403_00370 10,11,15,19,20,34,179,180,256,284,285,286,294,300,309,333,341,345,352,354,356,371,372,377,378,384,385,394,409,415,417,435,438,442,447,450,458,459,460,465,466,471,482,491,503,517,521,525,532,533,534,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,768,831 +0403_00371 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,421,431,432,436,437,438,442,443,444,446,447,448,449,450,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0403_00372 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0403_00373 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,736,799 +0403_00374 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,340,342,345,347,348,353,356,367,368,371,372,381,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,690,691,701,702,720,783 +0403_00375 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0403_00376 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0403_00377 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00378 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00379 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0403_00380 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0403_00381 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,580,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0403_00382 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00383 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00384 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0403_00385 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0403_00386 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0403_00387 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0403_00388 10,11,15,16,19,20,179,181,182,284,285,286,287,300,333,334,336,345,346,352,353,366,375,376,391,393,394,421,440,444,452,529,536,541,561,581,594,614,637,644,646,647,648,651,655 +0403_00389 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0403_00390 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00391 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0403_00392 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00393 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0403_00394 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00395 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,683,684,685,687,689,690,693,700,705,709,710,711,736,799 +0403_00396 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,640,641,642,652,654,656,661,664,665,668,669,678,679,680,681,690,691,702,741,762,804,825 +0403_00397 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,385,388,391,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00398 10,11,12,15,16,17,19,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,334,341,345,346,347,352,353,354,356,357,358,359,360,366,367,369,371,373,374,375,376,377,379,380,384,385,388,390,391,392,394,397,398,404,407,413,417,419,422,431,432,436,438,439,442,443,446,447,448,450,451,454,465,473,474,475,476,481,483,485,488,490,491,492,496,501,505,507,508,509,520,522,524,525,531,532,534,539,540,541,546,550,556,557,561,571,572,573,577,583,586,587,593,594,597,600,602,614,618,622,629,635,637,638,642,655,656,657,658,661,666,669,675,679,681,683 +0403_00399 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00400 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,657,660 +0403_00401 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,345,346,347,352,353,356,357,366,367,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,463,465,471,491,494,517,521,525,529,536,537,538,541,550,553,554,557,560,565,567,568,571,572,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,664,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0403_00402 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00403 10,19,34,284,285,287,294,345,353,354,375,414,421,444 +0403_00404 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0403_00405 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0403_00406 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,710 +0403_00407 10,11,19,20,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,681,685,709,711 +0403_00408 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,741,757,804,820 +0403_00409 10,11,15,19,20,284,285,286,287,300,309,333,334,345,346,352,353,366,375,381,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,525,529,536,537,541,554,567,600,603,614,646,647,657,660,672,673 +0403_00410 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00411 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0403_00412 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0403_00413 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,463,471,491,494,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00414 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00415 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0403_00416 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,256,257,284,285,286,287,300,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,388,390,391,392,393,394,397,400,401,404,417,419,421,432,436,438,440,442,443,444,446,447,448,450,451,452,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,570,571,573,580,583,586,593,594,596,597,600,603,608,609,612,614,637,641,644,646,647,655,657,658,666,675,684,685,686,695,696 +0403_00417 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00418 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0403_00419 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00420 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0403_00421 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,396,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,515,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00422 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00423 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +0403_00424 1,10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0403_00425 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00426 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0403_00427 1,10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00428 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0403_00429 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0403_00430 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,302,309,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,381,385,394,396,402,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,529,536,537,546,547,550,553,557,559,565,567,571,579,580,583,585,593,596,600,601,604,608,609,618,619,634,635,638,641,644,661,665,666,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,717,780 +0403_00431 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00432 10,11,12,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,381,382,383,385,388,391,397,404,407,417,419,421,431,432,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,572,574,575,576,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,640,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +0403_00433 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0403_00434 1,10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00435 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,571,574,575,579,580,582,583,585,591,593,596,598,600,603,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,646,647,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00436 10,11,19,20,284,285,287,309,333,334,336,342,345,353,375,381,407,421,433,441,444,453,463,536,538,580,583,618,638,681,685,709,710 +0403_00437 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00438 10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,409,417,419,431,432,435,436,438,442,443,446,447,448,450,454,459,460,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,596,600,601,604,607,608,609,614,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0403_00439 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00440 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00441 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0403_00442 10,11,15,16,19,20,284,285,286,287,300,333,339,341,345,346,352,353,366,375,381,391,393,394,421,440,441,444,452,453,529,536,537,541,567,570,603,612,614,644,646,647,657,660 +0403_00443 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0403_00444 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00445 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,376,381,391,393,394,407,421,441,444,452,453,529,536,541,561,570,580,583,593,612,614,618,637,638,644,646,647,655,680,681,684,685,689,690,693,697,699,705 +0403_00446 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0403_00447 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0403_00448 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,693,694,700,705,706,709,710,711,715,736,762,778,799,825 +0403_00449 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00450 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0403_00451 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0403_00452 10,11,12,13,15,16,17,18,19,20,21,22,31,32,144,146,147,151,154,179,180,181,182,184,185,186,191,192,193,200,256,257,258,259,260,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,457,465,471,473,483,485,486,488,489,491,492,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,689,691,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0403_00453 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,685,709,710 +0403_00454 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,590,595,596,600,604,605,606,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,643,652,656,661,662,663,664,665,667,669,678,679,680,681,682,685,687,689,690,691,693,694,701,702,706,709,710,711,715,778 +0403_00455 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0403_00456 10,11,12,19,20,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0403_00457 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00458 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0403_00459 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0403_00460 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0403_00461 10,11,12,19,20,21,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,699,701,702,709,710,711,757,820 +0403_00462 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,689,690,699,700,709,710,711,736,799 +0403_00463 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0403_00464 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,690,762,825 +0403_00465 10,11,19,20,21,34,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,409,417,431,435,442,447,459,460,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0403_00466 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0403_00467 10,11,12,15,19,144,146,147,179,183,256,257,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,385,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,601,604,608,609,614,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,696,697,705,708,709,710,711,822 +0403_00468 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0403_00469 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0403_00470 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +0403_00471 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,699,702,705,709,710,711,741,757,804,820 +0403_00472 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00473 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0403_00474 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0403_00475 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0403_00476 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0403_00477 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00478 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00479 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0403_00480 10,11,12,13,15,16,17,19,20,21,22,23,31,32,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,315,333,334,335,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,408,412,413,417,419,421,426,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,457,463,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,525,529,531,536,538,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,583,586,593,594,597,600,602,612,613,614,615,618,622,629,637,638,639,640,644,646,647,655,657,658,659,660,663,664,672,675,681,682,683,684,687,691,692,703,709,712 +0403_00481 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0403_00482 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,623,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0403_00483 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00484 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,762,778,799,825 +0403_00485 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0403_00486 10,11,19,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,385,417,421,431,435,437,442,444,447,449,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,705,709,710,711 +0403_00487 10,11,19,179,180,256,284,285,287,309,333,334,345,347,353,356,357,367,371,372,385,407,417,431,435,442,447,471,491,517,521,525,549,553,557,565,571,572,574,575,579,583,585,596,600,604,609,618,619,620,635,638,641,642,656,661,665,668,669,678,679,680,681,689,690,699,709,710,711 +0403_00488 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0403_00489 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0403_00490 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0403_00491 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00492 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0403_00493 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0403_00494 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,693 +0403_00495 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0403_00496 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0403_00497 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,570,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,709,710,711,713,759,822 +0403_00498 10,11,15,19,20,144,146,147,284,285,286,287,300,333,334,335,345,352,353,375,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,684,685,686,688,709,711,712 +0403_00499 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00500 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0403_00501 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0403_00502 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0403_00503 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00504 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,757,798,820 +0403_00505 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0403_00506 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,517,521,525,529,537,541,553,554,557,565,567,571,579,583,585,596,600,603,604,609,619,635,641,644,646,647,657,660,661,665,669,672,673,678,679,680,689,709,710,711 +0403_00507 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0403_00508 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0403_00509 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,687,689,690,693,700,705,709,710,711,736,799 +0403_00510 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00511 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0403_00512 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00513 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0403_00514 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,356,357,366,367,371,372,385,391,393,394,417,421,431,435,442,447,449,452,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,661,665,669,678,679,680,684,689,709,710,711 +0403_00515 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0403_00516 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0403_00517 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0403_00518 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0403_00519 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,302,333,341,345,346,350,352,354,356,358,359,366,369,371,375,376,377,384,388,391,392,393,394,396,397,402,404,413,417,419,422,424,432,438,442,443,446,447,450,454,455,456,473,474,475,476,481,483,490,496,501,503,507,508,509,529,532,534,540,541,547,561,570,587,600,612,637,644,655,657,659 +0403_00520 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00521 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +0403_00522 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0403_00523 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,640,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,683,684,689,690,692,697,699,700,704,709,710,711,720,736,757,783,799,820 +0403_00524 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,699,700,709,710,711,736,757,762,799,820,825 +0403_00525 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711 +0403_00526 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00527 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0403_00528 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0403_00529 10,11,12,19,20,34,35,144,147,284,285,287,294,309,333,345,350,353,354,369,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00530 10,11,12,15,19,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,397,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,736,759,764,799,822,827 +0403_00531 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0403_00532 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0403_00533 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0403_00534 10,11,12,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,690,691,701,702,741,804 +0403_00535 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0403_00536 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0403_00537 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,799,825 +0403_00538 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,664,680,681,685,689,690,693,697,699,705 +0403_00539 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0403_00540 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0403_00541 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0403_00542 10,11,15,19,20,179,180,256,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,684,689,690,709,710,711,715,738,764,778,801,827 +0403_00543 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0403_00544 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0403_00545 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,420,430,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,569,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,677,678,679,680,684,689,697,698,709,710,711,713,759,822 +0403_00546 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,333,334,345,346,352,354,356,357,366,371,372,375,376,384,385,391,393,394,415,417,421,431,435,442,447,452,458,460,466,471,484,491,517,521,525,529,532,533,541,553,557,561,565,571,579,583,585,593,596,600,604,609,614,619,635,641,644,646,647,655,661,665,669,678,679,680,689,709,710,711,716,779 +0403_00547 10,11,12,15,19,144,149,150,179,180,256,284,285,286,287,300,333,334,336,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,546,547,550,553,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0403_00548 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,618,619,635,638,641,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711 +0403_00549 10,11,12,13,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,570,580,583,587,593,603,612,614,618,638,644,646,647,657,659,660,680,681,684,685,686,692,694,695,696,703 +0403_00550 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0403_00551 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0403_00552 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0403_00553 10,11,12,15,19,34,35,144,147,284,285,286,287,294,300,333,345,350,352,353,354,369,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0403_00554 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0403_00555 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0403_00556 1,2,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00557 10,11,12,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,644,646,647,657,660,680,684,685,689,693,697,705 +0403_00558 10,11,12,15,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0403_00559 10,11,12,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,334,341,345,346,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,525,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,600,602,612,614,622,629,637,644,655,657,658,675 +0403_00560 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,352,356,357,358,359,366,371,372,374,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,520,521,522,524,525,528,529,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0403_00561 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00562 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,615,616,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0403_00563 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00564 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00565 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0403_00566 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0403_00567 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,583,593,614,615,616,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0403_00568 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00569 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0403_00570 10,11,12,13,15,19,20,34,179,180,186,187,193,194,256,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,371,372,377,378,384,385,386,391,393,394,409,415,417,431,435,438,442,447,450,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,630,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,737,738,756,758,759,800,801,819,821,822 +0403_00571 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0403_00572 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0403_00573 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0403_00574 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00575 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0403_00576 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +0403_00577 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0403_00578 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,572,580,583,600,606,615,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0403_00579 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0403_00580 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0403_00581 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0403_00582 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0403_00583 1,2,3,10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0403_00584 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0403/0403_gradient.tsv b/processed_data/0403/0403_gradient.tsv new file mode 100644 index 000000000..88e608a98 --- /dev/null +++ b/processed_data/0403/0403_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/processed_data/0403/0403_info.tsv b/processed_data/0403/0403_info.tsv new file mode 100644 index 000000000..14c06dcbc --- /dev/null +++ b/processed_data/0403/0403_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0403 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_82 diff --git a/processed_data/0403/0403_metadata.tsv b/processed_data/0403/0403_metadata.tsv new file mode 100644 index 000000000..60327be42 --- /dev/null +++ b/processed_data/0403/0403_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0403 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.35 0.63 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2 98 0 0 diff --git a/processed_data/0403/0403_report_canonical.pdf b/processed_data/0403/0403_report_canonical.pdf new file mode 100644 index 000000000..8528c7ee0 Binary files /dev/null and b/processed_data/0403/0403_report_canonical.pdf differ diff --git a/processed_data/0403/0403_report_isomeric.pdf b/processed_data/0403/0403_report_isomeric.pdf new file mode 100644 index 000000000..5249c012d Binary files /dev/null and b/processed_data/0403/0403_report_isomeric.pdf differ diff --git a/processed_data/0403/0403_rtdata_canonical_success.tsv b/processed_data/0403/0403_rtdata_canonical_success.tsv new file mode 100644 index 000000000..03d7b140d --- /dev/null +++ b/processed_data/0403/0403_rtdata_canonical_success.tsv @@ -0,0 +1,585 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0403_00001 C6H18O24P6 0.653 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) IMQLKJBTEOYOSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00002 C6H14O12P2 0.688 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15) RNBGYGVWRKECFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00003 C6H8O6 0.692 C(C(CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KQTIIICEAUMSDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00004 C6H8O7 0.702 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00005 C6H8O7 0.702 C(C(C(C(=O)O)O)C(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) ODBLHEXUDAPZAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00006 C6H6O6 0.702 C(C(=CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) GTZCVFVGUGFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00007 C6H6O6 0.702 C(C(=CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) GTZCVFVGUGFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00008 C21H28N6O18P3 0.703 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1 QOTXBMGJKFVZRD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00009 C6H13O10P 0.706 C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15) BIRSGZKFKXLSJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00010 C9H15N3O11P2 0.709 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18) ZWIADYZPOWUWEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0403_00011 C9H16N3O14P3 0.709 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18) PCDQPRRSZKQHHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0403_00012 C3H7O7P 0.71 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00013 C3H5O6P 0.711 C=C(C(=O)O)OP(=O)(O)O InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) DTBNBXWJWCWCIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) NA (NA) NA (NA) +0403_00014 C3H7O7P 0.712 C(C(C(=O)O)O)OP(=O)(O)O InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) OSJPPGNTCRNQQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00015 C10H13N4O9P 0.713 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18) DCTLYFZHFGENCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00016 C5H12O11P2 0.713 C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14) YAHZABJORDUQGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00017 C9H15N2O15P3 0.716 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18) PGAVKCOVUIYSFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0403_00018 C10H15N5O10P2 0.72 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) WHTCPDAXWFLDIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0403_00019 C4H6O5 0.722 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00020 C4H6O5 0.722 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00021 C4H6O5 0.722 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00022 C15H22N2O18P2 0.726 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26) HDYANYHVCAPMJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00023 C3H8NO6P 0.727 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00024 C3H8NO6P 0.727 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00025 C6H13O9P 0.727 C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14) GSXOAOHZAIYLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00026 C6H13O9P 0.727 C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14) VFRROHXSMXFLSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00027 C5H8O5 0.728 CC(CC(=O)O)(C(=O)O)O InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9) XFTRTWQBIOMVPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00028 C5H8O5 0.728 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00029 C5H11O8P 0.728 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11) KTVPXOYAKDPRHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00030 C5H8O5 0.728 C(CC(=O)O)C(C(=O)O)O InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10) HWXBTNAVRSUOJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0403_00031 C9H14N2O12P2 0.73 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18) XCCTYIAWTASOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0403_00032 C6H10O8 0.73 C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) DSLZVSRJTYRBFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00033 C6H10O8 0.73 C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) DSLZVSRJTYRBFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00034 C5H6O5 0.731 C(CC(=O)O)C(=O)C(=O)O InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) KPGXRSRHYNQIFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0403_00035 C4H6O4 0.731 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00036 C3H4O4 0.731 C(C(=O)O)C(=O)O InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00037 C4H6O4 0.731 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00038 C4H4O4 0.731 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00039 C4H4O4 0.731 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00040 C3H4O3 0.733 CC(=O)C(=O)O InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) LCTONWCANYUPML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0403_00041 C6H10O5 0.733 CC(CC(=O)O)(CC(=O)O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) NPOAOTPXWNWTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00042 C6H9NO5 0.733 CC(=O)NC(CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12) OTCCIMWXFLJLIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00043 C6H10O5 0.733 C(CC(C(=O)O)O)CC(=O)O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00044 C5H8O4 0.734 C(CC(=O)O)CC(=O)O InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00045 C5H8O4 0.734 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00046 C5H8O4 0.734 CCC(C(=O)O)C(=O)O InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0403_00047 C9H15N2O14P3 0.734 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17) AHCYMLUZIRLXAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0403_00048 C3H2O5 0.736 C(=O)(C(=O)O)C(=O)O InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8) XEEVLJKYYUVTRC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00049 C10H16N5O14P3 0.737 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18) XKMLYUALXHKNFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00050 C4H6O6 0.737 C(C(C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) FEWJPZIEWOKRBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00051 C4H6O6 0.737 C(C(C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) FEWJPZIEWOKRBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00052 C4H10N3O5P 0.737 CN(CC(=O)O)C(=NP(=O)(O)O)N InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) DRBBFCLWYRJSJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00053 C3H9O6P 0.738 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0403_00054 C9H15N3O10P2 0.738 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17) FTDHDKPUHBLBTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organic oxoanionic compounds (CHEMONTID:0000463) Organic pyrophosphates (CHEMONTID:0001804) NA (NA) NA (NA) +0403_00055 C6H8O5 0.74 C(CC(=O)C(=O)O)CC(=O)O InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) FGSBNBBHOZHUBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0403_00056 C6H10O4 0.74 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00057 C6H10O4 0.74 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00058 C6H10O4 0.74 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00059 C6H10O4 0.74 COC(=O)CCCC(=O)O InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) IBMRTYCHDPMBFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Fatty acid methyl esters (CHEMONTID:0003417) NA (NA) +0403_00060 C3H4O3S 0.743 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0403_00061 C6H13O9P 0.744 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00062 C6H13O9P 0.744 C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13) HXXFSFRBOHSIMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00063 C2H5O5P 0.746 C(C(=O)O)P(=O)(O)O InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) XUYJLQHKOGNDPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0403_00064 C10H14N4O11P2 0.747 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20) JPXZQMKKFWMMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00065 C3H7NO5S 0.747 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00066 C5H6O4 0.748 C=C(CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) LVHBHZANLOWSRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0403_00067 C5H6O4 0.748 CC(=CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9) HNEGQIOMVPPMNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00068 C10H15N5O11P2 0.751 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18) QGWNDRXFNXRZMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00069 C3H5NO4 0.753 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00070 C6H8O4 0.753 CC(=CC(=O)O)CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) WKRBKYFIJPGYQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00071 C9H13N2O9P 0.754 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18) DJJCXFVJDGTHFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0403_00072 C10H15N4O14P3 0.754 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20) HAEJPQIATWHALX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00073 C7H11NO5 0.756 CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) RFMMMVDNIPUKGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00074 C4H7NO4 0.757 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00075 C4H7NO4 0.757 C(C(C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00076 C4H6O2 0.758 CC(=O)C(=O)C InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 QSJXEFYPDANLFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Alpha-diketones (CHEMONTID:0001223) +0403_00077 C5H9NO4 0.758 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00078 C6H14NO8P 0.76 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00079 C6H10O7 0.761 C(C(=O)C(C(C(C(=O)O)O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13) IZSRJDGCGRAUAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00080 C6H11NO4 0.761 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00081 C6H11NO4 0.761 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00082 C6H10O7 0.761 C1(C(C(OC(C1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11) AEMOLEFTQBMNLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00083 C6H11NO4 0.761 CNC(CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11) XLBVNMSMFQMKEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00084 C6H10O7 0.761 C1(C(C(OC(C1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11) AEMOLEFTQBMNLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00085 C5H11NO2 0.762 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0403_00086 C4H8N4O4 0.764 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00087 C7H12O4 0.764 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00088 C7H5NO4 0.764 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00089 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00090 C7H12O4 0.764 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00091 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00092 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25) HSCJRCZFDFQWRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00093 C2H8NO3P 0.769 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0403_00094 C3H7NO4S 0.769 C(C(C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8) ADVPTQAUNPRNPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00095 C21H29N7O17P3 0.77 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1 XJLXINKUBYWONI-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00096 C5H4N2O4 0.77 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0403_00097 C5H9N3O4 0.77 C(C(C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8) VVHOUVWJCQOYGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00098 C2H8NO4P 0.771 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0403_00099 C8H6O4 0.771 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0403_00100 C10H16N5O13P3 0.771 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20) ZKHQWZAMYRWXGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00101 C3H6O4 0.771 C(C(C(=O)O)O)O InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7) RBNPOMFGQQGHHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00102 C10H16N5O13P3 0.771 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17) HAAZLUGHYHWQIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0403_00103 C6H12O7 0.772 C(C(C(C(C(C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13) RGHNJXZEOKUKBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00104 C9H14N3O7P 0.772 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17) NCMVOABPESMRCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0403_00105 C6H13NO8S 0.772 C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13) MTDHILKWIRSIHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide sulfates (CHEMONTID:0003306) +0403_00106 C7H6O5 0.774 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0403_00107 C16H25N5O16P2 0.774 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28) MVMSCBBUIHUTGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00108 C7H14N2O4 0.776 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00109 C2H6O4S 0.777 C(CS(=O)(=O)O)O InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) SUMDYPCJJOFFON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0403_00110 C7H10O5 0.779 C1C(C(C(C=C1C(=O)O)O)O)O InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12) JXOHGGNKMLTUBP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00111 C9H15N4O8P 0.779 C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19) NOTGFIUVDGNKRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0403_00112 C7H12O6 0.781 C1C(C(C(CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) AAWZDTNXLSGCEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00113 C6H8O6 0.781 C(=O)C(C1C(C(C(=O)O1)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H UYUXSRADSPPKRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00114 C6H8O6 0.781 C(C(C1C(=C(C(=O)O1)O)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2 CIWBSHSKHKDKBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0403_00115 C10H13N4O8P 0.781 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00116 C3H7NO2 0.782 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00117 C3H7NO2 0.782 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00118 C3H7NO2 0.782 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00119 C7H14N2O4S 0.782 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00120 C4H8O4 0.785 C(CO)C(C(=O)O)O InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8) UFYGCFHQAXXBCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0403_00121 C3H6O3 0.786 CC(C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0403_00122 C3H6O3 0.786 CC(C(=O)O)O InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0403_00123 C10H14N5O8P 0.787 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18) RQFCJASXJCIDSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00124 C5H9NO4S 0.789 C(C(C(=O)O)N)SCC(=O)O InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) GBFLZEXEOZUWRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00125 C17H27N3O17P2 0.789 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28) LFTYTUAZOPRMMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00126 C17H27N3O17P2 0.789 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28) LFTYTUAZOPRMMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00127 C4H8N2O3 0.79 C(CNC(=O)N)C(=O)O InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) JSJWCHRYRHKBBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0403_00128 C4H8N2O3 0.79 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00129 C4H8N2O3 0.79 C(C(=O)NCC(=O)O)N InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) YMAWOPBAYDPSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00130 C6H13NO6 0.791 C(C(C(C(C(C(=O)O)N)O)O)O)O InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13) UFYKDFXCZBTLOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00131 C2H7NO3S 0.793 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0403_00132 C3H7NO3 0.794 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00133 C3H5NO3 0.795 C(C(=O)O)NC=O InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7) UGJBHEZMOKVTIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00134 C9H14N3O8P 0.797 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) UOOOPKANIPLQPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Ribonucleoside 3'-phosphates (CHEMONTID:0004404) NA (NA) NA (NA) NA (NA) +0403_00135 C4H9NO2 0.802 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00136 C14H26N4O11P2 0.804 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25) RZZPDXZPRHQOCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0403_00137 C3H7NO2S 0.806 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00138 C8H20NO6P 0.809 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0403_00139 C5H12N2O3S 0.809 CS(=N)(=O)CCC(C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9) SXTAYKAGBXMACB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00140 C2H7NO2S 0.809 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +0403_00141 C5H10N2O3 0.81 C(CC(=O)N)C(C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00142 C7H8O5 0.81 C1C(C(C(=O)C=C1C(=O)O)O)O InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12) SLWWJZMPHJJOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0403_00143 C4H9NO3 0.812 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00144 C4H9NO3 0.812 C(CO)C(C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00145 C4H9NO3 0.812 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00146 C5H9NO3 0.813 C(CC(=O)O)C(=O)CN InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) ZGXJTSGNIOSYLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0403_00147 C5H9NO3 0.813 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00148 C5H9NO3 0.813 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00149 C5H9NO3 0.813 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00150 C5H9NO3 0.813 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00151 C8H20NO6P 0.813 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0403_00152 C6H12O6 0.817 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00153 C11H19NO9 0.818 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0403_00154 C9H20N2O2 0.819 C[N+](C)(C)CCCCC(C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3 MXNRLFUSFKVQSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00155 C8H8O5 0.82 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00156 C6H14O6 0.822 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00157 C6H14O6 0.822 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00158 C6H12O5 0.822 C1C(C(C(OC1O)CO)O)O InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2 PMMURAAUARKVCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00159 C7H12O5 0.825 CC(C)C(CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) BITYXLXUCSKTJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00160 C3H7N3O2 0.826 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00161 C4H6N4O3 0.827 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0403_00162 C7H6O6S 0.827 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) YCPXWRQRBFJBPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Sulfobenzoic acids (CHEMONTID:0000034) 3-sulfobenzoic acids (CHEMONTID:0002761) +0403_00163 C7H12O3 0.827 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0403_00164 C4H5NO3 0.828 C(=CC(=O)O)C(=O)N InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8) FSQQTNAZHBEJLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00165 C4H7NO2 0.829 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00166 C9H13N2O8P 0.829 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17) JSRLJPSBLDHEIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0403_00167 C5H9NO4 0.83 CC(=O)NC(CO)C(=O)O InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) JJIHLJJYMXLCOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00168 C6H13N3O3 0.831 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00169 C7H15NO3 0.831 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0403_00170 C6H14N2O3 0.832 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00171 C6H14N2O3 0.832 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00172 C8H13NO6 0.836 C(COC(=O)CCC(=O)O)C(C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14) GNISQJGXJIDKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00173 C6H10N2O4 0.837 CC(=O)NC(CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12) HXFOXFJUNFFYMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00174 C4H9NO2 0.839 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00175 C5H12O5 0.839 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00176 C4H9NO2 0.839 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00177 C4H9NO2 0.839 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00178 C5H12O5 0.839 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00179 C4H9NO2 0.839 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0403_00180 C5H12O5 0.839 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00181 C4H9NO2 0.839 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00182 C7H15NO2 0.842 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00183 C12H22O11 0.842 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00184 C5H12N2O2 0.844 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00185 C5H12N2O2 0.844 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00186 C6H13NO5 0.844 C(C1C(C(C(C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2 MSWZFWKMSRAUBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00187 C16H25N5O16P2 0.844 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28) MVMSCBBUIHUTGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00188 C6H12O6 0.846 C1(C(C(C(C(C1O)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0403_00189 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00190 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00191 C6H12O6 0.846 C(C(C(C(C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2 BJHIKXHVCXFQLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00192 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00193 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00194 C6H12O6 0.846 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00195 C6H12O6 0.846 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00196 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00197 C6H12O6 0.846 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00198 C6H12O6 0.846 C1C(C(C(C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2 LKDRXBCSQODPBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00199 C6H12O6 0.846 C(C1C(C(C(C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 WQZGKKKJIJFFOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00200 C5H11NO2 0.847 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00201 C10H15N5O10P2 0.847 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20) XTWYTFMLZFPYCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00202 C4H7NO3 0.847 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00203 C5H6N2O4 0.847 C1C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11) UFIVEPVSAGBUSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00204 C5H7NO3 0.849 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00205 C5H7NO3 0.849 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00206 C5H7NO3 0.849 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00207 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00208 C5H10O5 0.852 C(C1C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2 HMFHBZSHGGEWLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00209 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00210 C4H10O4 0.852 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00211 C4H10O4 0.852 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00212 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00213 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00214 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00215 C7H7NO3 0.853 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00216 C7H7NO3 0.853 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00217 C6H14N2O2 0.855 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00218 C8H9NO3 0.855 C1=CC(=CC=C1C(C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12) LJCWONGJFPCTTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00219 C7H6O6S 0.857 C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) RJTYSXVYCZAUHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00220 C7H6O6S 0.857 C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)O InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) MZYPOJMKJHCOQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00221 C4H8O3 0.86 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00222 C4H8O3 0.86 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00223 C4H8O3 0.86 CCC(C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7) AFENDNXGAFYKQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0403_00224 C4H8O3 0.86 CC(CO)C(=O)O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) DBXBTMSZEOQQDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00225 C6H10O6 0.861 C(C(C1C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2 SXZYCXMUPBBULW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00226 C8H15NO6 0.862 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00227 C3H7NO2 0.863 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0403_00228 C8H15NO2 0.863 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0403_00229 C3H8N2O2 0.863 C(C(C(=O)O)N)N InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) PECYZEOJVXMISF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00230 C6H5NO3 0.864 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00231 C6H9N3O2 0.865 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00232 C7H6O4 0.867 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00233 C7H6O4 0.867 C1=C(C=C(C=C1O)O)C(=O)O InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) UYEMGAFJOZZIFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00234 C5H4N2O4 0.868 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0403_00235 C5H6N2O2 0.868 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0403_00236 C7H15N3O3 0.869 C(CCNC(=O)N)CC(C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13) XIGSAGMEBXLVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00237 C6H10O5 0.871 C1C2C(C(C(C(O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2 TWNIBLMWSKIRAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0403_00238 C4H9N3O2 0.872 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00239 C19H19N7O6 0.872 C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30) OVBPIULPVIDEAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0403_00240 C7H12N2O4 0.873 CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13) KSMRODHGGIIXDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00241 C7H6O5 0.874 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00242 C9H17NO4 0.874 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0403_00243 C7H7NO2 0.875 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0403_00244 C7H7NO2 0.875 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0403_00245 C9H14N4O3 0.875 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0403_00246 C5H4N4O3 0.876 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00247 C6H12O5 0.876 CC1C(C(C(C(O1)O)O)O)O InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3 SHZGCJCMOBCMKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00248 C10H15N5O10P2 0.876 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17) CIKGWCTVFSRMJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0403_00249 C6H12O5 0.876 CC(C(C(C(C=O)O)O)O)O InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3 PNNNRSAQSRJVSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00250 C5H9NO2 0.877 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00251 C5H9NO2 0.877 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00252 C8H8O4 0.878 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00253 C8H8O4 0.878 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00254 C5H11N3O2 0.878 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00255 C8H8O4 0.878 C1=CC(=C(C=C1CC(=O)O)O)O InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) CFFZDZCDUFSOFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00256 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2 CZMRCDWAGMRECN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00257 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00258 C10H15N2O8P 0.878 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18) GYOZYWVXFNDGLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0403_00259 C8H14O4 0.878 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00260 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00261 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2 JCQLYHFGKNRPGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00262 C10H12N4O6 0.878 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00263 C8H8O4 0.878 C1=CC(=CC(=C1)O)C(C(=O)O)O InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) OLSDAJRAVOVKLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0403_00264 C5H9NO4 0.878 CC(=O)OCC(C(=O)O)N InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9) VZXPDPZARILFQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00265 C8H16N2O3 0.878 CC(=O)NC(CCCCN)C(=O)O InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) VEYYWZRYIYDQJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00266 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00267 C12H22O11 0.878 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00268 C12H22O11 0.878 C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2 PVXPPJIGRGXGCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00269 C12H22O11 0.878 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 DLRVVLDZNNYCBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00270 C12H22O11 0.878 C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2 RULSWEULPANCDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0403_00271 C10H17NO5 0.878 C(CCCC(=O)O)CCC(=O)NCC(=O)O InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) HXATVKDSYDWTCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00272 C18H32O16 0.879 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2 MUPFEKGTMRGPLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0403_00273 C5H8O3 0.879 CC(=O)CCC(=O)O InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) JOOXCMJARBKPKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0403_00274 C18H32O16 0.879 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2 FYGDTMLNYKFZSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0403_00275 C15H23N5O14P2 0.879 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18) SRNWOUGRCWSEMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00276 C11H19N3O6 0.879 CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20) JCMUOFQHZLPHQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00277 C6H13NO4 0.88 C(CO)N(CCO)CC(=O)O InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) FSVCELGFZIQNCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00278 C10H14N5O6P 0.88 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19) KHWCHTKSEGGWEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0403_00279 C10H16N5O12P3 0.88 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19) SUYVUBYJARFZHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0403_00280 C6H12O5 0.88 C1C(C(C(C(O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2 MPCAJMNYNOGXPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00281 C21H29N7O14P2 0.88 C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25) BOPGDPNILDQYTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00282 C24H42O21 0.88 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2 UQZIYBXSHAGNOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0403_00283 C21H27N6O15P2 0.88 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1 DGVSIBCCYUVRNA-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00284 C10H14N5O7P 0.881 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00285 C6H6O4 0.881 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0403_00286 C10H15N5O9P2 0.881 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19) DAEAPNUQQAICNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0403_00287 C10H14N5O7P 0.881 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0403_00288 C7H14O6 0.882 COC1C(C(C(C(O1)CO)O)O)O InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3 HOVAGTYPODGVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00289 C5H10O3 0.882 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00290 C5H10O3 0.882 CCC(CO)C(=O)O InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZMZQVAUJTDKQGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00291 C6H5NO2 0.883 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00292 C5H10N2O3S 0.883 C(C(C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9) ZUKPVRWZDMRIEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00293 C11H19NO8 0.883 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17) MNLRQHMNZILYPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00294 C2H6O4S 0.884 CCOS(=O)(=O)O InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5) KIWBPDUYBMNFTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0403_00295 C21H36N7O16P3S 0.884 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35) RGJOEKWQDUBAIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0403_00296 C4H5N3O 0.885 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00297 C6H6O6 0.885 C(C(C1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2 SBJKKFFYIZUCET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00298 C4H7N3O 0.886 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00299 C8H16N2O4S2 0.886 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00300 C16H25N5O15P2 0.886 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19) WFPZSXYXPSUOPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00301 C9H10N2O5 0.886 C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14) FBTSQILOGYXGMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00302 C6H11NO3 0.887 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00303 C5H9NO3 0.887 CC(C(=O)O)NC(=O)C InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9) KTHDTJVBEPMMGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00304 C16H26N2O16P2 0.887 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25) YSYKRGRSMLTJNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00305 C9H10O7S 0.888 COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) IACOAKYXFIWAQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00306 C6H14N4O2 0.889 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00307 C8H15NO6 0.889 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00308 C8H15NO6 0.889 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00309 C6H11NO2 0.889 C1CCNC(C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) HXEACLLIILLPRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00310 C8H15NO6 0.889 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00311 C7H6O3 0.89 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00312 C9H10O5 0.892 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00313 C9H10O5 0.892 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00314 C7H7NO3 0.894 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00315 C6H10O6 0.894 C(C1C(C(C(C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2 PHOQVHQSTUBQQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00316 C9H12N3O7P 0.894 C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14) NMPZCCZXCOMSDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0403_00317 C5H11NO2 0.895 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00318 C5H6N2O3 0.896 C1=C(C(=O)NC(=O)N1)CO InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) JDBGXEHEIRGOBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00319 C5H4N4O2 0.897 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00320 C4H4N2O2 0.9 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00321 C5H4O3 0.905 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0403_00322 C5H9NO3S 0.906 CC(=O)NC(CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9) PWKSKIMOESPYIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00323 C4H6O2 0.906 CC=CC(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) LDHQCZJRKDOVOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00324 C9H8O4 0.914 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0403_00325 C9H8O4 0.914 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0403_00326 C4H11NO2 0.916 C(CO)NCCO 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derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00362 C7H7NO2 1.602 C1=CC=C(C(=C1)C(=O)O)N InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) RWZYAGGXGHYGMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0403_00363 C9H13N3O4 1.61 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0403_00364 C5H8O2 1.642 CC=C(C)C(=O)O InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7) UIERETOOQGIECD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00365 C7H7NO4 1.646 C1=COC(=C1)C(=O)NCC(=O)O InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10) KSPQDMRTZZYQLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00366 C6H6O2 1.656 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0403_00367 C10H9NO3 1.668 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00368 C9H14N4O5 1.672 C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17) RTRQQBHATOEIAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0403_00369 C9H17NO5 1.673 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0403_00370 C6H7NO3S 1.681 C1=CC=C(C(=C1)N)S(=O)(=O)O InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10) ZMCHBSMFKQYNKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) NA (NA) NA (NA) +0403_00371 C8H9NO3 1.699 CC1=NC=C(C(=C1O)C=O)CO InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 RADKZDMFGJYCBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0403_00372 C9H13NO3 1.701 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00373 C8H8O3 1.71 C1=CC(=CC(=C1)O)CC(=O)O InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FVMDYYGIDFPZAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0403_00374 C12H16O7 1.714 C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2 BJRNKVDFDLYUGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00375 C6H11NO3S 1.72 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00376 C13H16N2O5 1.721 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00377 C7H8N4O3 1.729 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00378 C9H12N2O5 1.738 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15) MXHRCPNRJAMMIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0403_00379 C10H7NO4 1.739 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00380 C5H4N4 1.751 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0403_00381 C11H12N2O3 1.753 C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) LDCYZAJDBXYCGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0403_00382 C10H12N5O7P 1.754 C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17) ZOOGRGPOEVQQDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0403_00383 C10H12N4O5 1.76 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00384 C4H5NO4S 1.779 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0403_00385 C10H13N5O5 1.78 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00386 C9H13NO2 1.794 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00387 C5H6N2O2 1.796 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0403_00388 C5H8N2O2 1.796 CC1CNC(=O)NC1=O InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) NBAKTGXDIBVZOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0403_00389 C8H11NO3 1.797 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0403_00390 C9H10O4 1.799 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00391 C8H17NO2 1.803 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00392 C7H8N4O3 1.804 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00393 C5H5N5 1.805 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0403_00394 C9H8O4 1.805 C1=CC(=CC=C1CC(=O)C(=O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) KKADPXVIOXHVKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpyruvic acid derivatives (CHEMONTID:0001276) NA (NA) NA (NA) +0403_00395 C9H9NO4 1.847 C1=CC(=CC(=C1)O)C(=O)NCC(=O)O InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) XDOFWFNMYJRHEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00396 C6H6O3 1.856 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0403_00397 C6H6N2O 1.88 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0403_00398 C12H17N4OS 1.884 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 JZRWCGZRTZMZEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Thiamines (CHEMONTID:0001285) NA (NA) +0403_00399 C10H12N5O6P 1.893 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0403_00400 C7H13NO3S 1.896 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00401 C9H9NO4 1.902 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00402 C10H12N2O3 1.904 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00403 C2H4OS 1.914 CC(=O)S InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carbothioic S-acids (CHEMONTID:0003107) NA (NA) NA (NA) NA (NA) +0403_00404 C10H7NO2 1.924 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00405 C6H12O3 1.926 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00406 C6H12O3 1.926 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00407 C6H12O3 1.926 CCC(C)C(C(=O)O)O InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) RILPIWOPNGRASR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00408 C9H10O4 1.935 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0403_00409 C7H11NO3 1.948 CC=C(C)C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10) WRUSVQOKJIDBLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00410 C8H11NO 1.949 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00411 C7H13NO3 1.959 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00412 C15H16O9 2.149 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0403_00413 C8H6O3 2.174 C1=CC=C(C=C1)C(=O)C(=O)O InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) FAQJJMHZNSSFSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0403_00414 C10H12N2O 2.189 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0403_00415 C9H11NO2 2.2 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00416 C16H22N6O4 2.203 C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25) XNSAINXGIQZQOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00417 C8H10N4O3 2.221 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00418 C10H14N2O5 2.222 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0403_00419 C10H12N5O6P 2.227 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0403_00420 C7H5NO3S 2.237 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0403_00421 C7H7NO3 2.251 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00422 C9H13NO 2.3 CNCCC1=CC=C(C=C1)O InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00423 C9H13NO2 2.321 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00424 C9H9NO3 2.333 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00425 C10H13N5O4 2.344 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00426 C8H8O3 2.406 C1=CC=C(C(=C1)CC(=O)O)O InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CCVYRRGZDBSHFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0403_00427 C10H9NO2 2.406 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00428 C7H6O2 2.421 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0403_00429 C7H8N2O 2.444 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0403_00430 C9H10N2O4 2.458 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13) GTVVZTAFGPQSPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00431 C10H7NO3 2.476 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00432 C8H9NO4 2.481 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00433 C8H9NO2 2.49 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00434 C11H12N2O2 2.517 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00435 C9H9NO4 2.523 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ONJSZLXSECQROL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00436 C6H10O3 2.524 CC(C)CC(=O)C(=O)O InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0403_00437 C10H9NO2 2.542 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00438 C8H7NO4S 2.551 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) BXFFHSIDQOFMLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) NA (NA) NA (NA) +0403_00439 C9H10O3 2.557 C1=CC(=CC=C1CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) NMHMNPHRMNGLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00440 C11H12N2O2 2.576 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00441 C11H11NO3 2.582 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00442 C5H10N2O3 2.602 CC(C(=O)NCC(=O)[O-])[NH3+] InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9) CXISPYVYMQWFLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00443 C13H16N2O4 2.603 C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19) JFLIEFSWGNOPJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00444 C7H8N4O2 2.605 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00445 C10H18N2O3 2.648 CC1C(NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15) AUTOLBMXDDTRRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0403_00446 C6H5NO3 2.649 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0403_00447 C11H11NO3 2.653 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00448 C8H8O3 2.667 COC1=C(C=CC(=C1)C=O)O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00449 C10H12O4 2.671 COC1=C(C=C(C=C1)CC(=O)O)OC InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) WUAXWQRULBZETB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0403_00450 C7H8N4O2 2.701 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00451 C7H8O3S 2.713 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0403_00452 C27H33N9O15P2 2.721 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43) VWWQXMAJTJZDQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +0403_00453 C8H15NO3 2.724 CC(C)CC(C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12) WXNXCEHXYPACJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00454 C13H16O7 2.728 CC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18) JPAUCQAJHLSMQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00455 C10H11NO3 2.737 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00456 C9H10O2 2.743 CC(=O)OCC1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 QUKGYYKBILRGFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyloxycarbonyls (CHEMONTID:0001097) NA (NA) NA (NA) +0403_00457 C15H14O6 2.751 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0403_00458 C10H11NO3 2.762 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00459 C10H13N5O3 2.766 CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13) XGYIMTFOTBMPFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0403_00460 C8H11NO 2.767 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0403_00461 C13H18O7 2.783 C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 NGFMICBWJRZIBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00462 C7H8O2 2.808 C1=CC(=CC(=C1)O)CO InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 OKVJCVWFVRATSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00463 C8H8O4 2.828 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00464 C6H6O2 2.837 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00465 C7H8O4S 2.842 CC1=CC=C(C=C1)OS(=O)(=O)O InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) WGNAKZGUSRVWRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00466 C11H15N5O4 2.879 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00467 C8H9NO 2.893 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0403_00468 C8H7NO 2.904 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00469 C11H9NO3 2.905 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00470 C9H10O3 2.913 C1=CC=C(C(=C1)CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00471 C7H6O4 2.923 C1=CC(=C(C(=C1)O)C(=O)O)O InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) AKEUNCKRJATALU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00472 C12H14N2O2 2.937 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00473 C21H31N3O5 2.942 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00474 C6H12O2 2.949 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00475 C8H15N7O2S3 2.966 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0403_00476 C11H13NO3 2.975 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00477 C13H14N2O3 2.981 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00478 C13H14N2O3 2.981 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00479 C10H7NO2 3.03 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00480 C26H42N7O17P3S 3.053 CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) BXIPALATIYNHJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0403_00481 C13H21NO3 3.091 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00482 C8H8O3 3.111 CC(=O)OC1=CC=CC(=C1)O InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3 ZZPKZRHERLGEKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0403_00483 C11H11NO2 3.119 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00484 C18H16O8 3.133 C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25) DOUMFZQKYFQNTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0403_00485 C8H8O3 3.141 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00486 C7H6O 3.155 C1=CC=C(C=C1)C=O InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H HUMNYLRZRPPJDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0403_00487 C7H8O 3.158 C1=CC=C(C=C1)CO InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 WVDDGKGOMKODPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00488 C13H14N2O3 3.177 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00489 C7H7NO2 3.178 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0403_00490 C8H8O3 3.205 CC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00491 C15H14O6 3.207 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0403_00492 C14H22N2O3 3.217 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0403_00493 C6H6N4S 3.226 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0403_00494 C8H15NO3 3.235 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00495 C9H8O2 3.249 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0403_00496 C9H8O2 3.249 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0403_00497 C11H13N3O 3.309 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) JLSKPBDKNIXMBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00498 C7H11NO2 3.346 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0403_00499 C10H12N2 3.351 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00500 C11H13NO3 3.354 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00501 C11H15N5O3S 3.355 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0403_00502 C10H15NO 3.397 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00503 C11H14N2O 3.399 COC1=CC2=C(C=C1)NC=C2CCN InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 JTEJPPKMYBDEMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00504 C8H8O3 3.401 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00505 C17H20N4O6 3.437 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0403_00506 C11H11NO3 3.441 C1=CC=C(C=C1)C=CC(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15) YAADMLWHGMUGQL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00507 C13H21N3O 3.445 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0403_00508 C10H10N2O 3.465 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00509 C7H6O2 3.466 C1=CC(=CC(=C1)O)C=O InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H IAVREABSGIHHMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0403_00510 C15H10O8 3.468 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0403_00511 C10H16N6S 3.507 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0403_00512 C11H14N2 3.532 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00513 C21H24O10 3.554 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2 IOUVKUPGCMBWBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0403_00514 C8H9NO 3.622 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0403_00515 C12H13NO2 3.664 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00516 C14H18N2O5 3.694 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0403_00517 C36H38N4O8 3.696 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0403_00518 C16H19N3O4S 3.7 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00519 C12H21N5O2S2 3.728 CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3 SGXXNSQHWDMGGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0403_00520 C7H8O2 3.735 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00521 C8H7NO 3.748 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00522 C10H12O2 3.816 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0403_00523 C11H17NO3 3.882 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0403_00524 C7H8O2 3.883 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00525 C10H12O2 3.884 C1=CC=C(C=C1)CCCC(=O)O InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0403_00526 C10H20O3 3.959 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00527 C15H23N3O4S 3.988 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0403_00528 C9H10O3 3.996 COC(=O)CC1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 XGDZEDRBLVIUMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00529 C8H14O2S2 4.025 C1CSSC1CCCCC(=O)O InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10) AGBQKNBQESQNJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoic acids and derivatives (CHEMONTID:0001116) NA (NA) NA (NA) +0403_00530 C9H7NO 4.039 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0403_00531 C9H7NO 4.039 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0403_00532 C13H16N2O2 4.045 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00533 C13H22N4O3S 4.122 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0403_00534 C8H10O3 4.143 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00535 C7H14O2 4.15 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00536 C14H12O3 4.157 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0403_00537 C9H10O4 4.197 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00538 C8H16O3 4.199 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00539 C10H11NO 4.218 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00540 C28H34O15 4.263 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 ARGKVCXINMKCAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0403_00541 C10H9NO 4.292 C1=CC=C2C(=C1)C(=CN2)CC=O InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 WHOOUMGHGSPMGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00542 C7H7NO3 4.31 CC1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 SYDNSSSQVSOXTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0403_00543 C11H8O3 4.327 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) SJJCQDRGABAVBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalenecarboxylic acids and derivatives (CHEMONTID:0001871) Naphthalenecarboxylic acids (CHEMONTID:0002421) NA (NA) +0403_00544 C8H16O2 4.333 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00545 C10H8N2 4.439 C1=CC=C2C(=C1)C(=CN2)CC#N InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 DMCPFOBLJMLSNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00546 C12H18N2O3S 4.442 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0403_00547 C9H9NO 4.444 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0403_00548 C11H14O2 4.448 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00549 C16H29N3O6S 4.462 CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25) HXJDWCWJDCOHDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00550 C9H11NO2 4.514 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0403_00551 C18H28N2O4 4.607 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00552 C24H29N5O3 4.612 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00553 C8H15NOS2 4.651 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0403_00554 C16H14O3 4.653 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0403_00555 C18H24O3 4.664 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0403_00556 C8H16O2 4.685 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00557 C10H19NO3 4.737 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00558 C8H7N 4.768 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0403_00559 C10H13N5 4.773 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0403_00560 C9H10N2 4.791 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0403_00561 C8H16O2 4.796 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00562 C13H16N2O2 4.854 CCOC(=O)C(CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3 DABYEOZXRSTEGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00563 C12H24O3 4.874 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00564 C11H11NO2 4.883 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00565 C21H28O5 4.903 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00566 C16H12O4 4.905 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0403_00567 C15H29NO4 4.953 CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3 CXTATJFJDMJMIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0403_00568 C24H40O5 4.999 CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) BHQCQFFYRZLCQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0403_00569 C21H30O5 5.074 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00570 C16H13NO3S 5.164 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) FWEOQOXTVHGIFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 1-naphthalene sulfonates (CHEMONTID:0003600) +0403_00571 C10H12O3 5.222 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0403_00572 C12H13NO2 5.236 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00573 C16H28N2O4 5.247 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) VSZGPKBBMSAYNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00574 C26H45NO6S 5.286 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33) BHTRKEVKTKCXOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0403_00575 C21H30O4 5.295 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3 OMFXVFTZEKFJBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00576 C10H14O 5.296 CC1=CCC(CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 ULDHMXUKGWMISQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0403_00577 C13H18O2 5.297 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00578 C23H32O6 5.307 CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3 ALEXXDVDDISNDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0403_00579 C25H28N6O 5.309 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0403_00580 C21H30O4 5.317 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00581 C10H20O2 5.349 CCCCC(CC)CCC(=O)O InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) PWKJMPFEQOHBAC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00582 C10H12O2 5.355 CC=CC1=CC(=C(C=C1)O)OC InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3 BJIOGJUNALELMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00583 C10H20O2 5.389 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2 GHVNFZFCNZKVNT-KIJKOTCYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00584 C10H20O2 5.395 CCCCCCCCCC(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) GHVNFZFCNZKVNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) diff --git a/processed_data/0403/0403_rtdata_isomeric_success.tsv b/processed_data/0403/0403_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..bd301690d --- /dev/null +++ b/processed_data/0403/0403_rtdata_isomeric_success.tsv @@ -0,0 +1,585 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0403_00001 C6H18O24P6 0.653 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) IMQLKJBTEOYOSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00002 C6H14O12P2 0.688 C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1 RNBGYGVWRKECFJ-VRPWFDPXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00003 C6H8O6 0.692 C(C(CC(=O)O)C(=O)O)C(=O)O InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KQTIIICEAUMSDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00004 C6H8O7 0.702 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00005 C6H8O7 0.702 C(C(C(C(=O)O)O)C(=O)O)C(=O)O InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13) ODBLHEXUDAPZAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00006 C6H6O6 0.702 C(/C(=C\C(=O)O)/C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ GTZCVFVGUGFEME-HNQUOIGGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00007 C6H6O6 0.702 C(/C(=C/C(=O)O)/C(=O)O)C(=O)O InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1- GTZCVFVGUGFEME-IWQZZHSRSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0403_00008 C21H28N6O18P3 0.703 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1 QOTXBMGJKFVZRD-HISDBWNOSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00009 C6H13O10P 0.706 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 BIRSGZKFKXLSJQ-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00010 C9H15N3O11P2 0.709 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 ZWIADYZPOWUWEW-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0403_00011 C9H16N3O14P3 0.709 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 PCDQPRRSZKQHHS-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00012 C3H7O7P 0.71 C(C(C(=O)O)OP(=O)(O)O)O InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) GXIURPTVHJPJLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00013 C3H5O6P 0.711 C=C(C(=O)O)OP(=O)(O)O InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) DTBNBXWJWCWCIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) NA (NA) NA (NA) +0403_00014 C3H7O7P 0.712 C(C(C(=O)O)O)OP(=O)(O)O InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9) OSJPPGNTCRNQQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00015 C10H13N4O9P 0.713 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 DCTLYFZHFGENCW-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00016 C5H12O11P2 0.713 C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1 YAHZABJORDUQGO-NQXXGFSBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00017 C9H15N2O15P3 0.716 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 PGAVKCOVUIYSFO-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside triphosphates (CHEMONTID:0001622) NA (NA) +0403_00018 C10H15N5O10P2 0.72 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 WHTCPDAXWFLDIH-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0403_00019 C4H6O5 0.722 C(C(C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) BJEPYKJPYRNKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00020 C4H6O5 0.722 C([C@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 BJEPYKJPYRNKOW-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00021 C4H6O5 0.722 C([C@@H](C(=O)O)O)C(=O)O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 BJEPYKJPYRNKOW-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00022 C15H22N2O18P2 0.726 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 HDYANYHVCAPMJV-LXQIFKJMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00023 C3H8NO6P 0.727 C(C(C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) BZQFBWGGLXLEPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00024 C3H8NO6P 0.727 C([C@@H](C(=O)O)N)OP(=O)(O)O InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 BZQFBWGGLXLEPQ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00025 C6H13O9P 0.727 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 GSXOAOHZAIYLCY-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00026 C6H13O9P 0.727 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 VFRROHXSMXFLSN-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00027 C5H8O5 0.728 CC(CC(=O)O)(C(=O)O)O InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9) XFTRTWQBIOMVPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00028 C5H8O5 0.728 C(C(CC(=O)O)O)C(=O)O InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) ZQHYXNSQOIDNTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00029 C5H11O8P 0.728 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1 KTVPXOYAKDPRHY-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00030 C5H8O5 0.728 C(CC(=O)O)[C@@H](C(=O)O)O InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1 HWXBTNAVRSUOJR-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Short-chain hydroxy acids and derivatives (CHEMONTID:0000266) NA (NA) NA (NA) +0403_00031 C9H14N2O12P2 0.73 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 XCCTYIAWTASOJW-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside diphosphates (CHEMONTID:0001621) NA (NA) +0403_00032 C6H10O8 0.73 [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1 DSLZVSRJTYRBFB-LLEIAEIESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00033 C6H10O8 0.73 [C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4- DSLZVSRJTYRBFB-DUHBMQHGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00034 C5H6O5 0.731 C(CC(=O)O)C(=O)C(=O)O InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) KPGXRSRHYNQIFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives (CHEMONTID:0001115) NA (NA) NA (NA) +0403_00035 C4H6O4 0.731 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00036 C3H4O4 0.731 C(C(=O)O)C(=O)O InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00037 C4H6O4 0.731 C(CC(=O)O)C(=O)O InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00038 C4H4O4 0.731 C(=C\C(=O)O)\C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- VZCYOOQTPOCHFL-UPHRSURJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00039 C4H4O4 0.731 C(=C/C(=O)O)\C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ VZCYOOQTPOCHFL-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00040 C3H4O3 0.733 CC(=O)C(=O)O InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) LCTONWCANYUPML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0403_00041 C6H10O5 0.733 CC(CC(=O)O)(CC(=O)O)O InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) NPOAOTPXWNWTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00042 C6H9NO5 0.733 CC(=O)N[C@@H](CC(=O)O)C(=O)O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00043 C6H10O5 0.733 C(CC(C(=O)O)O)CC(=O)O InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11) OTTXIFWBPRRYOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00044 C5H8O4 0.734 C(CC(=O)O)CC(=O)O InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00045 C5H8O4 0.734 CC(CC(=O)O)C(=O)O InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) WXUAQHNMJWJLTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00046 C5H8O4 0.734 CCC(C(=O)O)C(=O)O InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0403_00047 C9H15N2O14P3 0.734 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 AHCYMLUZIRLXAA-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside triphosphates (CHEMONTID:0002153) Pyrimidine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002162) +0403_00048 C3H2O5 0.736 C(=O)(C(=O)O)C(=O)O InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8) XEEVLJKYYUVTRC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0403_00049 C10H16N5O14P3 0.737 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 XKMLYUALXHKNFT-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00050 C4H6O6 0.737 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 FEWJPZIEWOKRBE-LWMBPPNESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00051 C4H6O6 0.737 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 FEWJPZIEWOKRBE-JCYAYHJZSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00052 C4H10N3O5P 0.737 CN(CC(=O)O)C(=NP(=O)(O)O)N InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) DRBBFCLWYRJSJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00053 C3H9O6P 0.738 C(C(CO)OP(=O)(O)O)O InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8) DHCLVCXQIBBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphates (CHEMONTID:0002214) NA (NA) NA (NA) +0403_00054 C9H15N3O10P2 0.738 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 FTDHDKPUHBLBTL-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organic oxoanionic compounds (CHEMONTID:0000463) Organic pyrophosphates (CHEMONTID:0001804) NA (NA) NA (NA) +0403_00055 C6H8O5 0.74 C(CC(=O)C(=O)O)CC(=O)O InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) FGSBNBBHOZHUBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0403_00056 C6H10O4 0.74 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00057 C6H10O4 0.74 CC(CCC(=O)O)C(=O)O InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) AQYCMVICBNBXNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00058 C6H10O4 0.74 CC(CC(=O)O)CC(=O)O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00059 C6H10O4 0.74 COC(=O)CCCC(=O)O InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) IBMRTYCHDPMBFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Fatty acid methyl esters (CHEMONTID:0003417) NA (NA) +0403_00060 C3H4O3S 0.743 C(C(=O)C(=O)O)S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Alpha-keto acids and derivatives (CHEMONTID:0001113) NA (NA) NA (NA) +0403_00061 C6H13O9P 0.744 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00062 C6H13O9P 0.744 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1 HXXFSFRBOHSIMQ-FPRJBGLDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Monosaccharide phosphates (CHEMONTID:0001541) +0403_00063 C2H5O5P 0.746 C(C(=O)O)P(=O)(O)O InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) XUYJLQHKOGNDPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0403_00064 C10H14N4O11P2 0.747 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 JPXZQMKKFWMMGK-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00065 C3H7NO5S 0.747 C(C(C(=O)O)N)S(=O)(=O)O InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9) XVOYSCVBGLVSOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00066 C5H6O4 0.748 C=C(CC(=O)O)C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) LVHBHZANLOWSRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) NA (NA) +0403_00067 C5H6O4 0.748 C/C(=C/C(=O)O)/C(=O)O InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2- HNEGQIOMVPPMNR-IHWYPQMZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00068 C10H15N5O11P2 0.751 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 QGWNDRXFNXRZMB-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00069 C3H5NO4 0.753 C(C(=O)O)(C(=O)O)N InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8) JINBYESILADKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00070 C6H8O4 0.753 C/C(=C\C(=O)O)/CC(=O)O InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+ WKRBKYFIJPGYQC-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00071 C9H13N2O9P 0.754 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 DJJCXFVJDGTHFX-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0403_00072 C10H15N4O14P3 0.754 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 HAEJPQIATWHALX-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00073 C7H11NO5 0.756 CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13) RFMMMVDNIPUKGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00074 C4H7NO4 0.757 C([C@@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 CKLJMWTZIZZHCS-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00075 C4H7NO4 0.757 C([C@H](C(=O)O)N)C(=O)O InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 CKLJMWTZIZZHCS-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00076 C4H6O2 0.758 CC(=O)C(=O)C InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 QSJXEFYPDANLFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Alpha-diketones (CHEMONTID:0001223) +0403_00077 C5H9NO4 0.758 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and 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derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00080 C6H11NO4 0.761 C(CC(C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) OYIFNHCXNCRBQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00081 C6H11NO4 0.761 C(C[C@@H](C(=O)O)N)CC(=O)O InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 OYIFNHCXNCRBQI-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00082 C6H10O7 0.761 [C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1 AEMOLEFTQBMNLQ-AQKNRBDQSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00083 C6H11NO4 0.761 CN[C@@H](CCC(=O)O)C(=O)O InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 XLBVNMSMFQMKEY-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00084 C6H10O7 0.761 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1 AEMOLEFTQBMNLQ-WAXACMCWSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0403_00085 C5H11NO2 0.762 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0403_00086 C4H8N4O4 0.764 C(C(=O)O)(NC(=O)N)NC(=O)N InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) NUCLJNSWZCHRKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00087 C7H12O4 0.764 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00088 C7H5NO4 0.764 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00089 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 HSCJRCZFDFQWRP-JZMIEXBBSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00090 C7H12O4 0.764 CC(CCC(=O)O)CC(=O)O InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) SYEOWUNSTUDKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00091 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1 HSCJRCZFDFQWRP-ABVWGUQPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00092 C15H24N2O17P2 0.764 C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m0/s1 HSCJRCZFDFQWRP-LPTOLDDLSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00093 C2H8NO3P 0.769 C(CP(=O)(O)O)N InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) QQVDJLLNRSOCEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0403_00094 C3H7NO4S 0.769 C([C@@H](C(=O)O)N)S(=O)O InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 ADVPTQAUNPRNPO-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00095 C21H29N7O17P3 0.77 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 XJLXINKUBYWONI-NNYOXOHSSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00096 C5H4N2O4 0.77 C1=C(C(=O)NC(=O)N1)C(=O)O InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) ZXYAAVBXHKCJJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0403_00097 C5H9N3O4 0.77 C([C@@H](C(=O)O)N=C(N)N)C(=O)O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1 VVHOUVWJCQOYGG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00098 C2H8NO4P 0.771 C(COP(=O)(O)O)N InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) SUHOOTKUPISOBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Phosphoethanolamines (CHEMONTID:0001266) NA (NA) +0403_00099 C8H6O4 0.771 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0403_00100 C10H16N5O13P3 0.771 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ZKHQWZAMYRWXGA-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside triphosphates (CHEMONTID:0001619) NA (NA) +0403_00101 C3H6O4 0.771 C([C@H](C(=O)O)O)O InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1 RBNPOMFGQQGHHO-UWTATZPHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00102 C10H16N5O13P3 0.771 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 HAAZLUGHYHWQIW-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0403_00103 C6H12O7 0.772 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 RGHNJXZEOKUKBD-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) NA (NA) +0403_00104 C9H14N3O7P 0.772 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 NCMVOABPESMRCP-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0403_00105 C6H13NO8S 0.772 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 MTDHILKWIRSIHB-QZABAPFNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00106 C7H6O5 0.774 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0403_00107 C16H25N5O16P2 0.774 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1 MVMSCBBUIHUTGJ-GDJBGNAASA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00108 C7H14N2O4 0.776 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 GMKMEZVLHJARHF-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00109 C2H6O4S 0.777 C(CS(=O)(=O)O)O InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) SUMDYPCJJOFFON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0403_00110 C7H10O5 0.779 C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 JXOHGGNKMLTUBP-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00111 C9H15N4O8P 0.779 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 NOTGFIUVDGNKRI-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Imidazole ribonucleosides and ribonucleotides (CHEMONTID:0001997) 1-ribosyl-imidazolecarboxamides (CHEMONTID:0001420) NA (NA) NA (NA) +0403_00112 C7H12O6 0.781 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 AAWZDTNXLSGCEK-LNVDRNJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0403_00113 C6H8O6 0.781 C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1 UYUXSRADSPPKRZ-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00114 C6H8O6 0.781 C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 CIWBSHSKHKDKBQ-JLAZNSOCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0403_00115 C10H13N4O8P 0.781 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00116 C3H7NO2 0.782 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00117 C3H7NO2 0.782 C[C@@H](C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 QNAYBMKLOCPYGJ-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues 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C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00138 C8H20NO6P 0.809 C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m0/s1 SUHOQUVVVLNYQR-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0403_00139 C5H12N2O3S 0.809 CS(=N)(=O)CC[C@@H](C(=O)O)N InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1 SXTAYKAGBXMACB-DPVSGNNYSA-N Organic compounds (CHEMONTID:0000000) 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Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0403_00147 C5H9NO3 0.813 C1C(CNC1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9) PMMYEEVYMWASQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00148 C5H9NO3 0.813 C1[C@H](CN[C@@H]1C(=O)O)O InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 PMMYEEVYMWASQN-DMTCNVIQSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) 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(CHEMONTID:0000060) +0403_00151 C8H20NO6P 0.813 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0403_00152 C6H12O6 0.817 [2H][C@@]1([C@]([C@@](OC([C@]1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D WQZGKKKJIJFFOK-QCQRZMBHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0403_00153 C11H19NO9 0.818 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0403_00154 C9H20N2O2 0.819 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1 MXNRLFUSFKVQSK-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00155 C8H8O5 0.82 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00156 C6H14O6 0.822 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00157 C6H14O6 0.822 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00158 C6H12O5 0.822 C1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1 PMMURAAUARKVCB-CERMHHMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00159 C7H12O5 0.825 CC(C)[C@@](CC(=O)O)(C(=O)O)O InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 BITYXLXUCSKTJS-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00160 C3H7N3O2 0.826 C(C(=O)O)N=C(N)N InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) BPMFZUMJYQTVII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00161 C4H6N4O3 0.827 C1(C(=O)NC(=O)N1)NC(=O)N InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) POJWUDADGALRAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0403_00162 C7H6O6S 0.827 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) YCPXWRQRBFJBPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Sulfobenzoic acids (CHEMONTID:0000034) 3-sulfobenzoic acids (CHEMONTID:0002761) +0403_00163 C7H12O3 0.827 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0403_00164 C4H5NO3 0.828 C(=C\C(=O)O)\C(=O)N InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1- FSQQTNAZHBEJLS-UPHRSURJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00165 C4H7NO2 0.829 C1CC1(C(=O)O)N InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) PAJPWUMXBYXFCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00166 C9H13N2O8P 0.829 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 JSRLJPSBLDHEIO-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +0403_00167 C5H9NO4 0.83 CC(=O)NC(CO)C(=O)O InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) JJIHLJJYMXLCOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00168 C6H13N3O3 0.831 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00169 C7H15NO3 0.831 C[N+](C)(C)C[C@@H](CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 PHIQHXFUZVPYII-ZCFIWIBFSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0403_00170 C6H14N2O3 0.832 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00171 C6H14N2O3 0.832 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00172 C8H13NO6 0.836 C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1 GNISQJGXJIDKDJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00173 C6H10N2O4 0.837 CC(=O)N[C@@H](CC(=O)N)C(=O)O InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1 HXFOXFJUNFFYMO-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00174 C4H9NO2 0.839 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00175 C5H12O5 0.839 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00176 C4H9NO2 0.839 CC(C)(C(=O)O)N InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00177 C4H9NO2 0.839 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00178 C5H12O5 0.839 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00179 C4H9NO2 0.839 CC(CN)C(=O)O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QCHPKSFMDHPSNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0403_00180 C5H12O5 0.839 C([C@@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1 HEBKCHPVOIAQTA-IMJSIDKUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00181 C4H9NO2 0.839 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00182 C7H15NO2 0.842 C[N+](C)(C)CCCC(=O)[O-] InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 JHPNVNIEXXLNTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00183 C12H22O11 0.842 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 GUBGYTABKSRVRQ-DCSYEGIMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00184 C5H12N2O2 0.844 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00185 C5H12N2O2 0.844 C(C[C@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1 AHLPHDHHMVZTML-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00186 C6H13NO5 0.844 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1 MSWZFWKMSRAUBD-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00187 C16H25N5O16P2 0.844 C1=NC2=C(N1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4?,5-,7?,8-,9?,10-,11?,14?,15?/m1/s1 MVMSCBBUIHUTGJ-YZUZGJIFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00188 C6H12O6 0.846 C1(C(C(C(C(C1O)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0403_00189 C6H12O6 0.846 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-GASJEMHNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00190 C6H12O6 0.846 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1 WQZGKKKJIJFFOK-SVZMEOIVSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00191 C6H12O6 0.846 C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 BJHIKXHVCXFQLS-OTWZMJIISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00192 C6H12O6 0.846 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1 WQZGKKKJIJFFOK-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00193 C6H12O6 0.846 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 WQZGKKKJIJFFOK-DVKNGEFBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00194 C6H12O6 0.846 C1[C@@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1 LKDRXBCSQODPBY-AMVSKUEXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00195 C6H12O6 0.846 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1 LKDRXBCSQODPBY-OEXCPVAWSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00196 C6H12O6 0.846 C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1 WQZGKKKJIJFFOK-IVMDWMLBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00197 C6H12O6 0.846 C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1 LKDRXBCSQODPBY-JDJSBBGDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00198 C6H12O6 0.846 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 LKDRXBCSQODPBY-VRPWFDPXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00199 C6H12O6 0.846 C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1 WQZGKKKJIJFFOK-QRXFDPRISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00200 C5H11NO2 0.847 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00201 C10H15N5O10P2 0.847 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 XTWYTFMLZFPYCI-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside diphosphates (CHEMONTID:0001618) NA (NA) +0403_00202 C4H7NO3 0.847 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00203 C5H6N2O4 0.847 C1[C@H](NC(=O)NC1=O)C(=O)O InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 UFIVEPVSAGBUSI-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00204 C5H7NO3 0.849 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00205 C5H7NO3 0.849 C1CC(=O)N[C@@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 ODHCTXKNWHHXJC-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00206 C5H7NO3 0.849 C1CC(=O)N[C@H]1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 ODHCTXKNWHHXJC-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00207 C5H10O5 0.852 C1C(C(C(C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 SRBFZHDQGSBBOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00208 C5H10O5 0.852 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 HMFHBZSHGGEWLO-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00209 C5H10O5 0.852 C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1 SRBFZHDQGSBBOR-IOVATXLUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00210 C4H10O4 0.852 C([C@H]([C@@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1 UNXHWFMMPAWVPI-QWWZWVQMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00211 C4H10O4 0.852 C([C@H]([C@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0403_00212 C5H10O5 0.852 C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1 SRBFZHDQGSBBOR-HWQSCIPKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00213 C5H10O5 0.852 C1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m1/s1 SRBFZHDQGSBBOR-AGQMPKSLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00214 C5H10O5 0.852 C1[C@H]([C@H]([C@H](C(O1)O)O)O)O InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5?/m1/s1 SRBFZHDQGSBBOR-SOOFDHNKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Pentoses (CHEMONTID:0001497) +0403_00215 C7H7NO3 0.853 C1=CC(=C(C=C1C(=O)O)N)O InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11) MRBKRZAPGUCWOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00216 C7H7NO3 0.853 C1=C(C=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11) QPEJHSFTZVMSJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00217 C6H14N2O2 0.855 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00218 C8H9NO3 0.855 C1=CC(=CC=C1[C@@H](C(=O)O)N)O InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 LJCWONGJFPCTTL-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00219 C7H6O6S 0.857 C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) RJTYSXVYCZAUHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00220 C7H6O6S 0.857 C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)O InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) MZYPOJMKJHCOQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00221 C4H8O3 0.86 CC(CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7) WHBMMWSBFZVSSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00222 C4H8O3 0.86 C[C@H](CC(=O)O)O InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 WHBMMWSBFZVSSR-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00223 C4H8O3 0.86 CC[C@@H](C(=O)O)O InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 AFENDNXGAFYKQO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Alpha hydroxy acids and derivatives (CHEMONTID:0001359) NA (NA) NA (NA) +0403_00224 C4H8O3 0.86 C[C@H](CO)C(=O)O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 DBXBTMSZEOQQDU-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0403_00225 C6H10O6 0.861 C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 SXZYCXMUPBBULW-SKNVOMKLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00226 C8H15NO6 0.862 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-FMDGEEDCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00227 C3H7NO2 0.863 C(CN)C(=O)O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0403_00228 C8H15NO2 0.863 C1CC(CCC1CN)C(=O)O InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11) GYDJEQRTZSCIOI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Amino acids (CHEMONTID:0004176) +0403_00229 C3H8N2O2 0.863 C([C@@H](C(=O)O)N)N InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1 PECYZEOJVXMISF-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00230 C6H5NO3 0.864 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00231 C6H9N3O2 0.865 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00232 C7H6O4 0.867 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00233 C7H6O4 0.867 C1=C(C=C(C=C1O)O)C(=O)O InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) UYEMGAFJOZZIFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00234 C5H4N2O4 0.868 C1=C(NC(=O)NC1=O)C(=O)O InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) PXQPEWDEAKTCGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0403_00235 C5H6N2O2 0.868 C1=C(NC=N1)CC(=O)O InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9) PRJKNHOMHKJCEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +0403_00236 C7H15N3O3 0.869 C(CCNC(=O)N)C[C@@H](C(=O)O)N InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 XIGSAGMEBXLVJJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00237 C6H10O5 0.871 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 TWNIBLMWSKIRAT-VFUOTHLCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0403_00238 C4H9N3O2 0.872 CN(CC(=O)O)C(=N)N InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) CVSVTCORWBXHQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00239 C19H19N7O6 0.872 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00240 C7H12N2O4 0.873 CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13) KSMRODHGGIIXDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00241 C7H6O5 0.874 C1=CC(=C(C(=C1C(=O)O)O)O)O InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) BRRSNXCXLSVPFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00242 C9H17NO4 0.874 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0403_00243 C7H7NO2 0.875 C[N+]1=CC=CC(=C1)C(=O)[O-] InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 WWNNZCOKKKDOPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) NA (NA) NA (NA) NA (NA) NA (NA) +0403_00244 C7H7NO2 0.875 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0403_00245 C9H14N4O3 0.875 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0403_00246 C5H4N4O3 0.876 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00247 C6H12O5 0.876 C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1 SHZGCJCMOBCMKK-JFNONXLTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00248 C10H15N5O10P2 0.876 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 CIKGWCTVFSRMJU-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0403_00249 C6H12O5 0.876 C[C@@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1 PNNNRSAQSRJVSB-KCDKBNATSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00250 C5H9NO2 0.877 C1C[C@@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 ONIBWKKTOPOVIA-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00251 C5H9NO2 0.877 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00252 C8H8O4 0.878 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00253 C8H8O4 0.878 C1=CC(=CC=C1C(C(=O)O)O)O InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00254 C5H11N3O2 0.878 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00255 C8H8O4 0.878 C1=CC(=C(C=C1CC(=O)O)O)O InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) CFFZDZCDUFSOFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00256 C12H22O11 0.878 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00257 C12H22O11 0.878 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1 GUBGYTABKSRVRQ-QUYVBRFLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl 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InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1 GUBGYTABKSRVRQ-CUHNMECISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00267 C12H22O11 0.878 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1 GUBGYTABKSRVRQ-PICCSMPSSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00268 C12H22O11 0.878 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1 PVXPPJIGRGXGCY-TZLCEDOOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00269 C12H22O11 0.878 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1 DLRVVLDZNNYCBX-ABXHMFFYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates 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acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00272 C18H32O16 0.879 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1 MUPFEKGTMRGPLJ-BQCSWRFHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0403_00273 C5H8O3 0.879 CC(=O)CCC(=O)O InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) JOOXCMJARBKPKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Gamma-keto acids and derivatives 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InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 SRNWOUGRCWSEMX-ZQSHOCFMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00276 C11H19N3O6 0.879 CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 JCMUOFQHZLPHQP-BQBZGAKWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00277 C6H13NO4 0.88 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C10H16N5O12P3 0.88 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 SUYVUBYJARFZHO-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside triphosphates (CHEMONTID:0002137) Purine 2'-deoxyribonucleoside triphosphates (CHEMONTID:0002145) +0403_00280 C6H12O5 0.88 C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 MPCAJMNYNOGXPB-SLPGGIOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0403_00281 C21H29N7O14P2 0.88 C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 BOPGDPNILDQYTO-NNYOXOHSSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00282 C24H42O21 0.88 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 UQZIYBXSHAGNOE-XNSRJBNMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Oligosaccharides (CHEMONTID:0000198) NA (NA) +0403_00283 C21H27N6O15P2 0.88 C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CNC5=O)O)O)O)O)C(=O)N InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 DGVSIBCCYUVRNA-NNYOXOHSSA-O Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0403_00284 C10H14N5O7P 0.881 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 UDMBCSSLTHHNCD-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0403_00285 C6H6O4 0.881 C1=C(OC(=C1)C(=O)O)CO InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) PCSKKIUURRTAEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0403_00286 C10H15N5O9P2 0.881 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O)O InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 DAEAPNUQQAICNR-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside diphosphates (CHEMONTID:0002136) Purine 2'-deoxyribonucleoside diphosphates (CHEMONTID:0002139) +0403_00287 C10H14N5O7P 0.881 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 LTFMZDNNPPEQNG-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0403_00288 C7H14O6 0.882 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1 HOVAGTYPODGVJG-VOQCIKJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0403_00289 C5H10O3 0.882 CCC(C)(C(=O)O)O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00290 C5H10O3 0.882 CCC(CO)C(=O)O InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZMZQVAUJTDKQGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00291 C6H5NO2 0.883 C1=CN=CC=C1C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) TWBYWOBDOCUKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00292 C5H10N2O3S 0.883 C([C@@H](C(=O)NCC(=O)O)N)S InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1 ZUKPVRWZDMRIEO-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00293 C11H19NO8 0.883 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m1/s1 MNLRQHMNZILYPY-MKFCKLDKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00294 C2H6O4S 0.884 CCOS(=O)(=O)O InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5) KIWBPDUYBMNFTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0403_00295 C21H36N7O16P3S 0.884 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 RGJOEKWQDUBAIZ-IBOSZNHHSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside bisphosphates (CHEMONTID:0000026) Purine ribonucleoside 3',5'-bisphosphates (CHEMONTID:0002209) +0403_00296 C4H5N3O 0.885 C1=C(NC(=O)N=C1)N InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) OPTASPLRGRRNAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00297 C6H6O6 0.885 C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 SBJKKFFYIZUCET-JLAZNSOCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0403_00298 C4H7N3O 0.886 CN1CC(=O)NC1=N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) DDRJAANPRJIHGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00299 C8H16N2O4S2 0.886 C(CSSCCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00300 C16H25N5O15P2 0.886 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 WFPZSXYXPSUOPY-ROYWQJLOSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine nucleotide sugars (CHEMONTID:0001293) NA (NA) NA (NA) +0403_00301 C9H10N2O5 0.886 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 FBTSQILOGYXGMD-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00302 C6H11NO3 0.887 CC(=O)NCCCC(=O)O InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) UZTFMUBKZQVKLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00303 C5H9NO3 0.887 C[C@@H](C(=O)O)NC(=O)C InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 KTHDTJVBEPMMGL-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00304 C16H26N2O16P2 0.887 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1 YSYKRGRSMLTJNL-URARBOGNSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine nucleotide sugars (CHEMONTID:0001296) NA (NA) NA (NA) +0403_00305 C9H10O7S 0.888 COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) IACOAKYXFIWAQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00306 C6H14N4O2 0.889 C(C[C@@H](C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 ODKSFYDXXFIFQN-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00307 C8H15NO6 0.889 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 OVRNDRQMDRJTHS-CBQIKETKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) N-acyl-alpha-hexosamines (CHEMONTID:0002276) +0403_00308 C8H15NO6 0.889 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-RTRLPJTCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00309 C6H11NO2 0.889 C1CCN[C@@H](C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 HXEACLLIILLPRG-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00310 C8H15NO6 0.889 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-ZTVVOAFPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0403_00311 C7H6O3 0.89 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00312 C9H10O5 0.892 COC1=C(C=CC(=C1)C(C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) CGQCWMIAEPEHNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00313 C9H10O5 0.892 COC1=C(C=CC(=C1)[C@@H](C(=O)O)O)O InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1 CGQCWMIAEPEHNQ-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00314 C7H7NO3 0.894 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00315 C6H10O6 0.894 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 PHOQVHQSTUBQQK-SQOUGZDYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0403_00316 C9H12N3O7P 0.894 C1=CN(C(=O)N=C1N)C2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 NMPZCCZXCOMSDQ-ZRTZXPPTSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Cyclic pyrimidine nucleotides (CHEMONTID:0001492) 2',3'-cyclic pyrimidine nucleotides (CHEMONTID:0001495) NA (NA) +0403_00317 C5H11NO2 0.895 CC(C)[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00318 C5H6N2O3 0.896 C1=C(C(=O)NC(=O)N1)CO InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) JDBGXEHEIRGOBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00319 C5H4N4O2 0.897 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00320 C4H4N2O2 0.9 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0403_00321 C5H4O3 0.905 C1=COC=C1C(=O)O InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) IHCCAYCGZOLTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furoic acids (CHEMONTID:0001448) NA (NA) +0403_00322 C5H9NO3S 0.906 CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 PWKSKIMOESPYIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00323 C4H6O2 0.906 C/C=C/C(=O)O InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ LDHQCZJRKDOVOX-NSCUHMNNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0403_00324 C9H8O4 0.914 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0403_00325 C9H8O4 0.914 C1=CC(=C(C=C1/C=C\C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- QAIPRVGONGVQAS-RQOWECAXSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0403_00326 C4H11NO2 0.916 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0403_00327 C5H11NO2 0.921 CCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 SNDPXSYFESPGGJ-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00328 C5H11NO2S 1.174 [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3 FFEARJCKVFRZRR-OSIBIXDNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00329 C9H11NO4 1.18 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 WTDRDQBEARUVNC-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00330 C7H6O3 1.182 C1=CC(=CC(=C1)O)C(=O)O InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) IJFXRHURBJZNAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00331 C6H14N2O 1.198 CC(=O)NCCCCN InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) KLZGKIDSEJWEDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0403_00332 C5H11NO2S 1.213 CSCC[C@@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 FFEARJCKVFRZRR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00333 C6H11N3O 1.228 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0403_00334 C6H12O3 1.235 CCC(CC)(C(=O)O)O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00335 C7H11N3O2 1.292 CN1C=NC=C1C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00336 C6H5NO2 1.295 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00337 C6H5NO2 1.295 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00338 C9H11NO3 1.32 [2H]C1=C(C(=C(C(=C1C[C@@H](C(=O)O)N)[2H])[2H])O)[2H] InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1D,2D,3D,4D OUYCCCASQSFEME-FCDGGRDXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00339 C9H11NO3 1.397 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00340 C10H12N2O4 1.43 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00341 C9H13N3O5 1.435 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 UHDGCWIWMRVCDJ-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0403_00342 C6H13NO2 1.452 CC[C@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 AGPKZVBTJJNPAG-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00343 C6H13NO2 1.452 CC[C@@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 AGPKZVBTJJNPAG-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives 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compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00375 C6H11NO3S 1.72 CSCC[C@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1 PYUSHNKNPOHWEZ-RXMQYKEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00376 C13H16N2O5 1.721 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0403_00377 C7H8N4O3 1.729 CN1C2=C(NC1=O)NC(=O)N(C2=O)C InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) NOFNCLGCUJJPKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00378 C9H12N2O5 1.738 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 MXHRCPNRJAMMIM-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0403_00379 C10H7NO4 1.739 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00380 C5H4N4 1.751 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0403_00381 C11H12N2O3 1.753 C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16) LDCYZAJDBXYCGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0403_00382 C10H12N5O7P 1.754 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 ZOOGRGPOEVQQDX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0403_00383 C10H12N4O5 1.76 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 UGQMRVRMYYASKQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00384 C4H5NO4S 1.779 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0403_00385 C10H13N5O5 1.78 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 NYHBQMYGNKIUIF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00386 C9H13NO2 1.794 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00387 C5H6N2O2 1.796 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0403_00388 C5H8N2O2 1.796 CC1CNC(=O)NC1=O InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) NBAKTGXDIBVZOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0403_00389 C8H11NO3 1.797 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0403_00390 C9H10O4 1.799 COC1=C(C=CC(=C1)CC(=O)O)O InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) QRMZSPFSDQBLIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00391 C8H17NO2 1.803 C(CCCC(=O)O)CCCN InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) UQXNEWQGGVUVQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00392 C7H8N4O3 1.804 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00393 C5H5N5 1.805 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0403_00394 C9H8O4 1.805 C1=CC(=CC=C1CC(=O)C(=O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) KKADPXVIOXHVKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpyruvic acid derivatives (CHEMONTID:0001276) NA (NA) NA (NA) +0403_00395 C9H9NO4 1.847 C1=CC(=CC(=C1)O)C(=O)NCC(=O)O InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) XDOFWFNMYJRHEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00396 C6H6O3 1.856 C1=CC(=C(C(=C1)O)O)O InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenetriols and derivatives (CHEMONTID:0001310) Pyrogallols and derivatives (CHEMONTID:0000397) 5-unsubstituted pyrrogallols (CHEMONTID:0004657) +0403_00397 C6H6N2O 1.88 C1=CC(=CN=C1)C(=O)N InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) DFPAKSUCGFBDDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0403_00398 C12H17N4OS 1.884 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 JZRWCGZRTZMZEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Thiamines (CHEMONTID:0001285) NA (NA) +0403_00399 C10H12N5O6P 1.893 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 KMYWVDDIPVNLME-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0403_00400 C7H13NO3S 1.896 CC(=O)NC(CCSC)C(=O)O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11) XUYPXLNMDZIRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00401 C9H9NO4 1.902 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00402 C10H12N2O3 1.904 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00403 C2H4OS 1.914 CC(=O)S InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) DUYAAUVXQSMXQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carbothioic S-acids (CHEMONTID:0003107) NA (NA) NA (NA) NA (NA) +0403_00404 C10H7NO2 1.924 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) VQMSRUREDGBWKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00405 C6H12O3 1.926 CC(C)C[C@@H](C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 LVRFTAZAXQPQHI-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00406 C6H12O3 1.926 CC(C)CC(C(=O)O)O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00407 C6H12O3 1.926 CC[C@@H](C)[C@H](C(=O)O)O InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 RILPIWOPNGRASR-RFZPGFLSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0403_00408 C9H10O4 1.935 COC1=C(C(=CC=C1)OC)C(=O)O InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11) MBIZFBDREVRUHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0403_00409 C7H11NO3 1.948 C/C=C(\C)/C(=O)NCC(=O)O InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+ WRUSVQOKJIDBLP-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00410 C8H11NO 1.949 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00411 C7H13NO3 1.959 CCC(C)C(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00412 C15H16O9 2.149 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0403_00413 C8H6O3 2.174 C1=CC=C(C=C1)C(=O)C(=O)O InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) FAQJJMHZNSSFSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0403_00414 C10H12N2O 2.189 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0403_00415 C9H11NO2 2.2 [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D COLNVLDHVKWLRT-HRVDQBBZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00416 C16H22N6O4 2.203 C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 XNSAINXGIQZQOO-SRVKXCTJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00417 C8H10N4O3 2.221 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00418 C10H14N2O5 2.222 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0403_00419 C10H12N5O6P 2.227 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0403_00420 C7H5NO3S 2.237 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0403_00421 C7H7NO3 2.251 C1=CC=C(C(=C1)C(=O)NO)O InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) HBROZNQEVUILML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00422 C9H13NO 2.3 CNCCC1=CC=C(C=C1)O InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 AXVZFRBSCNEKPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00423 C9H13NO2 2.321 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00424 C9H9NO3 2.333 [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)NCC(=O)O)[2H])[2H] InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D,5D QIAFMBKCNZACKA-RALIUCGRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00425 C10H13N5O4 2.344 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00426 C8H8O3 2.406 C1=CC=C(C(=C1)CC(=O)O)O InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CCVYRRGZDBSHFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetic acids (CHEMONTID:0000418) 2(hydroxyphenyl)acetic acids (CHEMONTID:0004644) NA (NA) +0403_00427 C10H9NO2 2.406 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D SEOVTRFCIGRIMH-SNOLXCFTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00428 C7H6O2 2.421 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0403_00429 C7H8N2O 2.444 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0403_00430 C9H10N2O4 2.458 C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-] InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1 GTVVZTAFGPQSPC-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00431 C10H7NO3 2.476 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00432 C8H9NO4 2.481 CC1=NC=C(C(=C1O)C(=O)O)CO InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) HXACOUQIXZGNBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0403_00433 C8H9NO2 2.49 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00434 C11H12N2O2 2.517 [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@@H](C(=O)O)N)[2H])[2H] InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D QIVBCDIJIAJPQS-HLTLGYGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00435 C9H9NO4 2.523 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) ONJSZLXSECQROL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00436 C6H10O3 2.524 CC(C)CC(=O)C(=O)O InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Short-chain keto acids and derivatives (CHEMONTID:0001416) NA (NA) NA (NA) +0403_00437 C10H9NO2 2.542 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00438 C8H7NO4S 2.551 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) BXFFHSIDQOFMLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) NA (NA) NA (NA) +0403_00439 C9H10O3 2.557 C1=CC(=CC=C1CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) NMHMNPHRMNGLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00440 C11H12N2O2 2.576 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00441 C11H11NO3 2.582 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00442 C5H10N2O3 2.602 C[C@@H](C(=O)NCC(=O)[O-])[NH3+] InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m0/s1 CXISPYVYMQWFLE-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00443 C13H16N2O4 2.603 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 JFLIEFSWGNOPJJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00444 C7H8N4O2 2.605 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00445 C10H18N2O3 2.648 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 AUTOLBMXDDTRRT-JGVFFNPUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00446 C6H5NO3 2.649 C1=CC(=CC=C1[N+](=O)[O-])O InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H BTJIUGUIPKRLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0403_00447 C11H11NO3 2.653 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00448 C8H8O3 2.667 COC1=C(C=CC(=C1)C=O)O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00449 C10H12O4 2.671 COC1=C(C=C(C=C1)CC(=O)O)OC InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) WUAXWQRULBZETB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0403_00450 C7H8N4O2 2.701 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0403_00451 C7H8O3S 2.713 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0403_00452 C27H33N9O15P2 2.721 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 VWWQXMAJTJZDQX-UYBVJOGSSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +0403_00453 C8H15NO3 2.724 CC(C)C[C@@H](C(=O)O)NC(=O)C InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 WXNXCEHXYPACJF-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00454 C13H16O7 2.728 CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 JPAUCQAJHLSMQW-XPORZQOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00455 C10H11NO3 2.737 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00456 C9H10O2 2.743 CC(=O)OCC1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 QUKGYYKBILRGFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyloxycarbonyls (CHEMONTID:0001097) NA (NA) NA (NA) +0403_00457 C15H14O6 2.751 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 PFTAWBLQPZVEMU-DZGCQCFKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0403_00458 C10H11NO3 2.762 CC1=CC=CC=C1C(=O)NCC(=O)O InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) YOEBAVRJHRCKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0403_00459 C10H13N5O3 2.766 C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 XGYIMTFOTBMPFP-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) NA (NA) NA (NA) NA (NA) +0403_00460 C8H11NO 2.767 C1=CC=C(C=C1)C(CN)O InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0403_00461 C13H18O7 2.783 C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 NGFMICBWJRZIBI-UJPOAAIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0403_00462 C7H8O2 2.808 C1=CC(=CC(=C1)O)CO InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 OKVJCVWFVRATSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00463 C8H8O4 2.828 COC1=CC(=C(C=C1)O)C(=O)O InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) IZZIWIAOVZOBLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00464 C6H6O2 2.837 C1=CC=C(C(=C1)O)O InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00465 C7H8O4S 2.842 CC1=CC=C(C=C1)OS(=O)(=O)O InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) WGNAKZGUSRVWRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Arylsulfates (CHEMONTID:0004258) Phenylsulfates (CHEMONTID:0002626) NA (NA) +0403_00466 C11H15N5O4 2.879 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0403_00467 C8H9NO 2.893 C1CC2=C(C=CN2)C(=O)C1 InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2 KASJZXHXXNEULX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0403_00468 C8H7NO 2.904 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00469 C11H9NO3 2.905 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00470 C9H10O3 2.913 C1=CC=C(C(=C1)CCC(=O)O)O InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00471 C7H6O4 2.923 C1=CC(=C(C(=C1)O)C(=O)O)O InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) AKEUNCKRJATALU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00472 C12H14N2O2 2.937 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00473 C21H31N3O5 2.942 C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 RLAWWYSOJDYHDC-BZSNNMDCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0403_00474 C6H12O2 2.949 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00475 C8H15N7O2S3 2.966 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0403_00476 C11H13NO3 2.975 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00477 C13H14N2O3 2.981 CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) DZTHIGRZJZPRDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00478 C13H14N2O3 2.981 CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1 DZTHIGRZJZPRDV-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00479 C10H7NO2 3.03 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0403_00480 C26H42N7O17P3S 3.053 CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1 BXIPALATIYNHJN-TVCSPYKZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl thioesters (CHEMONTID:0003327) Acyl CoAs (CHEMONTID:0001090) NA (NA) +0403_00481 C13H21NO3 3.091 CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 NDAUXUAQIAJITI-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00482 C8H8O3 3.111 CC(=O)OC1=CC=CC(=C1)O InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3 ZZPKZRHERLGEKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0403_00483 C11H11NO2 3.119 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0403_00484 C18H16O8 3.133 C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 DOUMFZQKYFQNTF-WUTVXBCWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0403_00485 C8H8O3 3.141 CC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3 SULYEHHGGXARJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00486 C7H6O 3.155 C1=CC=C(C=C1)C=O InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H HUMNYLRZRPPJDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0403_00487 C7H8O 3.158 C1=CC=C(C=C1)CO InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 WVDDGKGOMKODPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0403_00488 C13H14N2O3 3.177 C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1 FBDCJLXTUCMFLF-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00489 C7H7NO2 3.178 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0403_00490 C8H8O3 3.205 CC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0403_00491 C15H14O6 3.207 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0403_00492 C14H22N2O3 3.217 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0403_00493 C6H6N4S 3.226 CSC1=NC=NC2=C1NC=N2 InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) UIJIQXGRFSPYQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0403_00494 C8H15NO3 3.235 CCCCCC(=O)NCC(=O)O InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) UPCKIPHSXMXJOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00495 C9H8O2 3.249 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0403_00496 C9H8O2 3.249 C1=CC=C(C=C1)/C=C\C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6- WBYWAXJHAXSJNI-SREVYHEPSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0403_00497 C11H13N3O 3.309 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1 JLSKPBDKNIXMBS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00498 C7H11NO2 3.346 CCC1(CC(=O)NC1=O)C InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) HAPOVYFOVVWLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0403_00499 C10H12N2 3.351 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00500 C11H13NO3 3.354 C1=CC=C(C=C1)CCC(=O)NCC(=O)O InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15) YEIQSAXUPKPPBN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00501 C11H15N5O3S 3.355 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0403_00502 C10H15NO 3.397 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0403_00503 C11H14N2O 3.399 COC1=CC2=C(C=C1)NC=C2CCN InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 JTEJPPKMYBDEMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00504 C8H8O3 3.401 CC1=C(C(=CC=C1)C(=O)O)O InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) WHSXTWFYRGOBGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0403_00505 C17H20N4O6 3.437 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0403_00506 C11H11NO3 3.441 C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ YAADMLWHGMUGQL-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00507 C13H21N3O 3.445 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0403_00508 C10H10N2O 3.465 C1=CC=C2C(=C1)C(=CN2)CC(=O)N InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ZOAMBXDOGPRZLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00509 C7H6O2 3.466 C1=CC(=CC(=C1)O)C=O InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H IAVREABSGIHHMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0403_00510 C15H10O8 3.468 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0403_00511 C10H16N6S 3.507 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0403_00512 C11H14N2 3.532 CNCCC1=CNC2=CC=CC=C21 InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 NCIKQJBVUNUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0403_00513 C21H24O10 3.554 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 IOUVKUPGCMBWBT-QNDFHXLGSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0403_00514 C8H9NO 3.622 C1=CC=C(C=C1)CNC=O InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) IIBOGKHTXBPGEI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0403_00515 C12H13NO2 3.664 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) JTEDVYBZBROSJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00516 C14H18N2O5 3.694 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0403_00517 C36H38N4O8 3.696 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) XNBNKCLBGTWWSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0403_00518 C16H19N3O4S 3.7 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0403_00519 C12H21N5O2S2 3.728 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CSC(=N1)CN(C)C InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+ SGXXNSQHWDMGGP-IZZDOVSWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0403_00520 C7H8O2 3.735 CC1=CC(=C(C=C1)O)O InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00521 C8H7NO 3.748 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0403_00522 C10H12O2 3.816 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0403_00523 C11H17NO3 3.882 CC(C(C1=C(C=CC(=C1)OC)OC)O)N InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3 WJAJPNHVVFWKKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0403_00524 C7H8O2 3.883 CC1=C(C(=CC=C1)O)O InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0403_00525 C10H12O2 3.884 C1=CC=C(C=C1)CCCC(=O)O InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0403_00526 C10H20O3 3.959 C(CCCCC(=O)O)CCCCO InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13) YJCJVMMDTBEITC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00527 C15H23N3O4S 3.988 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0403_00528 C9H10O3 3.996 COC(=O)CC1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 XGDZEDRBLVIUMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0403_00529 C8H14O2S2 4.025 C1CSS[C@@H]1CCCCC(=O)O InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1 AGBQKNBQESQNJD-SSDOTTSWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoic acids and derivatives (CHEMONTID:0001116) NA (NA) NA (NA) +0403_00530 C9H7NO 4.039 C1=CC2=C(C(=C1)O)N=CC=C2 InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H MCJGNVYPOGVAJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) 8-hydroxyquinolines (CHEMONTID:0003953) NA (NA) NA (NA) +0403_00531 C9H7NO 4.039 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0403_00532 C13H16N2O2 4.045 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00533 C13H22N4O3S 4.122 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0403_00534 C8H10O3 4.143 COC1=CC(=CC(=C1)O)OC InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3 XQDNFAMOIPNVES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00535 C7H14O2 4.15 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00536 C14H12O3 4.157 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ LUKBXSAWLPMMSZ-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0403_00537 C9H10O4 4.197 COC1=C(C=CC(=C1)C(=O)OC)O InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 BVWTXUYLKBHMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0403_00538 C8H16O3 4.199 CCCCCCC(C(=O)O)O InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) JKRDADVRIYVCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00539 C10H11NO 4.218 C1=CC=C2C(=C1)C(=CN2)CCO InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 MBBOMCVGYCRMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00540 C28H34O15 4.263 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3 ARGKVCXINMKCAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0403_00541 C10H9NO 4.292 C1=CC=C2C(=C1)C(=CN2)CC=O InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2 WHOOUMGHGSPMGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00542 C7H7NO3 4.31 CC1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 SYDNSSSQVSOXTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0403_00543 C11H8O3 4.327 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) SJJCQDRGABAVBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalenecarboxylic acids and derivatives (CHEMONTID:0001871) Naphthalenecarboxylic acids (CHEMONTID:0002421) NA (NA) +0403_00544 C8H16O2 4.333 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0403_00545 C10H8N2 4.439 C1=CC=C2C(=C1)C(=CN2)CC#N InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 DMCPFOBLJMLSNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0403_00546 C12H18N2O3S 4.442 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) JLRGJRBPOGGCBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0403_00547 C9H9NO 4.444 CC1C2=CC=CC=C2NC1=O InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11) BBZCPUCZKLTAJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolines (CHEMONTID:0001146) NA (NA) NA (NA) +0403_00548 C11H14O2 4.448 C1=CC=C(C=C1)CCCCC(=O)O InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00549 C16H29N3O6S 4.462 CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 HXJDWCWJDCOHDG-RYUDHWBXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0403_00550 C9H11NO2 4.514 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0403_00551 C18H28N2O4 4.607 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0403_00552 C24H29N5O3 4.612 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00553 C8H15NOS2 4.651 C1CSSC1CCCCC(=O)N InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10) FCCDDURTIIUXBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dithiolanes (CHEMONTID:0000484) Lipoamides (CHEMONTID:0001154) NA (NA) NA (NA) +0403_00554 C16H14O3 4.653 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0403_00555 C18H24O3 4.664 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0403_00556 C8H16O2 4.685 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2 WWZKQHOCKIZLMA-PMELWRBQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00557 C10H19NO3 4.737 CCCCCCCC(=O)NCC(=O)O InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14) SAVLIIGUQOSOEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00558 C8H7N 4.768 C1=CC=C2C(=C1)C=CN2 InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H SIKJAQJRHWYJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0403_00559 C10H13N5 4.773 CC(=CCNC1=NC=NC2=C1NC=N2)C InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) HYVABZIGRDEKCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0403_00560 C9H10N2 4.791 CC1=CC2=C(C=C1C)N=CN2 InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) LJUQGASMPRMWIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0403_00561 C8H16O2 4.796 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00562 C13H16N2O2 4.854 CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/t11-/m0/s1 DABYEOZXRSTEGL-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0403_00563 C12H24O3 4.874 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0403_00564 C11H11NO2 4.883 COC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 KTHADMDGDNYQRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00565 C21H28O5 4.903 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00566 C16H12O4 4.905 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0403_00567 C15H29NO4 4.953 CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1 CXTATJFJDMJMIY-CYBMUJFWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0403_00568 C24H40O5 4.999 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1 BHQCQFFYRZLCQQ-UTLSPDKDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0403_00569 C21H30O5 5.074 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1 JYGXADMDTFJGBT-CZFMHFDVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00570 C16H13NO3S 5.164 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) FWEOQOXTVHGIFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 1-naphthalene sulfonates (CHEMONTID:0003600) +0403_00571 C10H12O3 5.222 CCCOC(=O)C1=CC=C(C=C1)O InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 QELSKZZBTMNZEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0403_00572 C12H13NO2 5.236 CCOC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3 HUDBDWIQSIGUDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0403_00573 C16H28N2O4 5.247 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0403_00574 C26H45NO6S 5.286 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 BHTRKEVKTKCXOH-LBSADWJPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0403_00575 C21H30O4 5.295 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 OMFXVFTZEKFJBZ-HJTSIMOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00576 C10H14O 5.296 CC1=CC[C@@H](CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 ULDHMXUKGWMISQ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0403_00577 C13H18O2 5.297 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0403_00578 C23H32O6 5.307 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 ALEXXDVDDISNDU-JZYPGELDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0403_00579 C25H28N6O 5.309 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0403_00580 C21H30O4 5.317 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0403_00581 C10H20O2 5.349 CCCCC(CC)CCC(=O)O InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) PWKJMPFEQOHBAC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00582 C10H12O2 5.355 C/C=C/C1=CC(=C(C=C1)O)OC InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+ BJIOGJUNALELMI-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0403_00583 C10H20O2 5.389 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2 GHVNFZFCNZKVNT-KIJKOTCYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0403_00584 C10H20O2 5.395 CCCCCCCCCC(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) GHVNFZFCNZKVNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) diff --git a/processed_data/0403/0403_validation_qspr_outliers.tsv b/processed_data/0403/0403_validation_qspr_outliers.tsv new file mode 100644 index 000000000..a4c4708a9 --- /dev/null +++ b/processed_data/0403/0403_validation_qspr_outliers.tsv @@ -0,0 +1,11 @@ +id error +0403_00391 1.288440930767341 +0403_00398 1.3395040731239947 +0403_00404 1.4089524157418265 +0403_00408 1.9733309374313235 +0403_00416 1.340687945093539 +0403_00422 1.2958204700373357 +0403_00442 1.5313901920162205 +0403_00456 1.4925648709019579 +0403_00549 1.91973847714616 +0403_00559 1.5507060998148088 diff --git a/processed_data/0404/0404_descriptors_canonical_success.tsv b/processed_data/0404/0404_descriptors_canonical_success.tsv new file mode 100644 index 000000000..83efad3a9 --- /dev/null +++ b/processed_data/0404/0404_descriptors_canonical_success.tsv @@ -0,0 +1,98 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0404_00001 11.993427016118318 15.994917662116407 -0.386267912348134 0.09465245242899901 5.404895115710827 9.108952005944602 0.4 0.7700000000000001 165.23257840987225 0 3 2.34 6 8 12 1 27 0 0 0.7681000000000009 0.5899776100000014 53.8253 0 1 1 1 1 0 0 0 1 0 0 0 0.1953785473108167 54 202 15 23.353011038843853 1.9460842532369877 5.194760984546387 2.5119332884587564 2.6828276960876303 4.584962500721156 32.26 0.75 0.42857142857142855 0.33333333333333337 1.9144534938893847 2.6207413942088964 0 6.083643418932058 5.885267084809706 0 2.381101577952299 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 5 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10.083333333333334 4.888888888888889 2.7777777777777777 0.4 597.02 0.5 127 8.974691494688164 5.753218857624056 4.642739027408409 3.934918959834057 2.496350855831647 1.671807069193636 0.7491334135702086 0.44638398341558755 7.48866547982734 4.156916363982706 2.9328711817528177 2.070042378653168 1.0967603936704848 0.6333322605813918 0.2545434400220296 0.12557738031385268 1.7067796363998444 2.143435034029343 2.4814651467361535 0.7321051096652297 0.7635504290550611 0.7358761036168574 0.5948190167920578 0 0.23230780835289197 0 0.33742731078159727 0 0.06211299937499416 0 0 0 0 0.10206207261596577 0.05892556509887897 0 0 0 0.032075014954979206 0.018518518518518517 0 0 0 5 1 1 2 0 0 645.7066103277591 701.0043572376713 861.8044833859867 789.2283935479741 541.1365361433109 13.134449336817427 12.664455843493457 15.99654782062602 16.715919461644752 12.328639797758584 0.1534672741783816 -0.06307018818411028 -0.05496919269069779 0.06330703398812552 -0.0216717992647412 2 2 17.058104999999994 29.503894999999996 +0404_00002 11.993427016118318 15.994917662116407 -0.386267912348134 0.09465245242899901 5.404895115710827 9.108952005944602 0.4 0.7700000000000001 165.23257840987225 0 3 2.34 6 8 12 1 27 0 0 0.7681000000000009 0.5899776100000014 53.8253 0 1 1 1 1 0 0 0 1 0 0 0 0.1953785473108167 54 202 15 23.353011038843853 1.9460842532369877 5.194760984546387 2.5119332884587564 2.6828276960876303 4.584962500721156 32.26 0.75 0.42857142857142855 0.33333333333333337 1.9144534938893847 2.6207413942088964 0 6.083643418932058 5.885267084809706 0 2.381101577952299 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 5 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10.083333333333334 4.888888888888889 2.7777777777777777 0.4 597.02 0.5 127 8.974691494688164 5.753218857624056 4.642739027408409 3.934918959834057 2.496350855831647 1.671807069193636 0.7491334135702086 0.44638398341558755 7.48866547982734 4.156916363982706 2.9328711817528177 2.070042378653168 1.0967603936704848 0.6333322605813918 0.2545434400220296 0.12557738031385268 1.7067796363998444 2.143435034029343 2.4814651467361535 0.7321051096652297 0.7635504290550611 0.7358761036168574 0.5948190167920578 0 0.23230780835289197 0 0.33742731078159727 0 0.06211299937499416 0 0 0 0 0.10206207261596577 0.05892556509887897 0 0 0 0.032075014954979206 0.018518518518518517 0 0 0 5 1 1 2 0 0 645.7066103277591 701.0043572376713 861.8044833859867 789.2283935479741 541.1365361433109 13.134449336817427 12.664455843493457 15.99654782062602 16.715919461644752 12.328639797758584 0.1534672741783816 -0.06307018818411028 -0.05496919269069779 0.06330703398812552 -0.0216717992647412 2 2 17.058104999999994 29.503894999999996 +0404_00003 11.900000000000006 14.006086201544193 -0.1449495216656547 0.13095849343873095 5.608930916127762 8.12851723995469 0.8333333333333334 -0.05400000000000005 138.1706357471299 0 0 1.6800000000000002 5 6 11 0 20 0 0 1.645 2.706025 41.345 2 2 1 1 1 0 0 1 0 1 0 0 0.2919823337015922 50 107 13 20.61781010816007 2.061781010816007 12.58919085072345 0 12.58919085072345 4.459431618637298 40.32 0.6666666666666666 0.4 0 0 0 0 5.841906810678656 2.4417967096529347 0 0 0 0 0 0 0 0 0 0 2.381101577952299 1.8898815748423097 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6.694214876033058 2.938775510204082 1.382716049382716 0.8333333333333334 351.04 1 82 6.811554787871632 4.966326495188786 4.089073411524036 3.466326495188785 2.8635419262467416 1.899829914261059 1.3758217434742825 0.7041241452319315 5.824388287932569 3.71699475211007 2.62891541299235 1.8763671995643292 1.297449440413838 0.8341948613770798 0.5605200853774199 0.19016716248285004 0.9428090415820635 1.4999999999999996 1.4142135623730945 0.3264911064067351 0.4311489267483373 0.4064911064067352 0.3333333333333333 0 0.08333333333333333 0 0.1414213562373095 0 0.022360679774997897 0 0 0 0.11785113019775793 0.16666666666666666 0.1767766952966369 0 0 0.02 0.0282842712474619 0.03 0 0 1 0 0 1 4 0 0 500.3839003945314 560.1873223437503 709.6317639375004 656.3366618750003 253.8383793437501 11.439921205105923 12.57848670337078 16.077032502912115 14.329455465443566 6.99709159908267 0.06905287170307933 -0.021835599713987672 0.0045047828360981375 -0.013130539090652088 -0.004009886944495703 0 4 12.91207 21.627930000000003 +0404_00004 11.993427016118321 15.99491766211641 -0.34690178604864574 0.17915678050355277 5.17989703762653 9.034695900931846 0.3 1.056 163.21669690222066 0 3 2.34 8 8 12 1 25 0 0 1.0149999999999988 1.0302249999999975 53.2088 0 1 1 1 1 0 0 0 1 0 0 0 0.17841846108339232 54 202 15 23.353011038843853 1.9460842532369877 5.194760984546387 2.5119332884587564 2.6828276960876303 4.584962500721156 29.1 0.75 0.42857142857142855 0.33333333333333337 1.9144534938893847 2.6207413942088964 0 6.083643418932058 5.885267084809706 0 2.381101577952299 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 5 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10.083333333333334 4.888888888888889 2.7777777777777777 0.3 493.02 0.5 127 8.974691494688164 5.753218857624056 4.642739027408409 3.934918959834057 2.496350855831647 1.671807069193636 0.7491334135702086 0.4463839834155876 7.372349905601619 4.019508286134143 2.7406391449774143 1.8846026133480298 0.9835136279091709 0.5705158115376454 0.2182763462570863 0.1075033887507382 1.7067796363998444 2.1434350340293435 2.4814651467361535 0.6102199036066792 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50.633486999999995 82.68651299999999 diff --git a/processed_data/0404/0404_descriptors_isomeric_success.tsv b/processed_data/0404/0404_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..c3961e550 --- /dev/null +++ b/processed_data/0404/0404_descriptors_isomeric_success.tsv @@ -0,0 +1,98 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0404_00001 11.993427016118318 15.994917662116407 -0.386267912348134 0.09465245242899901 5.404895115710827 9.108952005944602 0.4 0.7700000000000001 165.23257840987225 0 3 2.34 6 8 12 1 27 0 0 0.7681000000000009 0.5899776100000014 53.8253 0 1 1 1 1 0 0 0 1 0 0 0 0.1953785473108167 54 202 15 23.353011038843853 1.9460842532369877 5.194760984546387 2.5119332884587564 2.6828276960876303 4.584962500721156 32.26 0.75 0.42857142857142855 0.33333333333333337 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15,62,96,134,145,148,153,175,190,233,270,333,356,421,450,451,487,524,550,586,588,612,662,838,861,888,889,968,972,994,1009,1012 +0404_00014 1,2,4,11,15,26,42,89,97,118,134,175,182,183,201,222,223,244,286,318,330,347,353,407,425,444,449,461,496,512,524,534,536,540,549,550,561,596,597,626,628,658,663,666,686,705,709,734,760,778,783,815,838,848,854,856,883,936,945,948,956,968,989,1014,1016 +0404_00015 5,62,96,134,145,153,189,207,230,270,279,363,421,487,516,550,558,588,594,802,806,892,948,968,989,994,998 +0404_00016 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0404_00017 15,18,32,57,73,89,94,96,134,145,233,260,298,308,380,383,421,461,484,487,550,556,559,581,592,655,662,682,707,782,783,873,912,914,948,968 +0404_00018 1,15,35,40,89,134,144,153,159,169,170,187,194,206,207,224,227,245,251,292,326,331,346,347,370,390,408,412,423,427,442,446,467,487,498,516,540,550,559,564,624,626,649,705,708,714,779,781,800,813,836,859,936,948,968,977 +0404_00019 1,4,11,15,23,26,37,42,89,134,169,175,182,186,201,222,224,245,249,260,283,286,302,318,347,353,365,391,392,398,414,435,461,496,508,512,524,534,540,549,550,586,590,626,656,666,686,705,709,729,746,778,823,825,855,866,896,919,930,941,948,953,954,968,989,1016,1020,1021,1022 +0404_00020 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0404_00021 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0404_00022 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0404_00023 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0404_00024 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0404_00025 20,31,79,115,134,203,207,220,313,343,344,483,508,516,522,542,550,553,635,686,727,802,819,881,897,931,948,968,994,998 +0404_00026 87,96,134,141,150,153,182,207,220,367,414,421,481,487,514,531,550,696,719,748,802,888,917,945,948,968,985,989 +0404_00027 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0404_00028 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0404_00029 4,36,96,128,134,153,181,189,207,238,347,363,408,426,487,499,516,549,550,696,703,705,719,778,798,800,802,806,863,945,948,968,989,994,998 +0404_00030 15,26,32,79,83,86,89,96,103,110,134,174,175,179,191,201,222,223,245,252,254,260,270,274,306,308,332,333,353,360,398,403,425,430,434,439,440,461,473,487,508,524,526,540,544,546,550,561,581,582,607,611,612,617,620,639,650,677,689,701,716,739,758,773,782,810,838,867,873,893,921,939,964,968,972,1006,1017 +0404_00031 20,31,58,115,134,153,194,207,220,251,289,343,344,483,508,516,522,542,550,553,623,635,686,727,735,757,802,819,897,931,948,968,994,1019 +0404_00032 5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0404_00033 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0404_00034 20,51,64,82,134,153,189,207,231,311,361,363,392,396,516,663,698,757,762,802,850,948,994,998,1008 +0404_00035 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0404_00036 15,26,57,68,89,109,130,134,144,153,175,196,209,220,222,237,260,269,336,347,416,421,423,473,487,505,515,520,540,542,549,550,587,626,653,654,670,687,725,747,772,778,781,834,847,855,889,905,921,929,948,968,1010 +0404_00037 14,20,23,26,28,47,81,94,117,122,127,134,149,153,177,207,216,226,227,246,253,260,265,270,278,279,281,302,305,347,350,353,363,390,467,469,471,505,508,511,515,516,522,527,549,550,551,558,582,586,626,636,640,647,666,669,715,727,778,787,802,811,812,850,925,948,968,973,980,989,1008,1019 +0404_00038 15,35,40,44,58,134,144,153,169,170,190,194,199,204,206,207,216,224,227,237,245,251,272,292,346,347,390,408,412,442,487,508,516,550,582,584,585,624,626,649,654,683,697,705,708,714,779,781,800,813,890,937,948,968,977,1012,1022 +0404_00039 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0404_00040 4,20,134,153,163,201,226,274,347,353,389,401,451,486,508,515,545,549,550,571,626,635,640,644,666,670,705,707,727,745,773,778,800,852,858,897,948,968,983,994 +0404_00041 15,37,73,89,94,96,134,145,175,260,274,284,296,298,303,308,380,383,413,421,461,487,497,524,550,592,625,638,652,666,686,782,783,878,915,948,968,1023 +0404_00042 12,20,43,45,51,53,134,141,153,178,181,206,207,227,235,251,260,263,265,270,278,281,292,300,347,390,392,418,508,516,530,549,550,626,640,649,667,727,728,779,786,790,800,802,806,812,820,943,948,968,985,1019 +0404_00043 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0404_00044 20,35,63,70,110,115,122,134,144,153,170,207,227,251,260,347,390,452,459,508,515,516,520,532,543,560,581,594,599,626,640,647,670,714,727,787,822,825,901,905,948,950,968,977 +0404_00045 15,21,89,153,160,189,207,210,237,256,344,363,465,473,516,538,572,655,716,772,788,802,816,832,948,994,998 +0404_00046 31,51,53,58,96,130,134,153,174,181,206,207,227,235,257,265,292,346,347,390,392,408,433,487,507,516,550,586,626,649,705,739,763,779,790,800,802,803,813,850,854,946,948,963,968,1019 +0404_00047 20,96,134,141,145,207,298,335,410,421,461,481,483,487,508,550,580,727,802,866,897,898,931,948,962,968 +0404_00048 15,20,62,89,95,96,114,118,120,134,145,151,212,266,272,298,300,310,344,347,351,352,394,401,421,445,449,482,487,508,524,530,549,550,596,614,641,644,686,688,727,748,762,772,788,833,844,848,897,898,948,964,968,979,1004 +0404_00049 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0404_00050 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0404_00051 45,51,53,134,153,181,185,206,207,227,233,235,259,260,265,270,278,281,292,347,349,352,385,390,392,427,430,432,502,516,550,573,583,626,649,691,725,728,761,776,779,790,800,802,812,820,867,915,943,948,957,968,1019 +0404_00052 62,67,78,96,104,134,145,149,153,207,230,245,246,262,266,268,270,279,311,316,317,319,360,363,377,398,404,405,412,421,422,426,451,457,461,487,488,496,508,516,524,545,550,554,558,585,588,603,629,650,686,738,802,803,892,944,948,968,969,984,989,1019 +0404_00053 11,28,62,96,134,145,149,153,192,207,230,246,262,270,279,323,360,363,400,420,421,487,516,550,558,588,610,650,685,802,835,892,909,948,953,968,989,1019 +0404_00054 6,15,20,28,62,66,107,132,134,153,160,163,175,185,207,231,237,268,278,290,368,422,445,461,470,476,483,508,515,524,550,553,574,590,615,635,642,655,727,738,897,910,917,948,954,968,973,994,1012 +0404_00055 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0404_00056 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0404_00057 15,20,23,58,73,89,96,134,145,153,182,229,241,244,272,308,311,312,321,380,421,445,475,487,496,510,516,550,592,733,738,772,814,948,961,964,968,969,994,997 +0404_00058 10,19,20,30,94,134,144,153,211,220,234,260,270,278,281,296,305,316,347,366,392,397,431,489,500,508,515,516,522,530,550,582,589,626,658,672,683,686,702,727,731,771,780,807,812,814,874,878,889,948,968,977,993 +0404_00059 1,4,11,15,20,26,29,43,44,89,96,132,134,153,175,214,222,260,267,271,294,321,345,390,419,430,471,473,499,515,524,539,540,548,550,573,596,626,640,663,666,676,698,757,762,783,792,818,850,855,883,902,914,947,948,968,1006,1010 +0404_00060 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0404_00061 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0404_00062 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0404_00063 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0404_00064 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0404_00065 20,44,51,53,65,73,134,153,164,181,192,206,207,220,227,235,265,292,330,346,347,360,367,390,392,415,440,476,508,515,516,520,605,626,649,658,703,705,727,744,762,775,779,790,800,802,813,886,916,948,959,968,1019 +0404_00066 15,20,25,49,63,67,80,96,117,134,137,153,155,206,207,229,240,259,292,341,347,390,408,481,487,511,532,550,577,580,616,619,626,657,682,705,725,739,752,764,771,779,780,781,800,813,897,910,928,935,947,968 +0404_00067 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0404_00068 51,53,58,78,96,126,130,134,153,181,206,207,225,227,235,265,292,346,347,390,392,408,487,516,532,550,626,641,649,696,705,719,774,779,783,790,800,802,803,813,850,904,924,945,946,948,968,1019 +0404_00069 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0404_00070 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0404_00071 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0404_00072 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 +0404_00073 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0404_00074 15,20,21,25,26,61,89,102,125,127,134,150,153,184,197,216,245,255,269,285,290,291,296,303,315,326,343,352,384,404,408,413,443,444,450,452,461,477,492,495,499,508,513,517,523,529,533,566,574,626,629,727,741,748,768,772,782,793,799,813,819,829,836,840,854,880,898,924,926,934,936,948,964,968,970,995,1005,1014,1022 +0404_00075 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0404_00076 62,96,114,119,134,138,144,145,153,155,158,207,230,270,289,296,334,335,399,421,461,479,485,487,512,550,552,558,588,654,670,717,802,806,839,915,918,929,948,968,989 +0404_00077 62,73,96,134,144,145,153,207,230,240,270,288,334,359,399,402,421,479,487,550,558,588,670,692,694,749,802,806,839,865,909,918,948,968,989,1009 +0404_00078 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0404_00079 4,22,64,76,80,96,109,124,134,148,153,181,206,207,221,227,243,247,257,272,292,328,340,346,347,360,376,390,407,408,424,430,467,487,503,506,516,519,542,547,549,550,597,626,641,649,654,662,683,692,702,705,708,714,728,738,741,762,763,778,779,781,786,796,797,800,813,832,912,943,948,968 +0404_00080 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0404_00081 15,16,20,21,25,26,37,89,102,122,134,148,150,153,182,189,197,205,209,220,245,255,269,272,285,290,303,315,326,343,347,364,372,384,405,408,409,421,443,444,448,450,452,461,477,492,499,500,508,513,516,517,519,523,534,544,566,574,626,662,727,746,762,768,772,782,813,819,836,840,880,886,916,924,934,936,948,964,965,968,989,995,1005,1014,1022 +0404_00082 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0404_00083 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0404_00084 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0404_00085 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0404_00086 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0404_00087 15,26,83,89,95,109,128,130,134,148,151,153,159,161,195,209,222,239,240,245,247,252,267,281,288,293,344,357,368,442,452,486,492,508,513,540,559,574,577,597,626,635,639,690,716,719,721,733,756,766,772,793,804,812,827,851,855,906,909,936,948,968,994,1009,1022 +0404_00088 62,96,114,134,144,145,153,207,230,243,247,270,334,335,399,421,479,487,512,550,555,558,588,620,670,674,760,802,806,839,918,948,968,989 +0404_00089 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0404_00090 14,15,26,35,68,78,89,90,134,149,158,161,189,192,193,209,210,216,219,222,229,236,240,245,260,267,288,293,307,368,427,438,448,471,488,492,499,508,522,533,540,577,601,626,679,716,725,742,750,758,772,821,828,855,873,902,909,922,948,984,1009,1014,1022 +0404_00091 15,26,32,83,89,95,128,134,148,151,153,195,222,238,239,245,247,252,281,288,344,357,368,423,442,452,475,484,486,492,495,508,513,559,563,574,597,626,635,642,690,716,718,721,730,733,756,766,772,793,804,812,851,855,906,916,936,948,968,994,1009,1022 +0404_00092 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 +0404_00093 15,20,35,96,131,134,144,145,153,175,182,207,214,227,237,242,298,310,351,381,421,423,461,478,487,508,524,534,550,565,606,658,678,727,784,802,809,829,837,873,894,899,914,948,954,958,968,971,973,980,994,998,1004,1006 +0404_00094 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0404_00095 15,20,54,67,73,89,94,96,134,145,153,167,175,196,207,222,239,254,260,291,298,303,308,347,380,383,419,421,428,430,461,487,488,497,508,512,524,544,545,550,592,601,602,615,638,643,647,672,702,713,727,782,783,790,818,863,878,887,948,958,968,990,994,1000,1023 +0404_00096 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0404_00097 1,11,15,23,26,29,42,44,48,71,89,134,141,144,152,153,160,175,185,207,222,224,226,231,234,245,269,283,291,296,322,335,340,347,353,367,373,374,375,391,398,405,423,430,451,461,512,521,524,526,534,540,545,549,550,580,590,592,626,640,642,654,668,672,673,729,730,757,765,772,774,808,819,870,911,948,968,976,977,992 diff --git a/processed_data/0404/0404_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0404/0404_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..156daade0 --- /dev/null +++ b/processed_data/0404/0404_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,98 @@ +id bits.on +0404_00001 53,96,134,145,167,207,208,224,390,421,442,487,516,550,601,626,628,647,694,725,802,891,920,948,956,968,994,998 +0404_00002 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0404_00003 15,106,110,134,175,181,237,285,345,386,389,405,493,524,593,612,652,697,783,788,816,860,920,954,983,986,1022 +0404_00004 20,79,96,115,134,145,203,207,298,313,410,421,483,487,508,516,550,553,727,802,881,897,898,931,948,968,990,994,998 +0404_00005 17,26,115,122,134,149,153,207,226,227,239,246,253,270,279,281,310,363,390,471,515,516,522,527,550,558,620,626,640,647,669,676,715,733,787,802,819,946,947,948,968,970,989,995,1019 +0404_00006 48,96,134,144,145,167,207,257,390,421,487,514,535,548,550,601,602,614,626,631,647,670,750,802,827,911,948,968 +0404_00007 15,20,28,79,115,132,134,185,207,278,290,313,422,445,460,461,470,483,508,515,516,550,553,574,634,635,642,655,727,802,881,897,910,948,968,973,994,998,1012 +0404_00008 63,73,89,96,134,145,168,245,264,341,380,421,458,461,487,506,508,514,521,534,550,592,662,671,675,683,707,815,836,900,935,936,968 +0404_00009 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0404_00010 4,15,35,40,110,134,144,153,169,170,194,201,206,207,224,227,245,251,277,292,335,346,347,390,408,412,417,442,487,506,508,516,550,584,624,626,636,639,649,662,705,708,709,714,766,779,781,786,797,800,813,818,832,948,968,977,998,1004,1022 +0404_00011 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0404_00012 45,62,96,126,134,144,145,153,221,270,333,421,436,481,487,550,588,590,870,893,898,948,968,977 +0404_00013 15,62,96,134,145,148,153,175,190,233,270,333,356,421,450,451,487,524,550,586,588,612,662,838,861,888,889,968,972,994,1009,1012 +0404_00014 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0404_00015 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0404_00016 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0404_00017 15,18,32,57,73,89,94,96,134,145,233,260,298,308,380,383,421,461,484,487,550,556,559,581,592,655,662,682,707,782,783,873,912,914,948,968 +0404_00018 1,15,35,39,40,69,89,134,144,153,163,169,170,180,186,187,194,206,207,224,227,251,292,326,331,346,347,370,390,394,408,412,413,432,442,487,498,516,540,550,564,573,624,626,649,705,708,714,779,781,800,813,898,908,936,948,968,977 +0404_00019 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0404_00020 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0404_00021 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0404_00022 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0404_00023 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0404_00024 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0404_00025 20,31,79,115,134,203,207,220,313,343,344,483,508,516,522,542,550,553,635,686,727,802,819,881,897,931,948,968,994,998 +0404_00026 87,96,134,141,150,153,182,207,220,367,414,421,481,487,514,531,550,696,719,748,802,888,917,945,948,968,985,989 +0404_00027 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0404_00028 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0404_00029 4,36,96,128,134,153,181,189,207,238,347,363,408,426,487,499,516,549,550,696,703,705,719,778,798,800,802,806,863,945,948,968,989,994,998 +0404_00030 3,15,22,26,41,52,89,96,99,110,134,146,159,174,175,222,223,245,254,260,274,302,332,357,359,360,377,382,421,425,430,433,439,450,461,469,473,477,487,491,508,524,530,540,544,550,557,561,581,587,601,612,638,650,662,677,679,701,727,733,739,758,782,810,838,849,861,893,932,964,968,983,984,990,1006 +0404_00031 20,31,58,115,134,153,194,207,220,251,289,343,344,483,508,516,522,542,550,553,623,635,686,727,735,757,802,819,897,931,948,968,994,1019 +0404_00032 5,15,27,35,54,79,122,134,144,153,170,175,190,194,206,207,227,251,292,298,310,344,347,381,390,405,461,516,524,530,555,582,592,626,686,708,709,714,753,773,779,789,800,810,811,812,814,837,931,933,934,948,973,977 +0404_00033 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0404_00034 20,51,64,82,134,153,189,207,231,311,361,363,392,396,516,663,698,757,762,802,850,948,994,998,1008 +0404_00035 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0404_00036 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0404_00037 6,20,23,26,28,94,117,134,153,173,177,207,216,226,227,260,265,270,277,278,281,285,289,302,335,347,350,353,390,433,467,469,491,505,506,508,511,515,516,549,550,551,558,567,582,586,594,626,635,636,640,647,666,720,727,770,778,802,811,812,850,925,937,944,948,955,968,973,980,989,1008,1019 +0404_00038 15,35,40,44,58,134,144,153,169,170,190,194,199,204,206,207,216,224,227,237,245,251,272,292,346,347,390,408,412,442,487,508,516,550,582,584,585,624,626,649,654,683,697,705,708,714,779,781,800,813,890,937,948,968,977,1012,1022 +0404_00039 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0404_00040 4,20,134,153,163,201,226,274,347,353,389,401,451,486,508,515,545,549,550,571,626,635,640,644,666,670,705,707,727,745,773,778,800,852,858,897,948,968,983,994 +0404_00041 15,27,37,73,89,96,134,145,164,175,198,253,260,295,298,370,380,382,421,461,487,524,531,550,592,613,666,669,686,688,707,718,762,782,948,968,974,1023 +0404_00042 12,20,43,45,51,53,134,141,153,178,181,206,207,227,235,251,260,263,265,270,278,281,292,300,347,390,392,418,508,516,530,549,550,626,640,649,667,727,728,779,786,790,800,802,806,812,820,943,948,968,985,1019 +0404_00043 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0404_00044 20,35,63,70,110,115,122,134,144,153,170,207,227,251,260,347,390,452,459,508,515,516,520,532,543,560,581,594,599,626,640,647,670,714,727,787,822,825,901,905,948,950,968,977 +0404_00045 15,21,89,153,160,189,207,210,237,256,344,363,465,473,516,538,572,655,716,772,788,802,816,832,948,994,998 +0404_00046 31,51,53,58,96,130,134,153,174,181,206,207,227,235,257,265,292,346,347,390,392,408,433,487,507,516,550,586,626,649,705,739,763,779,790,800,802,803,813,850,854,946,948,963,968,1019 +0404_00047 20,96,134,141,145,207,211,298,410,421,481,483,487,506,508,550,617,727,802,897,898,931,948,964,968,1020 +0404_00048 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0404_00049 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0404_00050 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0404_00051 45,51,53,134,153,181,185,206,207,227,233,235,259,260,265,270,278,281,292,347,349,352,385,390,392,427,430,432,502,516,550,573,583,626,649,691,725,728,761,776,779,790,800,802,812,820,867,915,943,948,957,968,1019 +0404_00052 62,67,78,96,104,134,145,149,153,207,230,245,246,262,266,268,270,279,311,316,317,319,360,363,377,398,404,405,412,421,422,426,451,457,461,487,488,496,508,516,524,545,550,554,558,585,588,603,629,650,686,738,802,803,892,944,948,968,969,984,989,1019 +0404_00053 11,28,62,96,134,145,149,153,192,207,230,246,262,270,279,323,360,363,400,420,421,487,516,550,558,588,610,650,685,802,835,892,909,948,953,968,989,1019 +0404_00054 6,15,20,28,62,66,107,132,134,153,160,163,175,185,207,231,237,268,278,290,368,422,445,461,470,476,483,508,515,524,550,553,574,590,615,635,642,655,727,738,897,910,917,948,954,968,973,994,1012 +0404_00055 20,32,47,62,68,86,95,96,97,122,127,134,135,145,153,172,178,181,204,207,226,227,231,253,270,284,305,341,350,353,363,390,419,421,432,481,487,508,509,515,516,522,527,549,550,588,626,636,640,643,647,685,727,786,787,802,846,851,935,948,968,1019 +0404_00056 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0404_00057 15,20,23,58,73,89,96,134,145,153,182,229,241,244,272,308,311,312,321,380,421,445,475,487,496,510,516,550,592,733,738,772,814,948,961,964,968,969,994,997 +0404_00058 10,19,20,30,94,134,144,153,211,220,234,260,270,278,281,296,305,316,347,366,392,397,431,489,500,508,515,516,522,530,550,582,589,626,658,672,683,686,702,727,731,771,780,807,812,814,874,878,889,948,968,977,993 +0404_00059 1,11,15,20,26,29,44,89,96,132,134,153,175,199,222,260,263,268,271,285,294,330,364,387,419,430,473,478,499,515,524,540,550,569,626,640,663,666,676,698,743,755,757,762,770,783,787,792,805,818,850,886,897,914,947,948,964,968,992,1010,1013 +0404_00060 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0404_00061 15,20,25,26,36,61,85,89,129,134,139,148,153,164,222,245,255,290,294,305,315,325,326,350,358,408,413,452,476,477,499,508,513,517,523,527,566,574,592,614,626,640,681,684,727,730,766,772,784,790,801,819,822,835,843,852,855,862,898,925,926,927,934,936,948,968,1005,1009,1022 +0404_00062 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0404_00063 15,20,21,25,26,36,61,85,89,117,129,134,139,148,153,164,208,216,222,245,255,290,302,305,315,326,332,358,371,401,408,409,440,452,458,477,499,508,513,566,574,584,592,614,626,648,653,681,684,713,727,751,772,782,801,804,843,852,855,862,898,926,934,943,948,968,973,1005,1022 +0404_00064 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0404_00065 20,44,51,53,65,73,134,153,164,181,192,206,207,220,227,235,265,292,330,346,347,360,367,390,392,415,440,476,508,515,516,520,605,626,649,658,703,705,727,744,762,775,779,790,800,802,813,886,916,948,959,968,1019 +0404_00066 15,20,25,49,63,67,80,96,117,134,137,153,155,206,207,229,240,259,292,341,347,390,408,481,487,511,532,550,577,580,616,619,626,657,682,705,725,739,752,764,771,779,780,781,800,813,897,910,928,935,947,968 +0404_00067 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0404_00068 51,53,58,78,96,126,130,134,153,181,206,207,225,227,235,265,292,346,347,390,392,408,487,516,532,550,626,641,649,696,705,719,774,779,783,790,800,802,803,813,850,904,924,945,946,948,968,1019 +0404_00069 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0404_00070 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0404_00071 15,20,26,36,45,60,61,76,85,89,92,129,134,139,153,200,222,245,260,290,302,305,326,358,372,384,408,413,452,461,476,477,499,508,513,516,517,523,527,566,574,583,592,594,614,626,640,681,727,730,732,772,790,801,819,830,843,852,855,862,878,898,916,925,926,934,936,948,964,968,991,1009 +0404_00072 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 +0404_00073 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0404_00074 15,20,25,26,61,85,89,98,134,148,153,164,184,189,222,226,229,245,255,276,284,289,290,315,325,326,358,387,404,408,413,445,452,461,476,477,499,508,513,517,527,536,537,558,566,574,592,614,626,627,650,684,715,727,761,766,772,784,790,801,819,822,829,835,843,859,898,909,925,926,927,934,936,948,964,968,1005,1009,1022 +0404_00075 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0404_00076 62,96,114,119,134,138,144,145,153,155,158,207,230,270,289,296,334,335,399,421,461,479,485,487,512,550,552,558,588,654,670,717,802,806,839,915,918,929,948,968,989 +0404_00077 62,71,73,96,104,134,144,145,153,207,230,240,270,421,487,549,550,558,584,588,626,670,692,749,760,802,821,865,883,896,909,918,948,968,989,1009 +0404_00078 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0404_00079 4,22,64,76,80,96,109,124,134,148,153,181,206,207,221,227,243,247,257,272,292,328,340,346,347,360,376,390,407,408,424,430,467,487,503,506,516,519,542,547,549,550,597,626,641,649,654,662,683,692,702,705,708,714,728,738,741,762,763,778,779,781,786,796,797,800,813,832,912,943,948,968 +0404_00080 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0404_00081 15,20,23,25,26,85,89,98,134,143,148,153,164,170,182,220,226,245,255,278,290,303,315,325,347,358,372,381,405,408,409,413,421,452,461,476,477,499,508,513,517,527,534,544,552,555,566,569,574,592,614,626,649,661,662,684,690,715,718,727,746,762,766,772,779,781,784,801,819,822,835,839,843,886,909,925,927,934,936,948,964,968,989,1005,1009,1020,1022 +0404_00082 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0404_00083 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0404_00084 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0404_00085 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0404_00086 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0404_00087 15,26,34,38,85,89,134,148,153,160,195,196,197,204,222,239,240,245,247,252,254,267,303,340,344,357,368,380,388,403,430,442,452,454,508,513,559,574,596,626,634,635,690,721,756,766,772,794,801,804,822,851,855,876,906,909,913,945,948,954,968,985,994,999,1009,1022 +0404_00088 62,96,114,134,144,145,153,176,207,230,243,247,270,410,421,478,487,493,550,558,588,598,661,670,674,760,802,816,867,918,948,968,989,1020 +0404_00089 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0404_00090 10,15,26,38,55,68,78,85,89,105,134,149,192,222,223,229,234,240,245,260,267,289,316,322,358,362,415,430,458,499,508,519,540,574,596,617,626,634,636,655,671,672,679,725,726,730,742,758,772,801,821,828,855,866,870,873,902,903,909,913,948,1009,1022 +0404_00091 15,26,34,38,55,64,65,85,89,134,140,148,153,195,204,222,239,245,247,252,254,303,340,344,357,368,388,442,451,452,454,508,513,552,555,559,574,626,634,635,690,721,756,766,772,794,801,804,822,851,855,869,906,948,964,968,983,985,994,999,1022 +0404_00092 15,20,26,41,45,54,62,79,89,91,94,134,151,153,209,240,267,270,271,282,283,338,350,353,382,412,441,449,456,461,495,499,507,508,515,573,601,612,626,640,668,704,715,727,746,759,767,772,778,784,786,797,817,826,830,844,941,948,963,968,977,993,994,1000,1009,1022 +0404_00093 14,15,20,35,96,124,131,134,140,144,145,153,175,207,209,214,227,237,298,310,351,380,381,421,445,461,478,487,508,524,534,550,565,606,636,638,678,727,784,802,829,837,848,873,885,899,914,948,954,958,968,980,994,998 +0404_00094 20,51,96,105,134,144,145,153,198,208,228,241,260,294,296,298,347,380,387,411,418,421,430,432,483,487,523,533,535,550,577,582,635,655,670,697,699,781,800,812,832,844,847,897,898,948,968,972,993,994 +0404_00095 15,20,54,67,73,89,94,96,134,145,153,167,175,196,207,222,239,254,260,291,298,303,308,347,380,383,419,421,428,430,461,487,488,497,508,512,524,544,545,550,592,601,602,615,638,643,647,672,702,713,727,782,783,790,818,863,878,887,948,958,968,990,994,1000,1023 +0404_00096 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0404_00097 1,11,15,26,42,44,58,82,89,113,116,132,134,139,141,144,152,153,160,175,176,185,186,196,209,218,222,226,231,269,291,334,340,347,352,353,366,373,374,394,398,405,430,436,439,461,476,488,511,512,524,526,530,534,540,545,546,549,550,555,560,592,595,626,640,642,644,650,668,672,673,685,765,772,774,789,798,819,847,948,951,968,977 diff --git a/processed_data/0404/0404_fingerprints_maccs_canonical_success.tsv b/processed_data/0404/0404_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..cf313bcf1 --- /dev/null +++ b/processed_data/0404/0404_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,98 @@ +id bits.on +0404_00001 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0404_00002 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0404_00003 19,38,52,65,70,77,79,80,83,94,96,100,105,111,118,120,121,122,124,128,129,130,137,142,144,147,148,153,156,158,161,162,165 +0404_00004 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0404_00005 53,54,82,89,95,100,104,111,113,115,116,125,127,129,131,132,139,140,143,145,146,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00006 74,85,86,93,95,122,139,141,148,149,152,156,157,158,160,161,162,163,164,165 +0404_00007 28,57,72,83,93,95,96,105,109,113,120,123,137,144,146,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0404_00008 37,43,57,62,72,77,78,83,89,92,95,96,97,106,110,117,119,120,121,127,131,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0404_00009 84,104,111,115,151,155,156,158,160,161,162,163,165 +0404_00010 54,66,72,74,82,90,91,92,95,97,98,100,104,105,109,110,111,112,113,116,117,121,126,127,128,131,132,135,137,138,139,141,142,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00011 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00012 66,74,84,104,111,112,115,149,151,155,156,158,160,161,162,163,165 +0404_00013 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0404_00014 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0404_00015 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0404_00016 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0404_00017 57,62,82,91,95,98,100,104,108,109,111,116,120,121,132,137,138,145,147,150,151,152,153,156,157,158,160,161,162,163,164,165 +0404_00018 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00019 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0404_00020 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00021 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00022 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0404_00023 65,80,85,86,92,97,98,100,110,114,116,117,121,122,137,138,142,148,149,153,154,155,156,158,160,161,162,163,164,165 +0404_00024 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0404_00025 93,95,141,149,151,152,154,156,158,160,161,162,163,164,165 +0404_00026 84,104,111,115,116,144,149,150,151,155,156,158,160,161,162,163,165 +0404_00027 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0404_00028 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0404_00029 93,104,108,111,113,115,116,126,127,141,143,144,149,150,151,152,155,156,157,158,160,161,162,163,164,165 +0404_00030 19,26,50,57,66,76,80,83,85,86,89,92,96,97,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0404_00031 82,95,100,114,116,141,149,151,152,153,154,155,156,158,160,161,162,163,164,165 +0404_00032 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00033 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00034 50,74,76,90,93,99,104,108,111,115,116,141,147,149,151,155,156,158,160,161 +0404_00035 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00036 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0404_00037 54,82,93,95,99,100,104,110,111,113,115,116,117,123,125,126,127,129,131,132,133,135,136,138,139,140,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166 +0404_00038 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,118,126,127,128,131,132,138,139,141,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00039 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0404_00040 72,85,86,92,93,100,110,113,114,116,117,122,126,127,138,139,141,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00041 57,62,75,85,86,93,95,98,100,108,109,111,115,116,120,121,122,132,137,138,145,147,148,149,150,152,153,156,157,158,160,161,162,163,164,165 +0404_00042 54,72,74,82,90,93,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00043 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00044 23,54,66,74,82,85,86,89,93,95,100,104,106,110,112,113,116,117,122,123,126,127,131,132,136,139,140,141,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00045 91,93,104,108,111,115,116,118,128,129,147,149,151,155,156,158,160,161,163,165 +0404_00046 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,131,132,138,139,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00047 84,95,151,152,154,156,158,160,161,162,163,164,165 +0404_00048 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0404_00049 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00050 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0404_00051 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00052 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,120,121,122,125,127,128,129,136,137,138,141,142,143,144,145,147,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0404_00053 41,80,82,100,104,108,111,115,116,128,129,142,147,151,153,155,156,158,160,161,162,163,165 +0404_00054 28,57,72,75,83,85,86,95,96,100,105,109,111,113,114,115,118,120,121,122,123,128,129,137,138,144,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00055 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00056 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0404_00057 62,82,90,91,96,100,105,114,128,133,145,147,150,151,153,155,156,158,160,161,162,163,165 +0404_00058 66,72,74,92,104,110,111,112,113,117,123,125,126,127,131,132,133,135,136,139,140,141,143,145,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00059 50,66,74,75,76,85,86,98,99,100,101,105,108,111,112,113,115,116,121,122,127,128,129,137,138,139,141,143,144,145,147,148,149,150,152,153,155,156,157,158,160,161,162,163,164,165 +0404_00060 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00061 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00062 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00063 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00064 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0404_00065 54,72,74,82,90,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00066 24,38,53,54,69,71,72,77,78,84,90,91,94,95,97,102,104,105,109,111,113,119,124,125,126,127,131,132,139,142,143,145,146,151,152,153,155,156,157,158,159,161,162,163,164,165 +0404_00067 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00068 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,128,131,132,138,139,143,144,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00069 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00070 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0404_00071 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00072 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0404_00073 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0404_00074 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00075 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0404_00076 57,83,85,86,93,95,96,100,111,115,116,122,129,132,137,148,149,152,153,155,156,158,160,161,162,163,164,165 +0404_00077 17,85,86,93,100,111,115,116,122,129,148,149,153,155,156,158,160,161,162,163,165 +0404_00078 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0404_00079 54,65,72,82,83,86,90,91,93,95,96,97,100,104,105,109,111,113,121,125,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00080 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0404_00081 26,50,57,66,72,76,78,83,89,91,92,95,96,97,99,101,104,105,108,109,110,112,115,116,117,119,120,121,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0404_00082 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0404_00083 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0404_00084 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0404_00085 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0404_00086 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0404_00087 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0404_00088 85,86,93,100,111,115,116,122,125,129,145,148,149,153,155,156,158,160,161,162,163,165 +0404_00089 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0404_00090 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0404_00091 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0404_00092 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0404_00093 57,66,75,83,85,86,92,95,96,98,100,108,109,110,111,112,115,117,118,120,121,122,125,129,132,137,138,142,145,147,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00094 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0404_00095 57,62,75,85,86,95,98,100,108,109,111,114,116,118,120,121,122,123,125,126,128,129,132,137,138,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00096 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0404_00097 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0404/0404_fingerprints_maccs_isomeric_success.tsv b/processed_data/0404/0404_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..cf313bcf1 --- /dev/null +++ b/processed_data/0404/0404_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,98 @@ +id bits.on +0404_00001 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0404_00002 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0404_00003 19,38,52,65,70,77,79,80,83,94,96,100,105,111,118,120,121,122,124,128,129,130,137,142,144,147,148,153,156,158,161,162,165 +0404_00004 93,95,149,151,152,154,156,158,160,161,162,163,164,165 +0404_00005 53,54,82,89,95,100,104,111,113,115,116,125,127,129,131,132,139,140,143,145,146,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00006 74,85,86,93,95,122,139,141,148,149,152,156,157,158,160,161,162,163,164,165 +0404_00007 28,57,72,83,93,95,96,105,109,113,120,123,137,144,146,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0404_00008 37,43,57,62,72,77,78,83,89,92,95,96,97,106,110,117,119,120,121,127,131,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0404_00009 84,104,111,115,151,155,156,158,160,161,162,163,165 +0404_00010 54,66,72,74,82,90,91,92,95,97,98,100,104,105,109,110,111,112,113,116,117,121,126,127,128,131,132,135,137,138,139,141,142,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00011 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00012 66,74,84,104,111,112,115,149,151,155,156,158,160,161,162,163,165 +0404_00013 75,79,82,85,86,91,98,100,104,111,118,120,121,122,129,137,138,142,145,147,148,151,153,155,158,161,162,163,165 +0404_00014 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0404_00015 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0404_00016 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0404_00017 57,62,82,91,95,98,100,104,108,109,111,116,120,121,132,137,138,145,147,150,151,152,153,156,157,158,160,161,162,163,164,165 +0404_00018 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00019 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0404_00020 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00021 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00022 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0404_00023 65,80,85,86,92,97,98,100,110,114,116,117,121,122,137,138,142,148,149,153,154,155,156,158,160,161,162,163,164,165 +0404_00024 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0404_00025 93,95,141,149,151,152,154,156,158,160,161,162,163,164,165 +0404_00026 84,104,111,115,116,144,149,150,151,155,156,158,160,161,162,163,165 +0404_00027 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0404_00028 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0404_00029 93,104,108,111,113,115,116,126,127,141,143,144,149,150,151,152,155,156,157,158,160,161,162,163,164,165 +0404_00030 19,26,50,57,66,76,80,83,85,86,89,92,96,97,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0404_00031 82,95,100,114,116,141,149,151,152,153,154,155,156,158,160,161,162,163,164,165 +0404_00032 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00033 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00034 50,74,76,90,93,99,104,108,111,115,116,141,147,149,151,155,156,158,160,161 +0404_00035 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00036 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0404_00037 54,82,93,95,99,100,104,110,111,113,115,116,117,123,125,126,127,129,131,132,133,135,136,138,139,140,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166 +0404_00038 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,118,126,127,128,131,132,138,139,141,143,144,145,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00039 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0404_00040 72,85,86,92,93,100,110,113,114,116,117,122,126,127,138,139,141,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00041 57,62,75,85,86,93,95,98,100,108,109,111,115,116,120,121,122,132,137,138,145,147,148,149,150,152,153,156,157,158,160,161,162,163,164,165 +0404_00042 54,72,74,82,90,93,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00043 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00044 23,54,66,74,82,85,86,89,93,95,100,104,106,110,112,113,116,117,122,123,126,127,131,132,136,139,140,141,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00045 91,93,104,108,111,115,116,118,128,129,147,149,151,155,156,158,160,161,163,165 +0404_00046 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,131,132,138,139,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00047 84,95,151,152,154,156,158,160,161,162,163,164,165 +0404_00048 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0404_00049 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00050 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0404_00051 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00052 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,120,121,122,125,127,128,129,136,137,138,141,142,143,144,145,147,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0404_00053 41,80,82,100,104,108,111,115,116,128,129,142,147,151,153,155,156,158,160,161,162,163,165 +0404_00054 28,57,72,75,83,85,86,95,96,100,105,109,111,113,114,115,118,120,121,122,123,128,129,137,138,144,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00055 53,54,82,84,89,90,92,95,97,100,104,110,111,113,115,116,117,125,127,128,129,131,132,139,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00056 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0404_00057 62,82,90,91,96,100,105,114,128,133,145,147,150,151,153,155,156,158,160,161,162,163,165 +0404_00058 66,72,74,92,104,110,111,112,113,117,123,125,126,127,131,132,133,135,136,139,140,141,143,145,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00059 50,66,74,75,76,85,86,98,99,100,101,105,108,111,112,113,115,116,121,122,127,128,129,137,138,139,141,143,144,145,147,148,149,150,152,153,155,156,157,158,160,161,162,163,164,165 +0404_00060 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00061 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00062 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00063 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00064 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0404_00065 54,72,74,82,90,95,97,100,104,108,109,113,116,123,126,127,131,132,138,139,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00066 24,38,53,54,69,71,72,77,78,84,90,91,94,95,97,102,104,105,109,111,113,119,124,125,126,127,131,132,139,142,143,145,146,151,152,153,155,156,157,158,159,161,162,163,164,165 +0404_00067 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00068 34,54,72,74,82,90,95,97,99,100,104,109,113,116,126,127,128,131,132,138,139,143,144,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00069 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00070 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0404_00071 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00072 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0404_00073 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0404_00074 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0404_00075 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0404_00076 57,83,85,86,93,95,96,100,111,115,116,122,129,132,137,148,149,152,153,155,156,158,160,161,162,163,164,165 +0404_00077 17,85,86,93,100,111,115,116,122,129,148,149,153,155,156,158,160,161,162,163,165 +0404_00078 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0404_00079 54,65,72,82,83,86,90,91,93,95,96,97,100,104,105,109,111,113,121,125,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0404_00080 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0404_00081 26,50,57,66,72,76,78,83,89,91,92,95,96,97,99,101,104,105,108,109,110,112,115,116,117,119,120,121,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0404_00082 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0404_00083 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0404_00084 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0404_00085 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0404_00086 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0404_00087 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0404_00088 85,86,93,100,111,115,116,122,125,129,145,148,149,153,155,156,158,160,161,162,163,165 +0404_00089 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0404_00090 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0404_00091 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0404_00092 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0404_00093 57,66,75,83,85,86,92,95,96,98,100,108,109,110,111,112,115,117,118,120,121,122,125,129,132,137,138,142,145,147,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00094 50,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,141,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0404_00095 57,62,75,85,86,95,98,100,108,109,111,114,116,118,120,121,122,123,125,126,128,129,132,137,138,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0404_00096 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0404_00097 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0404/0404_fingerprints_pubchem_canonical_success.tsv b/processed_data/0404/0404_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..d5db0bbb0 --- /dev/null +++ b/processed_data/0404/0404_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,98 @@ +id bits.on +0404_00001 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00002 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00003 10,11,15,16,17,144,146,147,214,219,220,256,257,284,285,286,301,333,345,346,352,359,360,366,376,380,390,391,397,419,423,439,443,451,454,487,488,497,505,516,518,520,522,539,540,541,561,583,593,597,614,655,657,680,684 +0404_00004 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0404_00005 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0404_00006 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00007 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,529,536,537,541,542,543,545,549,553,554,557,564,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,611,614,619,620,624,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0404_00008 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0404_00009 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00010 10,11,12,13,15,16,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,557,565,566,567,568,571,572,574,575,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,692,693,694,696,697,699,703,704,705,706,708,709,710,711,743,757,759,806,820,822 +0404_00011 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0404_00012 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0404_00013 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0404_00014 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0404_00015 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00016 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0404_00017 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,644,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00018 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0404_00019 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0404_00020 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0404_00021 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0404_00022 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0404_00023 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0404_00024 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0404_00025 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,777 +0404_00026 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711,713,756,819 +0404_00027 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0404_00028 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0404_00029 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,709,710,711,757,820 +0404_00030 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,188,189,193,200,214,220,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,574,579,580,582,583,585,586,593,594,595,596,600,601,604,608,609,614,615,619,620,629,634,635,638,639,641,643,646,647,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0404_00031 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,777 +0404_00032 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0404_00033 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0404_00034 10,11,12,15,284,285,286,300,333,334,339,341,345,346,352,366,375,391,393,394,417,431,435,442,447,491,525,529,541,557,583,593,600,614,641,644,661,679 +0404_00035 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0404_00036 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0404_00037 10,11,12,13,14,15,16,17,19,20,21,22,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,441,442,444,447,449,450,452,453,465,471,477,491,496,499,503,517,521,525,529,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,572,574,575,579,583,585,586,588,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,689,690,691,697,699,702,709,710,711,715,738,764,778,801,827 +0404_00038 10,11,12,13,15,19,20,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,529,536,541,542,543,549,553,554,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,619,620,621,624,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,672,673,678,679,680,681,685,687,689,690,693,697,699,700,705,709,710,711,713,736,756,757,799,819,820 +0404_00039 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0404_00040 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,517,521,525,536,541,542,543,545,549,550,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,598,600,604,605,607,608,609,614,618,619,620,624,627,629,631,632,634,635,638,641,642,646,647,652,656,657,661,663,664,665,667,668,669,672,673,678,679,680,681,683,684,685,687,689,690,692,693,694,700,703,705,706,709,710,711,715,736,762,778,799,825 +0404_00041 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00042 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0404_00043 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0404_00044 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,521,525,529,541,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,618,619,620,623,627,635,638,640,641,642,644,647,652,654,656,657,660,661,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,701,702,703,709,710,711,736,741,799,804 +0404_00045 10,11,12,15,179,180,284,285,286,300,333,334,336,339,341,345,346,352,366,375,391,393,394,529,541,583,593,614,644,680,684,689,697,709,710,711 +0404_00046 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,356,366,367,371,372,375,382,383,385,391,393,394,406,407,417,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,631,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,690,762,825 +0404_00047 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0404_00048 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0404_00049 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0404_00050 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,333,334,335,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,615,619,635,638,641,642,656,657,661,665,669,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712,713 +0404_00051 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,691,699,701,702,709,710,711,715,778 +0404_00052 10,11,12,13,15,16,17,19,20,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,404,417,419,421,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,465,471,473,483,485,486,488,491,492,494,495,496,500,505,507,517,520,521,522,524,525,529,531,536,537,539,541,546,548,550,553,554,556,557,561,565,570,571,573,579,581,583,585,586,593,594,596,597,600,602,603,604,608,609,612,614,619,622,625,629,635,637,641,644,646,647,648,651,655,657,658,661,665,669,674,675,678,679,680,684,689,697,709,710,711 +0404_00053 10,11,12,15,16,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,471,491,517,521,525,529,541,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00054 10,11,12,13,15,19,20,144,146,147,150,151,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,545,549,553,554,557,564,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,611,614,619,620,624,627,631,635,638,641,642,652,656,657,661,662,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,698,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0404_00055 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,529,536,541,542,543,549,550,553,554,557,565,567,571,572,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,614,618,619,620,624,626,634,635,638,639,641,642,643,644,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,697,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0404_00056 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0404_00057 10,11,12,15,144,145,151,152,179,180,256,284,285,286,300,333,334,336,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,798,801,819,822,840,843,861,864 +0404_00058 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,565,566,568,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,606,607,608,609,614,615,618,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,705,709,710,711,715,735,738,778,798,801 +0404_00059 10,11,12,13,15,19,179,180,181,182,183,186,193,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,465,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0404_00060 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0404_00061 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0404_00062 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00063 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00064 10,11,12,15,144,146,147,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711 +0404_00065 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,623,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0404_00066 10,11,12,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,309,333,334,340,342,345,347,352,353,356,357,367,371,372,376,382,383,385,386,394,396,406,407,417,419,431,435,439,442,443,447,451,471,477,491,499,517,521,525,539,540,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,661,663,664,665,667,669,678,679,680,681,683,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0404_00067 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0404_00068 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,757,820 +0404_00069 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0404_00070 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0404_00071 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0404_00072 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0404_00073 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0404_00074 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0404_00075 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0404_00076 10,11,12,15,19,144,147,179,180,256,257,258,284,285,286,287,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,385,391,392,406,410,417,421,431,433,435,437,442,444,447,449,465,471,477,491,494,499,517,521,525,536,537,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,641,642,652,656,657,660,661,665,667,669,672,673,678,679,680,681,684,685,689,692,696,697,703,709,710,711 +0404_00077 10,11,12,15,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,418,428,429,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00078 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0404_00079 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,257,258,260,262,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,616,619,620,621,627,629,631,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,762,806,820,822,825 +0404_00080 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0404_00081 10,11,12,13,15,19,20,21,144,145,149,150,151,179,180,183,186,187,193,284,285,286,287,309,333,334,335,336,337,340,341,342,345,347,352,353,367,375,381,391,406,407,417,419,421,431,433,435,441,442,443,444,447,453,454,463,491,517,525,536,537,538,540,554,557,567,572,580,582,583,593,600,606,615,616,618,638,639,641,643,661,672,673,679,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,704,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,843,861,862,864,869 +0404_00082 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0404_00083 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0404_00084 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0404_00085 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0404_00086 10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0404_00087 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0404_00088 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00089 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0404_00090 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00091 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0404_00092 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0404_00093 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,335,336,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,593,596,598,600,604,608,609,614,615,616,619,635,641,646,647,657,660,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0404_00094 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0404_00095 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,567,571,574,575,579,580,583,585,593,595,596,598,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0404_00096 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0404_00097 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 diff --git a/processed_data/0404/0404_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0404/0404_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..d5db0bbb0 --- /dev/null +++ b/processed_data/0404/0404_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,98 @@ +id bits.on +0404_00001 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00002 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00003 10,11,15,16,17,144,146,147,214,219,220,256,257,284,285,286,301,333,345,346,352,359,360,366,376,380,390,391,397,419,423,439,443,451,454,487,488,497,505,516,518,520,522,539,540,541,561,583,593,597,614,655,657,680,684 +0404_00004 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0404_00005 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0404_00006 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00007 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,529,536,537,541,542,543,545,549,553,554,557,564,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,611,614,619,620,624,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0404_00008 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0404_00009 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00010 10,11,12,13,15,16,19,20,179,180,184,185,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,557,565,566,567,568,571,572,574,575,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,692,693,694,696,697,699,703,704,705,706,708,709,710,711,743,757,759,806,820,822 +0404_00011 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0404_00012 10,11,12,15,179,180,256,284,285,286,300,333,334,337,341,345,352,356,357,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,698,709,710,711 +0404_00013 10,11,12,15,16,179,180,181,182,186,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,392,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,570,571,579,583,585,593,596,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0404_00014 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0404_00015 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00016 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0404_00017 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,644,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00018 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0404_00019 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0404_00020 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0404_00021 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0404_00022 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0404_00023 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0404_00024 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0404_00025 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,777 +0404_00026 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711,713,756,819 +0404_00027 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0404_00028 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0404_00029 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,709,710,711,757,820 +0404_00030 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,188,189,193,200,214,220,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,574,579,580,582,583,585,586,593,594,595,596,600,601,604,608,609,614,615,619,620,629,634,635,638,639,641,643,646,647,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0404_00031 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,541,553,554,557,565,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,635,641,644,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,777 +0404_00032 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0404_00033 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0404_00034 10,11,12,15,284,285,286,300,333,334,339,341,345,346,352,366,375,391,393,394,417,431,435,442,447,491,525,529,541,557,583,593,600,614,641,644,661,679 +0404_00035 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0404_00036 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0404_00037 10,11,12,13,14,15,16,17,19,20,21,22,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,441,442,444,447,449,450,452,453,465,471,477,491,496,499,503,517,521,525,529,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,572,574,575,579,583,585,586,588,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,689,690,691,697,699,702,709,710,711,715,738,764,778,801,827 +0404_00038 10,11,12,13,15,19,20,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,529,536,541,542,543,549,553,554,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,619,620,621,624,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,672,673,678,679,680,681,685,687,689,690,693,697,699,700,705,709,710,711,713,736,756,757,799,819,820 +0404_00039 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0404_00040 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,517,521,525,536,541,542,543,545,549,550,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,598,600,604,605,607,608,609,614,618,619,620,624,627,629,631,632,634,635,638,641,642,646,647,652,656,657,661,663,664,665,667,668,669,672,673,678,679,680,681,683,684,685,687,689,690,692,693,694,700,703,705,706,709,710,711,715,736,762,778,799,825 +0404_00041 10,11,12,15,19,179,180,181,182,186,256,284,285,286,287,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0404_00042 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0404_00043 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0404_00044 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,521,525,529,541,542,543,549,553,557,565,566,567,571,572,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,618,619,620,623,627,635,638,640,641,642,644,647,652,654,656,657,660,661,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,701,702,703,709,710,711,736,741,799,804 +0404_00045 10,11,12,15,179,180,284,285,286,300,333,334,336,339,341,345,346,352,366,375,391,393,394,529,541,583,593,614,644,680,684,689,697,709,710,711 +0404_00046 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,356,366,367,371,372,375,382,383,385,391,393,394,406,407,417,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,631,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,690,762,825 +0404_00047 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,385,394,417,421,431,433,435,442,444,447,471,491,494,517,521,525,529,536,537,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,635,641,644,661,665,669,672,673,678,679,680,684,685,689,693,697,705,709,710,711 +0404_00048 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0404_00049 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0404_00050 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,333,334,335,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,615,619,635,638,641,642,656,657,661,665,669,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712,713 +0404_00051 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,691,699,701,702,709,710,711,715,778 +0404_00052 10,11,12,13,15,16,17,19,20,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,404,417,419,421,431,432,435,438,439,440,442,443,444,447,448,450,451,452,454,465,471,473,483,485,486,488,491,492,494,495,496,500,505,507,517,520,521,522,524,525,529,531,536,537,539,541,546,548,550,553,554,556,557,561,565,570,571,573,579,581,583,585,586,593,594,596,597,600,602,603,604,608,609,612,614,619,622,625,629,635,637,641,644,646,647,648,651,655,657,658,661,665,669,674,675,678,679,680,684,689,697,709,710,711 +0404_00053 10,11,12,15,16,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,420,430,431,435,442,447,471,491,517,521,525,529,541,553,557,565,569,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00054 10,11,12,13,15,19,20,144,146,147,150,151,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,545,549,553,554,557,564,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,611,614,619,620,624,627,631,635,638,641,642,652,656,657,661,662,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,698,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0404_00055 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,529,536,541,542,543,549,550,553,554,557,565,567,571,572,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,614,618,619,620,624,626,634,635,638,639,641,642,643,644,652,656,657,660,661,665,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,697,698,699,702,705,706,709,710,711,715,735,757,778,798,820 +0404_00056 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0404_00057 10,11,12,15,144,145,151,152,179,180,256,284,285,286,300,333,334,336,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,798,801,819,822,840,843,861,864 +0404_00058 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,565,566,568,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,606,607,608,609,614,615,618,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,663,664,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,705,709,710,711,715,735,738,778,798,801 +0404_00059 10,11,12,13,15,19,179,180,181,182,183,186,193,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,465,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0404_00060 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0404_00061 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0404_00062 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00063 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00064 10,11,12,15,144,146,147,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711 +0404_00065 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,623,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0404_00066 10,11,12,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,309,333,334,340,342,345,347,352,353,356,357,367,371,372,376,382,383,385,386,394,396,406,407,417,419,431,435,439,442,443,447,451,471,477,491,499,517,521,525,539,540,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,661,663,664,665,667,669,678,679,680,681,683,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0404_00067 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0404_00068 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,757,820 +0404_00069 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0404_00070 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0404_00071 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0404_00072 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0404_00073 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0404_00074 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0404_00075 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0404_00076 10,11,12,15,19,144,147,179,180,256,257,258,284,285,286,287,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,385,391,392,406,410,417,421,431,433,435,437,442,444,447,449,465,471,477,491,494,499,517,521,525,536,537,541,542,543,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,641,642,652,656,657,660,661,665,667,669,672,673,678,679,680,681,684,685,689,692,696,697,703,709,710,711 +0404_00077 10,11,12,15,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,418,428,429,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00078 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0404_00079 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,257,258,260,262,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,616,619,620,621,627,629,631,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,762,806,820,822,825 +0404_00080 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0404_00081 10,11,12,13,15,19,20,21,144,145,149,150,151,179,180,183,186,187,193,284,285,286,287,309,333,334,335,336,337,340,341,342,345,347,352,353,367,375,381,391,406,407,417,419,421,431,433,435,441,442,443,444,447,453,454,463,491,517,525,536,537,538,540,554,557,567,572,580,582,583,593,600,606,615,616,618,638,639,641,643,661,672,673,679,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,704,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,843,861,862,864,869 +0404_00082 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0404_00083 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0404_00084 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0404_00085 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0404_00086 10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0404_00087 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0404_00088 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0404_00089 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0404_00090 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0404_00091 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0404_00092 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0404_00093 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,335,336,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,593,596,598,600,604,608,609,614,615,616,619,635,641,646,647,657,660,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0404_00094 10,11,12,13,15,19,179,180,186,187,193,194,256,258,260,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0404_00095 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,567,571,574,575,579,580,583,585,593,595,596,598,600,604,605,608,609,614,615,616,619,620,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0404_00096 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0404_00097 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 diff --git a/processed_data/0404/0404_gradient.tsv b/processed_data/0404/0404_gradient.tsv new file mode 100644 index 000000000..63ac54525 --- /dev/null +++ b/processed_data/0404/0404_gradient.tsv @@ -0,0 +1,8 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 100 0 +2.5 0.28 100 0 +7.5 0.28 70 30 +12.5 0.28 70 30 +15 0.28 60 40 +20 0.28 0 100 +27.5 0.28 0 100 diff --git a/processed_data/0404/0404_info.tsv b/processed_data/0404/0404_info.tsv new file mode 100644 index 000000000..d5141dcf7 --- /dev/null +++ b/processed_data/0404/0404_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0404 10.1016/j.chroma.2015.03.063 Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron ROASMI_49 diff --git a/processed_data/0404/0404_metadata.tsv b/processed_data/0404/0404_metadata.tsv new file mode 100644 index 000000000..95c76d297 --- /dev/null +++ b/processed_data/0404/0404_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0404 Thermo Scientific Accucore C18 L1 150 2.1 2.6 24 0.4 0.8268749999999999 90 0 10 0 0 0 0 0 0 0 0 0 0 10 mM 0 0 0 0 0 0 0 0 0 0 20 80 0 0 0 0 0 0 0 0 0 0 0 10 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 100 0 0 diff --git a/processed_data/0404/0404_report_canonical.pdf b/processed_data/0404/0404_report_canonical.pdf new file mode 100644 index 000000000..17548222f Binary files /dev/null and b/processed_data/0404/0404_report_canonical.pdf differ diff --git a/processed_data/0404/0404_report_isomeric.pdf b/processed_data/0404/0404_report_isomeric.pdf new file mode 100644 index 000000000..72f3b7207 Binary files /dev/null and b/processed_data/0404/0404_report_isomeric.pdf differ diff --git a/processed_data/0404/0404_rtdata_canonical_success.tsv b/processed_data/0404/0404_rtdata_canonical_success.tsv new file mode 100644 index 000000000..f9c9037ab --- /dev/null +++ b/processed_data/0404/0404_rtdata_canonical_success.tsv @@ -0,0 +1,98 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0404_00001 C10H15NO 2.754333333 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00002 C10H15NO 2.754333333 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00003 C6H10N4 2.9315 C1CCC2=NN=NN2CC1 InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 CWRVKFFCRWGWCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepines (CHEMONTID:0000069) NA (NA) NA (NA) NA (NA) +0404_00004 C10H13NO 2.9915 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00005 C17H21NO4 3.1315 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00006 C11H17NO 3.2685 CC(C(C1=CC=CC=C1)O)N(C)C InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3 FMCGSUUBYTWNDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00007 C11H13NO3 3.4385 CC(C(=O)C1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3 VKEQBMCRQDSRET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00008 C9H8N2O2 3.6485 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0404_00009 C9H13N 3.774333333 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00010 C16H24N2O3 4.2185 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20) LWAFSWPYPHEXKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Hydroquinolines (CHEMONTID:0001715) NA (NA) NA (NA) +0404_00011 C10H13NO2 4.225666667 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00012 C10H15N 4.367166667 CC(C)(CC1=CC=CC=C1)N InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3 DHHVAGZRUROJKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00013 C11H16N2 4.4485 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0404_00014 C18H21NO3 4.4815 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0404_00015 C10H15N 4.664333333 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00016 C16H19NO4 4.8115 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0404_00017 C11H15NO 4.887166667 CC1C(OCCN1)C2=CC=CC=C2 InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3 OOBHFESNSZDWIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00018 C17H27NO4 4.967166667 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3 VWPOSFSPZNDTMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0404_00019 C18H21NO4 5.112833333 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0404_00020 C11H15NO2 5.12 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00021 C14H20N2O2 5.1515 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0404_00022 C11H12N2O 5.427166667 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0404_00023 C10H14N2O 5.49 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0404_00024 C7H17N 6.127166667 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0404_00025 C11H15NO 6.274333333 CC1=CC=C(C=C1)C(=O)C(C)NC InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3 YELGFTGWJGBAQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00026 C10H15N 6.4185 CC1=CC=CC=C1CC(C)N InChI=1S/C10H15N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZEMQBDFHXOOXLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00027 C14H18N4O3 6.444333333 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0404_00028 C12H11N7 6.51 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0404_00029 C11H17NO 6.542833333 CC(CC1=CC=CC=C1OC)NC InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 OEHAYUOVELTAPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00030 C21H22N2O2 6.6815 C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2 QMGVPVSNSZLJIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0404_00031 C12H17NO 6.9885 CCNC(C)C(=O)C1=CC=C(C=C1)C InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3 ZOXZWYWOECCBSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00032 C13H24N4O3S 7.05 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0404_00033 C18H28N2O4 7.074333333 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00034 C9H19N 7.125666667 CC(CCC=C(C)C)NC InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 XVQUOJBERHHONY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0404_00035 C15H25NO3 7.334333333 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0404_00036 C16H25NO2 7.442833333 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0404_00037 C42H52N4O12 7.62 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8) OBRNDARFFFHCGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00038 C17H25NO3 7.6315 CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3 IXHBTMCLRNMKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0404_00039 C16H14O3 8.0485 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0404_00040 C12H17NO3 8.0715 CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3 BQJODPIMMWWMFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0404_00041 C12H17NO 8.08 CC1C(OCCN1C)C2=CC=CC=C2 InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3 MFOCDFTXLCYLKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00042 C16H25NO4 8.097166667 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 AQNDDEOPVVGCPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00043 C20H33N3O4 8.15 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00044 C18H29N3O5 8.2815 CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 ANZXOIAKUNOVQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0404_00045 C10H21N 8.35 CC(CC1CCCCC1)NC InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 JCRIVQIOJSSCQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0404_00046 C15H23NO3 8.5715 CC(C)NCC(COC1=CC=CC=C1OCC=C)O InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3 CEMAWMOMDPGJMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00047 C9H11NO 8.592833333 CC(C(=O)C1=CC=CC=C1)N InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3 PUAQLLVFLMYYJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00048 C17H21NO4 8.592833333 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0404_00049 C13H19NO4S 8.74 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0404_00050 C15H21NO2 8.7985 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0404_00051 C18H31NO4 8.855666667 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0404_00052 C18H23N5O2 8.902833333 CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 NMCHYWGKBADVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0404_00053 C12H16N2 8.947166667 CC(CC1=CC=CC=C1)NCCC#N InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3 IQUFSXIQAFPIMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00054 C16H21NO3 8.965666667 CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3 InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3 SYHGEUNFJIGTRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Butyrophenones (CHEMONTID:0000350) NA (NA) NA (NA) +0404_00055 C19H24N2O3 9.002833333 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0404_00056 C19H16O4 9.01 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0404_00057 C15H21N 9.0985 CCNC1C2CCC(C2)C1C3=CC=CC=C3 InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3 IKFBPFGUINLYQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0404_00058 C20H23NO4 9.102833333 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24) BNFRJXLZYUTIII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0404_00059 C19H27NO 9.1885 CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3 VOKSWYLNZZRQPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) 6,7-benzomorphans (CHEMONTID:0004131) 2,6-dimethyl-3-benzazocines (CHEMONTID:0004823) NA (NA) NA (NA) +0404_00060 C17H20N2O5S 9.252833333 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0404_00061 C21H28O5 9.337166667 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00062 C21H28O5 9.337166667 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00063 C21H26O5 9.4015 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00064 C15H23N 9.5085 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00065 C17H27NO4 9.525666667 CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 BQIPXWYNLPYNHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0404_00066 C14H16N2O3 9.655666667 C1=CC=C2C(=C1)C=CC=C2OCC(CC(=NO)N)O InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16) UPZVYDSBLFNMLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0404_00067 C16H21NO2 9.857166667 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0404_00068 C15H23NO2 10.06716667 CC(C)NCC(COC1=CC=CC=C1CC=C)O InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 PAZJSJFMUHDSTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00069 C18H29NO3 10.21566667 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0404_00070 C15H12N2O 10.70716667 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0404_00071 C22H30O5 10.96 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00072 C18H25NO 11.01 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0404_00073 C17H19N5 12.19 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00074 C24H32O6 12.74566667 CC12CC(C3C(C1CC4C2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=CC35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3 WBGKWQHBNHJJPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00075 C15H15NO2 13.03716667 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0404_00076 C15H19NO 14.8215 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3 DLGIIZAHQPTVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00077 C13H17N 15.07 CC(CC1=CC=CC=C1)N(C)CC#C InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3 MEZLKOACVSPNER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00078 C22H28N2O 15.0815 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0404_00079 C24H26N2O4 15.36716667 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 OGHNVEJMJSYVRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0404_00080 C19H21N 15.61566667 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0404_00081 C25H31NO6 15.6985 CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3 FBHSPRKOSMHSIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0404_00082 C21H27NO 16.47283333 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0404_00083 C25H37NO4 16.97433333 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0404_00084 C17H18N2O6 17.15433333 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0404_00085 C20H23N 17.1915 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0404_00086 C13H12N2O5S 17.23566667 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0404_00087 C21H24O2 17.4785 CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3 BJJXHLWLUDYTGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0404_00088 C17H21N 17.7585 CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3 YXKTVDFXDRQTKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00089 C15H22O3 17.89433333 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00090 C21H28O2 18.64716667 CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3 WZDGZWOAQTVYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0404_00091 C21H28O2 18.83283333 CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3 OXHNQTSIKGHVBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0404_00092 C21H28O4 18.9485 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0404_00093 C25H32N2O2 19.02283333 CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3 INUNXTSAACVKJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0404_00094 C26H29NO 21.19 CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3 NKANXQFJJICGDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0404_00095 C23H29NO3 21.25 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3 BAQKJENAVQLANS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00096 C24H31N3O 21.29433333 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0404_00097 C29H41NO4 22.18566667 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3 RMRJXGBAOAMLHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) diff --git a/processed_data/0404/0404_rtdata_isomeric_success.tsv b/processed_data/0404/0404_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..5714f7f16 --- /dev/null +++ b/processed_data/0404/0404_rtdata_isomeric_success.tsv @@ -0,0 +1,98 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0404_00001 C10H15NO 2.754333333 C[C@@H]([C@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 KWGRBVOPPLSCSI-WCBMZHEXSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00002 C10H15NO 2.754333333 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00003 C6H10N4 2.9315 C1CCC2=NN=NN2CC1 InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 CWRVKFFCRWGWCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepines (CHEMONTID:0000069) NA (NA) NA (NA) NA (NA) +0404_00004 C10H13NO 2.9915 CC(C(=O)C1=CC=CC=C1)NC InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3 LPLLVINFLBSFRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00005 C17H21NO4 3.1315 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00006 C11H17NO 3.2685 C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1 FMCGSUUBYTWNDP-ONGXEEELSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00007 C11H13NO3 3.4385 CC(C(=O)C1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3 VKEQBMCRQDSRET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00008 C9H8N2O2 3.6485 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0404_00009 C9H13N 3.774333333 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00010 C16H24N2O3 4.2185 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20) LWAFSWPYPHEXKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Hydroquinolines (CHEMONTID:0001715) NA (NA) NA (NA) +0404_00011 C10H13NO2 4.225666667 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00012 C10H15N 4.367166667 CC(C)(CC1=CC=CC=C1)N InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3 DHHVAGZRUROJKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00013 C11H16N2 4.4485 C1CN(CCN1)CC2=CC=CC=C2 InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 IQXXEPZFOOTTBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0404_00014 C18H21NO3 4.4815 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0404_00015 C10H15N 4.664333333 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00016 C16H19NO4 4.8115 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0404_00017 C11H15NO 4.887166667 CC1C(OCCN1)C2=CC=CC=C2 InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3 OOBHFESNSZDWIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00018 C17H27NO4 4.967166667 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1 VWPOSFSPZNDTMJ-UCWKZMIHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0404_00019 C18H21NO4 5.112833333 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0404_00020 C11H15NO2 5.12 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0404_00021 C14H20N2O2 5.1515 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0404_00022 C11H12N2O 5.427166667 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0404_00023 C10H14N2O 5.49 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0404_00024 C7H17N 6.127166667 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0404_00025 C11H15NO 6.274333333 CC1=CC=C(C=C1)C(=O)C(C)NC InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3 YELGFTGWJGBAQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00026 C10H15N 6.4185 CC1=CC=CC=C1CC(C)N InChI=1S/C10H15N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6,9H,7,11H2,1-2H3 ZEMQBDFHXOOXLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00027 C14H18N4O3 6.444333333 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0404_00028 C12H11N7 6.51 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0404_00029 C11H17NO 6.542833333 CC(CC1=CC=CC=C1OC)NC InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3 OEHAYUOVELTAPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00030 C21H22N2O2 6.6815 C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0404_00031 C12H17NO 6.9885 CCNC(C)C(=O)C1=CC=C(C=C1)C InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3 ZOXZWYWOECCBSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00032 C13H24N4O3S 7.05 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 BLJRIMJGRPQVNF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0404_00033 C18H28N2O4 7.074333333 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00034 C9H19N 7.125666667 CC(CCC=C(C)C)NC InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 XVQUOJBERHHONY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0404_00035 C15H25NO3 7.334333333 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0404_00036 C16H25NO2 7.442833333 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0404_00037 C42H52N4O12 7.62 C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m00./s1 OBRNDARFFFHCGE-PERKLWIXSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00038 C17H25NO3 7.6315 CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3 IXHBTMCLRNMKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0404_00039 C16H14O3 8.0485 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0404_00040 C12H17NO3 8.0715 CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3 BQJODPIMMWWMFC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0404_00041 C12H17NO 8.08 C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2 InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1 MFOCDFTXLCYLKU-CMPLNLGQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00042 C16H25NO4 8.097166667 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 AQNDDEOPVVGCPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00043 C20H33N3O4 8.15 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00044 C18H29N3O5 8.2815 CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 ANZXOIAKUNOVQU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0404_00045 C10H21N 8.35 CC(CC1CCCCC1)NC InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3 JCRIVQIOJSSCQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0404_00046 C15H23NO3 8.5715 CC(C)NCC(COC1=CC=CC=C1OCC=C)O InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3 CEMAWMOMDPGJMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00047 C9H11NO 8.592833333 C[C@@H](C(=O)C1=CC=CC=C1)N InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1 PUAQLLVFLMYYJJ-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0404_00048 C17H21NO4 8.592833333 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0404_00049 C13H19NO4S 8.74 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0404_00050 C15H21NO2 8.7985 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0404_00051 C18H31NO4 8.855666667 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0404_00052 C18H23N5O2 8.902833333 CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 NMCHYWGKBADVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0404_00053 C12H16N2 8.947166667 CC(CC1=CC=CC=C1)NCCC#N InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3 IQUFSXIQAFPIMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00054 C16H21NO3 8.965666667 CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3 InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3 SYHGEUNFJIGTRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Butyrophenones (CHEMONTID:0000350) NA (NA) NA (NA) +0404_00055 C19H24N2O3 9.002833333 CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) SGUAFYQXFOLMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0404_00056 C19H16O4 9.01 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0404_00057 C15H21N 9.0985 CCNC1C2CCC(C2)C1C3=CC=CC=C3 InChI=1S/C15H21N/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3 IKFBPFGUINLYQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0404_00058 C20H23NO4 9.102833333 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24) BNFRJXLZYUTIII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0404_00059 C19H27NO 9.1885 C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 VOKSWYLNZZRQPF-GDIGMMSISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) 6,7-benzomorphans (CHEMONTID:0004131) 2,6-dimethyl-3-benzazocines (CHEMONTID:0004823) NA (NA) NA (NA) +0404_00060 C17H20N2O5S 9.252833333 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0404_00061 C21H28O5 9.337166667 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 OIGNJSKKLXVSLS-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00062 C21H28O5 9.337166667 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00063 C21H26O5 9.4015 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 XOFYZVNMUHMLCC-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00064 C15H23N 9.5085 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00065 C17H27NO4 9.525666667 CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3 BQIPXWYNLPYNHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol esters (CHEMONTID:0002319) NA (NA) NA (NA) NA (NA) +0404_00066 C14H16N2O3 9.655666667 C1=CC=C2C(=C1)C=CC=C2OCC(C/C(=N\O)/N)O InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16) UPZVYDSBLFNMLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0404_00067 C16H21NO2 9.857166667 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0404_00068 C15H23NO2 10.06716667 CC(C)NCC(COC1=CC=CC=C1CC=C)O InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 PAZJSJFMUHDSTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00069 C18H29NO3 10.21566667 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0404_00070 C15H12N2O 10.70716667 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0404_00071 C22H30O5 10.96 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-PJHHCJLFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00072 C18H25NO 11.01 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0404_00073 C17H19N5 12.19 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0404_00074 C24H32O6 12.74566667 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1 WBGKWQHBNHJJPZ-LECWWXJVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0404_00075 C15H15NO2 13.03716667 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0404_00076 C15H19NO 14.8215 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3 DLGIIZAHQPTVCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00077 C13H17N 15.07 C[C@H](CC1=CC=CC=C1)N(C)CC#C InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 MEZLKOACVSPNER-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00078 C22H28N2O 15.0815 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0404_00079 C24H26N2O4 15.36716667 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 OGHNVEJMJSYVRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0404_00080 C19H21N 15.61566667 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0404_00081 C25H31NO6 15.6985 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1 FBHSPRKOSMHSIF-GRMWVWQJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0404_00082 C21H27NO 16.47283333 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0404_00083 C25H37NO4 16.97433333 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0404_00084 C17H18N2O6 17.15433333 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0404_00085 C20H23N 17.1915 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0404_00086 C13H12N2O5S 17.23566667 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0404_00087 C21H24O2 17.4785 CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 BJJXHLWLUDYTGC-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0404_00088 C17H21N 17.7585 C[C@@H](CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1 YXKTVDFXDRQTKV-HNNXBMFYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0404_00089 C15H22O3 17.89433333 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0404_00090 C21H28O2 18.64716667 C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1 WZDGZWOAQTVYBX-XOINTXKNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0404_00091 C21H28O2 18.83283333 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1 OXHNQTSIKGHVBH-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0404_00092 C21H28O4 18.9485 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1 YOVRGSHRZRJTLZ-HZPDHXFCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0404_00093 C25H32N2O2 19.02283333 C[C@H](CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m1/s1 INUNXTSAACVKJS-OAQYLSRUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0404_00094 C26H29NO 21.19 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- NKANXQFJJICGDU-QPLCGJKRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0404_00095 C23H29NO3 21.25 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3 BAQKJENAVQLANS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) Phenylmorpholines (CHEMONTID:0000370) NA (NA) +0404_00096 C24H31N3O 21.29433333 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0404_00097 C29H41NO4 22.18566667 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 RMRJXGBAOAMLHD-IHFGGWKQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) diff --git a/processed_data/0404/0404_validation_qspr_outliers.tsv b/processed_data/0404/0404_validation_qspr_outliers.tsv new file mode 100644 index 000000000..37e26f385 --- /dev/null +++ b/processed_data/0404/0404_validation_qspr_outliers.tsv @@ -0,0 +1,5 @@ +id error +0404_00037 6.60693316456035 +0404_00059 7.077239649466387 +0404_00077 5.558865157583437 +0404_00086 8.462888992078815 diff --git a/processed_data/0405/0405_descriptors_canonical_success.tsv b/processed_data/0405/0405_descriptors_canonical_success.tsv new file mode 100644 index 000000000..3c51316f0 --- /dev/null +++ b/processed_data/0405/0405_descriptors_canonical_success.tsv @@ -0,0 +1,100 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 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20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,306,308,312,338,347,358,361,370,403,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,778,826,833,850,864,888,909,918,919,948,959,994 +0405_00055 21,57,62,64,141,142,153,154,207,263,266,283,292,312,347,361,390,411,481,487,508,556,583,588,599,611,626,662,692,698,724,729,755,757,763,778,781,806,826,850,887,936,948,954,974,977,994 +0405_00056 20,50,62,64,94,101,108,124,134,153,154,171,186,207,262,272,283,295,306,312,332,338,345,347,361,396,423,434,480,481,497,508,511,526,530,556,588,599,626,627,640,662,700,723,727,741,755,778,781,826,833,850,864,888,897,909,919,948,994,1004 +0405_00057 15,20,26,44,60,89,94,153,159,161,207,222,229,231,243,244,261,285,330,343,379,401,414,417,453,480,489,492,499,508,530,566,605,609,613,618,623,626,655,659,670,674,677,686,690,726,727,752,758,762,769,772,793,795,802,806,818,851,873,883,936,948,949,952,964,971,983,1009,1022 +0405_00058 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00059 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00060 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0405_00061 20,50,60,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,919,948,994 +0405_00062 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0405_00063 20,25,62,64,78,94,101,124,134,137,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,429,473,480,481,497,508,511,514,526,530,556,599,626,627,640,662,700,727,748,778,826,833,850,888,909,918,919,948,994,1019 +0405_00064 4,30,50,57,62,64,84,138,142,153,154,157,163,207,267,283,292,312,320,347,357,361,390,429,430,465,468,481,508,540,556,558,599,600,603,606,626,641,662,700,718,734,740,755,763,776,778,779,826,833,850,864,877,911,919,921,926,932,948,954,955,987,994 +0405_00065 20,50,62,64,94,101,124,134,140,153,154,163,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,826,833,850,864,888,909,918,919,948,994 +0405_00066 4,30,57,62,84,138,142,153,157,207,267,283,292,320,347,357,390,429,430,465,468,508,540,556,600,603,606,626,641,662,700,718,734,740,755,763,776,778,779,781,826,833,877,911,919,921,926,932,948,954,955,987,994 +0405_00067 20,31,62,68,96,134,151,153,211,242,312,345,347,391,430,487,508,544,550,727,778,805,826,855,865,879,889,948,949,968,994,1006 +0405_00068 20,50,57,62,64,84,96,101,137,138,142,153,154,183,186,207,267,280,283,292,295,308,312,320,321,347,361,370,390,396,429,430,465,481,497,508,530,540,542,544,556,588,599,600,625,626,640,700,718,727,734,741,748,763,778,779,826,831,833,850,864,877,897,911,918,919,921,932,948,954,955,987,994,1019 +0405_00069 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,918,919,948,994 +0405_00070 20,62,80,137,153,159,270,283,326,360,366,392,442,480,497,508,516,530,556,626,662,666,727,734,755,778,781,826,845,918,932,948,994,1007 +0405_00071 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0405_00072 20,62,153,247,283,341,440,481,497,508,530,556,569,659,662,727,755,778,781,826,918,940,948,994 +0405_00073 20,50,62,64,80,137,153,154,159,270,283,312,326,360,361,366,392,442,480,481,497,508,516,530,556,558,599,626,662,666,727,734,755,778,781,826,845,850,864,918,932,948,994,1007 +0405_00074 20,50,62,64,96,101,137,153,154,183,186,207,283,292,295,308,312,326,347,361,370,390,396,474,481,497,508,530,542,544,556,576,588,599,625,626,636,640,662,727,741,748,778,779,807,826,845,850,864,897,918,948,994,1019 +0405_00075 20,50,64,94,153,154,186,295,312,321,361,391,396,480,481,497,508,522,530,556,586,588,599,611,626,662,715,727,741,752,778,803,804,850,864,897,918,948,976,994 +0405_00076 4,15,20,26,27,41,75,89,94,134,144,153,207,222,237,238,255,259,274,276,285,333,416,422,429,432,435,473,478,499,508,513,517,534,564,570,603,617,626,656,668,681,727,730,772,778,779,802,838,855,901,927,943,948,959,965,968,975,1022 +0405_00077 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00078 20,50,62,64,94,153,154,163,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,803,826,850,864,918,948,976,994 +0405_00079 20,50,62,64,153,154,247,283,312,341,361,440,481,497,508,530,556,558,569,599,659,662,727,755,778,781,826,850,864,918,940,948,994 +0405_00080 20,50,64,94,153,186,312,321,332,382,396,480,508,522,530,586,588,611,626,641,715,723,727,741,752,804,850,897,948,994 +0405_00081 20,50,51,62,64,94,101,137,153,154,172,186,283,295,312,321,391,396,441,480,481,508,530,588,626,727,741,752,778,826,850,864,897,948,976,994 +0405_00082 20,64,111,153,173,234,243,269,280,361,417,419,466,508,524,530,537,625,663,698,727,756,757,762,847,850,896,948,1014 +0405_00083 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00084 20,50,51,64,94,153,172,186,295,312,321,391,396,441,480,481,508,522,530,586,588,611,626,715,727,741,752,778,804,850,897,948,976,994 +0405_00085 20,50,62,64,94,101,137,153,154,186,283,295,312,321,361,391,396,480,481,497,508,530,556,588,599,626,727,741,752,778,803,826,850,864,897,918,948,976,994 +0405_00086 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0405_00087 20,62,153,247,283,341,440,481,497,508,530,556,569,659,662,727,755,778,781,826,918,940,948,994 +0405_00088 20,50,62,64,153,154,247,283,312,341,361,440,481,497,508,530,556,558,569,599,659,662,727,755,778,781,826,850,864,918,940,948,994 +0405_00089 20,50,62,64,94,153,154,163,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,803,826,850,864,918,948,976,994 +0405_00090 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00091 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,918,919,948,994 +0405_00092 13,15,18,25,26,49,60,79,89,101,119,124,134,151,153,169,182,184,188,193,207,214,219,222,231,245,258,285,288,327,340,343,351,400,470,492,494,499,508,513,515,540,547,575,586,618,626,690,696,726,727,729,752,772,778,793,795,802,806,814,818,823,874,883,904,936,944,948,961,968,992 +0405_00093 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00094 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 +0405_00095 20,48,50,57,62,64,84,101,124,137,138,140,153,154,167,171,186,207,267,283,292,295,306,308,312,320,321,347,358,361,370,396,429,430,481,497,508,530,540,542,544,556,565,588,599,600,625,640,648,662,663,698,700,718,727,734,741,746,747,748,755,763,778,781,826,833,850,857,864,877,897,911,918,919,921,932,948,954,994,1019 +0405_00096 20,31,49,68,96,134,151,153,157,207,211,225,231,242,312,347,391,430,480,487,508,544,550,556,662,674,727,778,802,855,860,879,889,904,948,949,968,992,1002,1006 +0405_00097 4,20,31,62,68,96,134,151,153,157,211,242,283,312,347,391,430,487,508,544,550,556,662,674,727,755,778,781,826,855,860,879,889,948,949,968,994,1006 +0405_00098 7,13,15,21,25,26,49,60,88,89,99,117,134,148,153,207,214,219,222,231,236,245,255,285,288,308,315,327,331,343,351,357,399,470,492,494,499,508,513,515,547,566,567,586,603,618,698,726,727,742,772,778,782,795,802,806,816,877,883,884,898,904,944,948,949,961,968,992,1022 +0405_00099 20,48,50,51,57,62,64,84,124,138,153,154,167,171,172,186,207,267,283,292,295,306,308,312,320,321,347,358,361,370,384,396,429,430,481,497,508,522,530,540,544,556,565,586,588,599,600,611,613,625,640,648,662,663,698,700,715,718,726,727,734,741,746,747,755,763,778,781,804,826,833,850,857,864,877,897,911,919,921,932,948,954,994,1019 diff --git a/processed_data/0405/0405_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0405/0405_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..2a9ec4d14 --- /dev/null +++ b/processed_data/0405/0405_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,100 @@ +id bits.on +0405_00001 153,326,626,666,700,718,833,916,919,932,948 +0405_00002 20,138,153,207,266,387,390,434,508,511,526,575,615,626,627,682,700,707,725,727,779,833,919,932,948 +0405_00003 15,153,177,207,256,278,323,325,326,390,436,508,538,576,626,653,701,721,729,753,850,921 +0405_00004 20,62,94,107,118,141,153,185,207,225,231,250,283,293,411,441,481,508,556,626,635,679,727,755,778,826,948,994 +0405_00005 15,20,32,33,89,94,108,233,237,276,404,427,473,508,559,566,626,645,662,677,710,727,772,976 +0405_00006 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0405_00007 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +0405_00008 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0405_00009 20,94,107,141,153,188,207,231,343,363,418,481,508,559,626,665,702,727,836,881,915,948,992,1015 +0405_00010 134,154,245,308,317,405,422,479,508,509,512,517,582,662,743,755,787,834,866,948,968,984,1013 +0405_00011 36,72,134,278,349,508,550,620,626,640,662,676,712,733,825,850,897,947,964,968 +0405_00012 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0405_00013 15,233,237,404,662,1009 +0405_00014 15,20,32,39,49,56,61,79,89,94,107,150,153,155,207,233,237,255,320,347,411,508,516,518,527,536,594,615,626,655,662,687,727,739,772,802,924,948 +0405_00015 7,20,37,48,89,94,134,136,149,195,204,220,227,247,260,278,300,317,320,347,461,464,493,508,516,530,533,550,557,562,626,659,677,719,727,762,777,779,785,799,812,865,873,876,927,936,948,960,968,974 +0405_00016 20,31,62,68,94,96,102,107,116,134,141,153,169,207,211,228,265,315,347,387,442,481,487,508,511,550,563,587,626,699,727,776,789,859,887,968,1001 +0405_00017 20,153,326,358,508,626,727,898,1018 +0405_00018 15,134,175,245,257,298,347,461,465,481,497,508,524,575,823,1008,1012 +0405_00019 20,94,96,134,141,145,177,188,304,421,469,487,491,508,510,550,551,626,720,727,741,825,829,850,911,968,1010 +0405_00020 19,20,62,94,96,107,134,141,145,153,207,230,270,421,449,481,482,487,508,528,550,558,588,626,727,747,776,789,968,989 +0405_00021 20,94,118,144,145,153,207,270,313,326,360,390,423,467,480,482,502,508,516,530,535,541,554,626,669,681,688,727,752,763,857,888,917,948,977 +0405_00022 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0405_00023 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0405_00024 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0405_00025 20,62,94,101,124,134,153,171,182,207,225,262,272,306,338,347,423,480,497,508,511,526,530,626,627,640,700,727,747,833,888,909,915,919,948,994 +0405_00026 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0405_00027 9,12,40,45,81,116,132,134,272,307,316,335,385,393,405,485,487,505,524,550,552,573,576,585,657,686,725,845,865,948,968,977,987 +0405_00028 24,56,63,65,96,134,183,220,302,348,362,393,405,487,494,515,536,550,577,580,658,682,686,689,731,736,760,765,935,948,968,1012 +0405_00029 2,20,39,49,56,59,61,87,138,153,207,231,233,249,296,297,340,366,387,419,422,438,508,516,527,530,586,674,727,739,757,771,802,829,915,929,948 +0405_00030 29,84,134,189,201,372,390,427,452,479,515,522,539,550,566,626,640,662,676,678,705,797,849,927,947,968 +0405_00031 20,56,62,94,96,107,113,134,145,153,207,231,244,270,341,348,366,421,425,440,465,481,487,508,516,522,530,550,588,626,655,702,727,739,807,829,833,887,893,896,901,930,940,968 +0405_00032 20,62,94,101,111,124,134,153,171,207,262,272,306,338,347,358,370,423,434,480,497,508,511,526,530,626,627,640,700,727,778,826,833,868,888,909,919,948,994 +0405_00033 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0405_00034 13,15,20,47,62,88,89,94,96,103,134,141,145,153,175,190,207,230,237,270,307,367,371,397,415,421,427,449,457,481,487,508,523,524,528,540,550,558,588,626,645,677,727,772,776,814,940,968,989 +0405_00035 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0405_00036 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0405_00037 3,20,64,96,129,134,145,153,295,298,344,350,365,369,390,405,410,421,481,487,506,508,515,516,548,550,555,575,589,596,615,635,662,669,677,727,754,797,887,889,897,898,927,953,968,1011,1017 +0405_00038 20,56,62,94,96,107,133,134,141,145,153,207,230,270,276,301,314,421,449,481,487,508,516,528,550,558,588,626,655,727,731,739,776,820,857,907,917,950,968,989,992,1002 +0405_00039 20,37,50,62,64,94,101,108,124,134,153,171,207,262,272,306,312,332,338,345,347,423,434,474,480,497,508,511,526,530,626,627,632,640,700,727,785,833,850,888,909,919,937,948,994,1004 +0405_00040 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0405_00041 20,50,62,64,94,101,108,124,134,153,171,207,262,272,306,308,312,332,338,345,347,403,423,434,474,480,481,497,508,511,526,530,558,626,627,640,700,727,778,826,833,850,888,909,919,948,959,994,1004 +0405_00042 17,20,26,51,65,94,134,153,158,178,220,226,245,260,306,340,405,429,456,508,524,541,550,554,611,613,626,628,648,654,689,726,727,731,776,781,783,827,863,938,946,948,968,972,994,1020 +0405_00043 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0405_00044 20,50,64,94,101,108,124,134,153,171,186,207,262,272,306,312,332,338,345,347,396,423,434,480,497,508,511,522,526,530,586,588,611,626,627,640,700,715,723,727,741,804,833,850,888,897,909,919,948,994,1004 +0405_00045 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00046 20,50,62,64,94,101,108,124,134,137,153,154,171,207,262,272,283,306,312,332,338,345,347,423,434,474,480,481,497,508,511,526,530,558,626,627,640,700,727,778,826,833,850,864,888,909,919,948,994,1004 +0405_00047 4,11,14,15,20,26,60,71,76,85,87,89,94,128,153,159,161,163,207,215,222,223,231,237,270,278,285,290,316,366,427,439,455,480,486,491,499,501,503,508,516,517,524,530,580,584,591,594,608,614,626,690,697,719,723,727,758,759,772,793,801,802,809,818,838,860,871,909,918,927,936,948,964,976,1012 +0405_00048 20,28,39,58,65,66,73,77,82,94,126,129,134,153,154,180,191,207,220,223,236,245,248,266,293,299,332,356,357,367,391,405,418,457,468,480,490,494,495,506,508,525,530,541,567,571,579,582,592,614,615,620,626,627,662,687,689,727,752,756,772,783,786,802,840,841,850,853,885,911,918,941,942,946,947,948,949,963,997 +0405_00049 20,50,51,62,64,94,101,124,134,153,154,163,171,172,207,262,272,283,306,312,338,347,358,361,370,384,423,480,481,497,508,511,526,530,556,558,626,627,640,700,726,727,755,778,826,833,850,864,888,909,919,948,994 +0405_00050 4,5,15,20,26,49,60,76,85,87,89,94,108,118,128,153,159,163,207,222,228,231,252,270,278,281,285,290,316,326,340,351,352,366,401,402,408,424,437,439,480,482,499,501,508,516,524,530,566,584,609,626,657,690,713,727,753,759,772,777,802,818,851,860,871,879,927,936,948,964,969,976,987,999,1003,1009,1015,1022 +0405_00051 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,306,308,312,338,347,358,361,370,403,423,480,481,497,508,511,526,530,556,558,599,626,627,640,700,727,748,778,826,833,850,864,888,909,918,919,948,959,994 +0405_00052 20,25,60,62,64,78,94,101,124,134,140,153,154,171,207,262,272,306,308,312,334,338,347,358,361,370,403,423,429,473,480,481,497,508,511,514,526,530,556,626,627,640,700,727,748,778,826,833,850,888,909,919,948,994,1019 +0405_00053 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 +0405_00054 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,306,308,312,338,347,358,361,370,403,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,778,826,833,850,864,888,909,918,919,948,959,994 +0405_00055 44,57,62,64,141,151,153,154,207,266,283,292,312,320,347,361,390,399,411,438,481,508,530,556,588,599,626,650,662,673,692,724,729,755,757,763,778,781,826,850,943,948,954,955,986,994 +0405_00056 20,50,62,64,94,101,108,124,134,153,154,171,186,207,262,272,283,295,306,312,332,338,345,347,361,396,423,434,480,481,497,508,511,526,530,556,588,599,626,627,640,662,700,723,727,741,755,778,781,826,833,850,864,888,897,909,919,948,994,1004 +0405_00057 5,15,20,26,49,60,76,85,87,89,94,108,118,153,163,182,207,222,228,231,252,261,281,285,290,316,326,340,351,352,401,402,408,424,437,480,482,499,508,530,566,609,626,657,690,710,713,727,752,753,759,772,777,802,818,851,860,879,936,948,964,969,976,987,999,1003,1009,1015,1022 +0405_00058 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00059 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00060 20,29,94,100,107,134,154,207,224,226,251,350,353,369,381,390,476,487,508,515,523,550,626,627,640,647,727,866,923,968 +0405_00061 20,50,60,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,919,948,994 +0405_00062 2,20,57,62,84,96,138,142,153,183,207,267,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0405_00063 20,25,62,64,78,94,101,124,134,137,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,429,473,480,481,497,508,511,514,526,530,556,599,626,627,640,662,700,727,748,778,826,833,850,888,909,918,919,948,994,1019 +0405_00064 4,30,50,57,62,64,84,138,142,153,154,157,163,207,267,283,292,312,320,347,357,361,390,418,429,430,465,468,481,508,540,556,558,599,600,603,606,626,641,662,700,718,734,755,763,776,778,779,826,833,850,864,877,911,919,921,926,932,948,954,955,987,994 +0405_00065 20,50,62,64,94,101,124,134,140,153,154,163,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,826,833,850,864,888,909,918,919,948,994 +0405_00066 4,30,57,62,84,138,142,153,157,207,267,283,292,320,347,357,390,418,429,430,465,468,508,540,556,600,603,606,626,641,662,700,718,734,755,763,776,778,779,781,826,833,877,911,919,921,926,932,948,954,955,987,994 +0405_00067 20,31,62,68,96,134,151,153,211,242,312,345,347,391,430,487,508,544,550,727,778,805,826,855,865,879,889,948,949,968,994,1006 +0405_00068 20,50,57,62,64,84,96,101,137,138,142,153,154,183,186,207,267,283,292,295,308,312,320,321,347,361,370,390,396,429,430,444,465,481,497,508,530,540,542,544,556,588,599,600,625,626,640,700,718,727,734,741,748,763,778,779,826,831,833,850,864,877,897,911,918,919,921,932,948,954,955,987,994,1019 +0405_00069 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,918,919,948,994 +0405_00070 20,62,80,137,153,159,270,283,326,360,366,392,442,480,497,508,516,530,556,626,662,666,727,734,755,778,781,826,845,918,932,948,994,1007 +0405_00071 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0405_00072 20,62,153,247,283,341,440,481,497,508,530,556,569,659,662,727,755,778,781,826,918,940,948,994 +0405_00073 20,50,62,64,80,137,153,154,159,270,283,312,326,360,361,366,392,442,480,481,497,508,516,530,556,558,599,626,662,666,727,734,755,778,781,826,845,850,864,918,932,948,994,1007 +0405_00074 20,50,62,64,96,101,137,153,154,183,186,207,283,292,295,308,312,326,347,361,370,390,396,474,481,497,508,530,542,544,556,576,588,599,625,626,636,640,662,727,741,748,778,779,807,826,845,850,864,897,918,948,994,1019 +0405_00075 20,50,64,94,153,154,186,295,312,321,361,391,396,480,481,497,508,522,530,556,586,588,599,611,626,662,715,727,741,752,778,803,804,850,864,897,918,948,976,994 +0405_00076 4,15,20,26,27,41,75,89,94,111,134,189,207,222,233,237,259,266,274,285,346,366,407,419,435,454,473,478,499,506,508,513,519,548,565,570,617,626,656,685,703,727,728,730,732,743,763,772,778,779,802,838,919,927,947,948,968,1022 +0405_00077 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00078 20,50,62,64,94,153,154,163,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,803,826,850,864,918,948,976,994 +0405_00079 20,50,62,64,153,154,247,283,312,341,361,440,481,497,508,530,556,558,569,599,659,662,727,755,778,781,826,850,864,918,940,948,994 +0405_00080 20,50,64,94,153,186,312,321,332,382,396,480,508,522,530,586,588,611,626,641,715,723,727,741,752,804,850,897,948,994 +0405_00081 20,50,51,62,64,94,101,137,153,154,172,186,283,295,312,321,391,396,441,480,481,508,530,588,626,727,741,752,778,826,850,864,897,948,976,994 +0405_00082 20,64,111,153,173,234,243,269,280,361,417,419,466,508,524,530,537,625,663,698,727,756,757,762,847,850,896,948,1014 +0405_00083 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00084 20,50,51,64,94,153,172,186,295,312,321,391,396,441,480,481,508,522,530,586,588,611,626,715,727,741,752,778,804,850,897,948,976,994 +0405_00085 20,50,62,64,94,101,137,153,154,186,283,295,312,321,361,391,396,480,481,497,508,530,556,588,599,626,727,741,752,778,803,826,850,864,897,918,948,976,994 +0405_00086 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0405_00087 20,62,153,247,283,341,440,481,497,508,530,556,569,659,662,727,755,778,781,826,918,940,948,994 +0405_00088 20,50,62,64,153,154,247,283,312,341,361,440,481,497,508,530,556,558,569,599,659,662,727,755,778,781,826,850,864,918,940,948,994 +0405_00089 20,50,62,64,94,153,154,163,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,803,826,850,864,918,948,976,994 +0405_00090 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00091 20,50,62,64,94,101,124,134,140,153,154,171,207,262,272,283,306,312,338,347,358,361,370,423,480,481,497,508,511,526,530,556,558,599,626,627,640,662,700,727,748,755,778,781,826,833,850,864,888,909,918,919,948,994 +0405_00092 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 +0405_00093 20,62,94,101,124,134,140,153,171,207,262,272,283,306,338,347,358,370,423,480,497,508,511,526,530,556,626,627,640,662,700,727,748,755,778,781,826,833,888,909,918,919,948,994 +0405_00094 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 +0405_00095 20,48,50,57,62,64,84,101,124,137,138,140,153,154,167,171,186,207,267,283,292,295,306,308,312,320,321,347,358,361,370,396,429,430,481,497,508,530,540,542,544,556,565,588,599,600,625,640,648,662,685,698,700,718,727,734,741,746,747,748,755,763,778,781,826,833,850,857,864,877,897,911,918,919,921,932,948,954,994,1019 +0405_00096 20,31,49,68,96,134,151,153,157,207,211,225,231,242,312,347,391,430,480,487,508,544,550,556,662,674,727,778,802,855,860,879,889,904,948,949,968,992,1002,1006 +0405_00097 4,20,31,62,68,96,134,151,153,157,211,242,283,312,347,391,430,487,508,544,550,556,662,674,727,755,778,781,826,855,860,879,889,948,949,968,994,1006 +0405_00098 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 +0405_00099 20,48,50,51,57,62,64,84,124,138,153,154,167,171,172,186,207,267,283,292,295,306,308,312,320,321,347,358,361,370,384,396,429,430,481,497,508,522,530,540,544,556,565,586,588,599,600,611,613,625,640,648,662,685,698,700,715,718,726,727,734,741,746,747,755,763,778,781,804,826,833,850,857,864,877,897,911,919,921,932,948,954,994,1019 diff --git a/processed_data/0405/0405_fingerprints_maccs_canonical_success.tsv b/processed_data/0405/0405_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..ed4eb46fa --- /dev/null +++ b/processed_data/0405/0405_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,100 @@ +id bits.on +0405_00001 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0405_00002 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00003 53,54,72,82,89,90,91,104,109,128,131,132,139,140,146,152,153,154,155,157,159,164 +0405_00004 54,84,90,91,95,104,108,111,114,115,116,118,123,128,129,131,139,147,151,154,155,156,157,158,159,160,161,164 +0405_00005 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0405_00006 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0405_00007 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0405_00008 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0405_00009 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00010 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0405_00011 113,127,139,143,152,154,157,159,162,163,164,165 +0405_00012 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0405_00013 82,83,86,90,96,100,104,111,118,121,137,138,147,151,153,158,161,165 +0405_00014 54,74,79,82,83,90,91,92,95,96,100,104,110,111,115,117,118,121,123,131,136,137,139,142,146,147,149,151,153,154,155,156,157,158,159,160,161,164,165 +0405_00015 53,54,57,72,89,92,98,110,113,117,123,126,127,131,133,135,136,137,139,140,143,145,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0405_00016 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0405_00017 53,72,82,89,90,109,131,132,138,139,146,152,153,154,155,157,159,164 +0405_00018 23,52,57,69,75,83,84,90,91,94,95,96,97,100,104,106,109,110,111,117,120,121,122,123,124,127,132,133,137,138,142,143,147,148,150,151,153,154,156,157,158,159,161,164,165 +0405_00019 99,123,139,154,157,159,162,163,164,165 +0405_00020 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00021 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0405_00022 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0405_00023 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00024 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0405_00025 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,122,123,126,128,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00026 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00027 62,65,75,80,83,85,93,96,98,120,121,122,137,142,144,148,150,156,158,160,161,162,163,165 +0405_00028 65,98,105,121,125,137,145,156,160,161,162,163,165 +0405_00029 49,74,90,92,95,104,110,111,115,117,123,128,131,132,136,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0405_00030 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0405_00031 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00032 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00033 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00034 75,79,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,131,136,137,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0405_00035 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0405_00036 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0405_00037 25,43,65,77,79,83,84,96,105,106,120,121,125,131,133,135,137,142,145,151,152,154,156,158,161,162,163,164,165 +0405_00038 54,79,84,90,92,95,104,110,111,117,123,125,131,136,139,142,145,146,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00039 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00040 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0405_00041 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00042 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00043 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0405_00044 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00045 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00046 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00047 54,66,72,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0405_00048 34,45,50,53,65,76,78,80,83,90,91,92,96,99,104,108,110,116,117,118,119,120,121,123,127,131,132,136,137,139,140,141,142,143,144,146,147,149,150,151,154,155,156,157,158,159,160,161,162,164,165 +0405_00049 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00050 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0405_00051 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00052 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00053 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0405_00054 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00055 29,43,48,54,69,84,89,90,91,95,99,102,104,106,108,109,111,112,114,115,116,118,124,126,128,129,130,131,139,140,146,147,148,151,152,153,155,156,157,158,159,160,161,164 +0405_00056 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00057 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0405_00058 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00059 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00060 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0405_00061 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00062 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00063 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00064 29,30,48,49,72,74,85,86,89,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0405_00065 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00066 29,30,48,49,72,74,85,86,89,91,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0405_00067 109,114,115,116,118,123,126,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00068 29,30,48,49,72,74,85,86,89,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00069 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00070 54,82,90,91,92,95,100,104,108,109,110,111,114,115,116,117,118,128,129,131,132,138,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00071 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00072 84,90,91,92,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00073 54,82,90,91,92,95,99,100,104,108,109,110,111,114,115,116,117,118,128,129,131,132,138,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00074 54,72,82,89,90,99,104,108,109,114,115,116,118,123,126,128,129,131,132,138,139,140,146,147,152,153,154,155,157,159,160,164 +0405_00075 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00076 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,128,129,139,141,145,147,149,154,157,159,160,163,164,165 +0405_00077 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00078 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00079 84,90,91,92,99,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00080 90,99,104,108,114,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00081 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00082 50,74,76,99,108,115,116,118,128,129,132,141,147,149,152,154,155,160,164 +0405_00083 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00084 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00085 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00086 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00087 84,90,91,92,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00088 84,90,91,92,99,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00089 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00090 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00091 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00092 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0405_00093 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00094 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00095 29,30,48,49,72,74,85,86,89,93,95,99,100,102,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00096 74,108,109,115,116,118,123,126,128,129,132,136,138,140,141,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00097 108,109,114,115,116,118,123,126,128,129,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00098 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 +0405_00099 29,30,48,49,72,74,85,86,89,93,95,99,100,102,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0405/0405_fingerprints_maccs_isomeric_success.tsv b/processed_data/0405/0405_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..ed4eb46fa --- /dev/null +++ b/processed_data/0405/0405_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,100 @@ +id bits.on +0405_00001 30,49,74,82,85,86,93,95,100,104,109,111,112,115,116,122,132,138,139,141,147,148,149,153,155,157,158,160,161,164 +0405_00002 30,49,74,85,86,89,93,95,100,104,108,112,115,122,123,132,139,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00003 53,54,72,82,89,90,91,104,109,128,131,132,139,140,146,152,153,154,155,157,159,164 +0405_00004 54,84,90,91,95,104,108,111,114,115,116,118,123,128,129,131,139,147,151,154,155,156,157,158,159,160,161,164 +0405_00005 54,82,90,91,95,98,100,104,111,118,121,123,129,131,137,139,147,151,153,154,156,157,158,159,161,163,164,165 +0405_00006 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0405_00007 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0405_00008 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0405_00009 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00010 38,54,65,77,79,80,83,92,95,96,97,98,105,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0405_00011 113,127,139,143,152,154,157,159,162,163,164,165 +0405_00012 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0405_00013 82,83,86,90,96,100,104,111,118,121,137,138,147,151,153,158,161,165 +0405_00014 54,74,79,82,83,90,91,92,95,96,100,104,110,111,115,117,118,121,123,131,136,137,139,142,146,147,149,151,153,154,155,156,157,158,159,160,161,164,165 +0405_00015 53,54,57,72,89,92,98,110,113,117,123,126,127,131,133,135,136,137,139,140,143,145,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0405_00016 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0405_00017 53,72,82,89,90,109,131,132,138,139,146,152,153,154,155,157,159,164 +0405_00018 23,52,57,69,75,83,84,90,91,94,95,96,97,100,104,106,109,110,111,117,120,121,122,123,124,127,132,133,137,138,142,143,147,148,150,151,153,154,156,157,158,159,161,164,165 +0405_00019 99,123,139,154,157,159,162,163,164,165 +0405_00020 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00021 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0405_00022 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0405_00023 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00024 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0405_00025 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,122,123,126,128,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00026 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00027 62,65,75,80,83,85,93,96,98,120,121,122,137,142,144,148,150,156,158,160,161,162,163,165 +0405_00028 65,98,105,121,125,137,145,156,160,161,162,163,165 +0405_00029 49,74,90,92,95,104,110,111,115,117,123,128,131,132,136,140,142,146,147,149,151,154,155,156,157,158,159,160,161,164 +0405_00030 65,83,96,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0405_00031 54,84,90,91,92,95,104,110,111,117,123,128,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00032 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00033 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00034 75,79,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,131,136,137,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0405_00035 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0405_00036 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0405_00037 25,43,65,77,79,83,84,96,105,106,120,121,125,131,133,135,137,142,145,151,152,154,156,158,161,162,163,164,165 +0405_00038 54,79,84,90,92,95,104,110,111,117,123,125,131,136,139,142,145,146,151,154,155,156,157,158,159,161,162,163,164,165 +0405_00039 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00040 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0405_00041 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00042 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0405_00043 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0405_00044 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00045 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00046 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00047 54,66,72,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0405_00048 34,45,50,53,65,76,78,80,83,90,91,92,96,99,104,108,110,116,117,118,119,120,121,123,127,131,132,136,137,139,140,141,142,143,144,146,147,149,150,151,154,155,156,157,158,159,160,161,162,164,165 +0405_00049 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00050 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0405_00051 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00052 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00053 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0405_00054 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00055 29,43,48,54,69,84,89,90,91,95,99,102,104,106,108,109,111,112,114,115,116,118,124,126,128,129,130,131,139,140,146,147,148,151,152,153,155,156,157,158,159,160,161,164 +0405_00056 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00057 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0405_00058 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00059 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00060 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0405_00061 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00062 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00063 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00064 29,30,48,49,72,74,85,86,89,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0405_00065 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00066 29,30,48,49,72,74,85,86,89,91,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0405_00067 109,114,115,116,118,123,126,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00068 29,30,48,49,72,74,85,86,89,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00069 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00070 54,82,90,91,92,95,100,104,108,109,110,111,114,115,116,117,118,128,129,131,132,138,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00071 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00072 84,90,91,92,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00073 54,82,90,91,92,95,99,100,104,108,109,110,111,114,115,116,117,118,128,129,131,132,138,139,147,151,153,154,155,156,157,158,159,160,161,164 +0405_00074 54,72,82,89,90,99,104,108,109,114,115,116,118,123,126,128,129,131,132,138,139,140,146,147,152,153,154,155,157,159,160,164 +0405_00075 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00076 26,50,66,74,76,90,91,99,105,108,112,115,116,118,123,128,129,139,141,145,147,149,154,157,159,160,163,164,165 +0405_00077 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00078 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00079 84,90,91,92,99,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00080 90,99,104,108,114,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00081 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00082 50,74,76,99,108,115,116,118,128,129,132,141,147,149,152,154,155,160,164 +0405_00083 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00084 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00085 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00086 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00087 84,90,91,92,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00088 84,90,91,92,99,104,108,110,111,114,115,116,117,118,128,129,132,147,151,154,155,156,158,160,161,164 +0405_00089 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00090 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00091 30,49,74,85,86,89,91,93,95,99,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00092 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0405_00093 30,49,74,85,86,89,91,93,95,100,104,108,112,114,115,116,118,122,123,126,128,129,132,136,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00094 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0405_00095 29,30,48,49,72,74,85,86,89,93,95,99,100,102,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0405_00096 74,108,109,115,116,118,123,126,128,129,132,136,138,140,141,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00097 108,109,114,115,116,118,123,126,128,129,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0405_00098 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 +0405_00099 29,30,48,49,72,74,85,86,89,93,95,99,100,102,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0405/0405_fingerprints_pubchem_canonical_success.tsv b/processed_data/0405/0405_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..d9d12bf0d --- /dev/null +++ b/processed_data/0405/0405_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,100 @@ +id bits.on +0405_00001 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0405_00002 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0405_00003 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,421,437,444,449,536,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,693,694,706 +0405_00004 10,11,12,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0405_00005 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0405_00006 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0405_00007 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0405_00008 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0405_00009 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0405_00010 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0405_00011 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0405_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0405_00013 10,11,15,144,146,147,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,614,644,657 +0405_00014 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,696,709,710 +0405_00015 10,11,12,15,19,20,21,22,179,180,182,186,256,284,285,286,287,300,309,333,340,341,342,345,347,348,352,353,356,367,368,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,618,619,620,621,627,629,633,634,635,638,640,641,642,643,644,646,652,656,657,658,661,662,663,664,665,666,667,669,678,679,680,681,682,683,684,685,687,690,691,693,694,701,702,706,722,785 +0405_00016 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0405_00017 10,19,20,284,285,287,309,333,342,345,347,353,367,407,421,433,444,463,538,572,618,640 +0405_00018 10,15,16,19,20,144,146,147,284,285,286,287,300,301,345,346,347,352,353,366,367,381,391,399,406,421,452,453,516,519,523,541,567,613,616,646,647,660 +0405_00019 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0405_00020 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0405_00021 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0405_00022 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0405_00023 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0405_00024 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0405_00025 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,593,614,615,616,618,638,640,643,660,683,686 +0405_00026 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0405_00027 10,11,12,15,16,144,146,147,179,181,182,256,257,258,259,284,285,286,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,385,388,391,392,397,398,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0405_00028 10,11,12,15,179,180,181,182,186,256,257,258,284,285,286,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,397,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0405_00029 10,11,12,15,16,19,20,21,284,285,286,287,300,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703,709,710 +0405_00030 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0405_00031 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0405_00032 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,681,683,685,686 +0405_00033 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0405_00034 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,692,693,696,697,703,705,709,710,711 +0405_00035 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0405_00036 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0405_00037 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,421,431,432,433,435,438,442,443,444,447,450,451,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0405_00038 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0405_00039 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00040 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0405_00041 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00042 10,11,12,15,16,19,20,179,181,182,186,188,189,256,257,258,259,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,397,398,404,407,417,419,421,431,432,433,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,561,565,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,596,597,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,637,638,639,641,642,643,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,705,708,709,710,711 +0405_00043 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0405_00044 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00045 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00046 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,683,686 +0405_00047 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,568,572,580,583,593,603,614,618,638,644,646,647,657,660,664,680,681,682,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,825,840,861 +0405_00048 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,375,377,381,385,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,539,540,546,550,553,554,556,557,565,571,578,579,580,583,585,586,593,596,601,604,608,609,614,618,629,634,635,638,641,644,646,657,658,661,665,666,669,672,678,679,680,681,684,685,689,690,692,693,696,699,700,703,704,705,708,709,710,711,713 +0405_00049 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689 +0405_00050 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0405_00051 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00052 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,565,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,665,679,680,681,683,685,686,689,690,693,699,705 +0405_00053 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0405_00054 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00055 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,408,412,417,426,435,442,447,457,491,517,525,529,557,567,572,574,583,600,618,620,638,640,641,644,661,668,679,680,689,697 +0405_00056 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,683,686,689,697 +0405_00057 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0405_00058 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00059 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00060 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0405_00061 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00062 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0405_00063 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,565,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,665,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00064 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,406,407,408,412,417,426,435,442,447,457,491,517,525,541,557,567,568,572,583,600,615,638,640,641,660,661,663,664,679,680,681,689,690,697,699 +0405_00065 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00066 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,406,407,408,412,426,457,541,567,568,572,583,615,638,640,660,663,664,680,681,689,690,697,699 +0405_00067 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0405_00068 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,572,580,583,600,615,638,640,641,660,661,663,664,679,680,681,685,689,690,693,697,699,705 +0405_00069 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00070 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,347,352,353,366,367,375,391,393,394,407,421,440,444,452,529,536,541,567,572,580,583,593,614,644,646,647,657,660,680,684,685,689,693,697,705 +0405_00071 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0405_00072 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0405_00073 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,347,352,353,366,367,375,391,393,394,407,417,421,435,440,442,444,447,452,491,517,525,529,536,541,557,567,572,580,583,593,600,614,641,644,646,647,657,660,661,679,680,684,685,689,693,697,705 +0405_00074 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0405_00075 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00076 10,11,12,13,19,20,179,180,183,186,190,193,284,285,287,309,333,334,335,336,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,565,580,583,600,618,638,641,661,665,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,798,819 +0405_00077 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00078 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00079 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,641,644,661,679,680,684,685,689,693,697,705 +0405_00080 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,600,618,638,641,661,679 +0405_00081 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685 +0405_00082 10,11,12,13,19,284,285,287,333,334,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,557,580,583,600,641,661,679 +0405_00083 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00084 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,681,685 +0405_00085 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00086 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0405_00087 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0405_00088 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,641,644,661,679,680,684,685,689,693,697,705 +0405_00089 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00090 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00091 10,11,12,13,14,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00092 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0405_00093 10,11,12,13,14,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00094 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00095 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,580,583,600,615,638,640,641,660,661,663,679,680,681,685,689,690,693,697,699,705 +0405_00096 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,336,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713,756,819 +0405_00097 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0405_00098 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0405_00099 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,580,583,600,615,638,640,641,660,661,663,679,680,681,685,689,697 diff --git a/processed_data/0405/0405_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0405/0405_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..d9d12bf0d --- /dev/null +++ b/processed_data/0405/0405_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,100 @@ +id bits.on +0405_00001 10,11,15,19,284,285,286,287,309,345,346,347,352,353,366,367,375,391,392,407,541,567,572,660 +0405_00002 10,11,15,19,20,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,407,421,441,444,453,536,541,567,572,580,582,593,614,618,638,640,643,660,683,686 +0405_00003 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,421,437,444,449,536,568,572,580,582,583,618,638,640,643,664,680,681,682,685,687,690,693,694,706 +0405_00004 10,11,12,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0405_00005 10,11,15,19,20,179,181,182,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,680,681,684,685,690,693 +0405_00006 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0405_00007 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0405_00008 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0405_00009 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0405_00010 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0405_00011 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,694,705,706,709,710,711,715,778 +0405_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0405_00013 10,11,15,144,146,147,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,614,644,657 +0405_00014 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,696,709,710 +0405_00015 10,11,12,15,19,20,21,22,179,180,182,186,256,284,285,286,287,300,309,333,340,341,342,345,347,348,352,353,356,367,368,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,618,619,620,621,627,629,633,634,635,638,640,641,642,643,644,646,652,656,657,658,661,662,663,664,665,666,667,669,678,679,680,681,682,683,684,685,687,690,691,693,694,701,702,706,722,785 +0405_00016 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0405_00017 10,19,20,284,285,287,309,333,342,345,347,353,367,407,421,433,444,463,538,572,618,640 +0405_00018 10,15,16,19,20,144,146,147,284,285,286,287,300,301,345,346,347,352,353,366,367,381,391,399,406,421,452,453,516,519,523,541,567,613,616,646,647,660 +0405_00019 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,553,554,557,565,571,574,579,583,585,596,600,604,609,619,620,635,641,661,665,668,669,672,673,678,679,680,689,709,710,711 +0405_00020 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0405_00021 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0405_00022 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0405_00023 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0405_00024 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0405_00025 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,593,614,615,616,618,638,640,643,660,683,686 +0405_00026 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0405_00027 10,11,12,15,16,144,146,147,179,181,182,256,257,258,259,284,285,286,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,385,388,391,392,397,398,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0405_00028 10,11,12,15,179,180,181,182,186,256,257,258,284,285,286,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,397,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0405_00029 10,11,12,15,16,19,20,21,284,285,286,287,300,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703,709,710 +0405_00030 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,699,700,703,709,710,711,722,736,759,785,799,822 +0405_00031 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,686,689,692,693,694,695,696,697,705,709,710,711 +0405_00032 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,681,683,685,686 +0405_00033 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0405_00034 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,692,693,696,697,703,705,709,710,711 +0405_00035 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0405_00036 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0405_00037 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,421,431,432,433,435,438,442,443,444,447,450,451,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0405_00038 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0405_00039 10,11,12,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00040 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0405_00041 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00042 10,11,12,15,16,19,20,179,181,182,186,188,189,256,257,258,259,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,397,398,404,407,417,419,421,431,432,433,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,561,565,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,596,597,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,637,638,639,641,642,643,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,705,708,709,710,711 +0405_00043 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0405_00044 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,593,600,614,615,616,618,638,640,641,643,660,661,679,683,686 +0405_00045 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00046 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,683,686 +0405_00047 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,568,572,580,583,593,603,614,618,638,644,646,647,657,660,664,680,681,682,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,825,840,861 +0405_00048 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,375,377,381,385,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,539,540,546,550,553,554,556,557,565,571,578,579,580,583,585,586,593,596,601,604,608,609,614,618,629,634,635,638,641,644,646,657,658,661,665,666,669,672,678,679,680,681,684,685,689,690,692,693,696,699,700,703,704,705,708,709,710,711,713 +0405_00049 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689 +0405_00050 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0405_00051 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00052 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,565,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,665,679,680,681,683,685,686,689,690,693,699,705 +0405_00053 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0405_00054 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00055 10,11,12,13,15,19,20,21,31,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,408,412,417,426,435,442,447,457,491,517,525,529,557,567,572,574,583,600,618,620,638,640,641,644,661,668,679,680,689,697 +0405_00056 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,683,686,689,697 +0405_00057 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0405_00058 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00059 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00060 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,557,565,568,571,572,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,682,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0405_00061 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00062 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0405_00063 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,565,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,665,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00064 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,406,407,408,412,417,426,435,442,447,457,491,517,525,541,557,567,568,572,583,600,615,638,640,641,660,661,663,664,679,680,681,689,690,697,699 +0405_00065 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00066 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,406,407,408,412,426,457,541,567,568,572,583,615,638,640,660,663,664,680,681,689,690,697,699 +0405_00067 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0405_00068 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,572,580,583,600,615,638,640,641,660,661,663,664,679,680,681,685,689,690,693,697,699,705 +0405_00069 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00070 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,347,352,353,366,367,375,391,393,394,407,421,440,444,452,529,536,541,567,572,580,583,593,614,644,646,647,657,660,680,684,685,689,693,697,705 +0405_00071 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0405_00072 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0405_00073 10,11,12,13,15,19,20,284,285,286,287,300,309,333,345,346,347,352,353,366,367,375,391,393,394,407,417,421,435,440,442,444,447,452,491,517,525,529,536,541,557,567,572,580,583,593,600,614,641,644,646,647,657,660,661,679,680,684,685,689,693,697,705 +0405_00074 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,536,557,568,572,580,583,600,615,618,638,640,641,661,663,664,679,680,681,685,689,690,693,697,699,705 +0405_00075 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00076 10,11,12,13,19,20,179,180,183,186,190,193,284,285,287,309,333,334,335,336,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,565,580,583,600,618,638,641,661,665,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,798,819 +0405_00077 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00078 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00079 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,641,644,661,679,680,684,685,689,693,697,705 +0405_00080 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,600,618,638,641,661,679 +0405_00081 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685 +0405_00082 10,11,12,13,19,284,285,287,333,334,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,557,580,583,600,641,661,679 +0405_00083 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00084 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,681,685 +0405_00085 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00086 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0405_00087 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,421,440,444,452,536,580,583,593,644,680,684,685,689,693,697,705 +0405_00088 10,11,12,13,15,19,284,285,286,287,300,333,345,352,353,375,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,641,644,661,679,680,684,685,689,693,697,705 +0405_00089 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00090 10,11,12,13,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00091 10,11,12,13,14,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,417,421,435,441,442,444,447,453,491,517,525,536,541,557,567,580,582,583,593,600,614,615,616,618,638,640,641,643,660,661,679,680,681,683,685,686,689,690,693,697,699,705 +0405_00092 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0405_00093 10,11,12,13,14,15,19,20,21,284,285,286,287,309,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,441,444,453,536,541,567,580,582,583,593,614,615,616,618,638,640,643,660,680,681,683,685,686,689,690,693,697,699,705 +0405_00094 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0405_00095 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,580,583,600,615,638,640,641,660,661,663,679,680,681,685,689,690,693,697,699,705 +0405_00096 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,336,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713,756,819 +0405_00097 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0405_00098 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0405_00099 10,11,12,13,14,15,19,20,21,22,31,284,285,286,287,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,580,583,600,615,638,640,641,660,661,663,679,680,681,685,689,697 diff --git a/processed_data/0405/0405_gradient.tsv b/processed_data/0405/0405_gradient.tsv new file mode 100644 index 000000000..90c2f9b95 --- /dev/null +++ b/processed_data/0405/0405_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.35 95 5 +1 0.35 95 5 +24 0.35 0 100 +28 0.35 0 100 diff --git a/processed_data/0405/0405_info.tsv b/processed_data/0405/0405_info.tsv new file mode 100644 index 000000000..cc63a9e9f --- /dev/null +++ b/processed_data/0405/0405_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0405 10.1038/s41596-020-0341-5 Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu ROASMI_51 diff --git a/processed_data/0405/0405_metadata.tsv b/processed_data/0405/0405_metadata.tsv new file mode 100644 index 000000000..665387e73 --- /dev/null +++ b/processed_data/0405/0405_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0405 Waters ACQUITY UPLC BEH C8 L7 100 2.1 1.7 50 0.35 0.63 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 0 100 0 0 diff --git a/processed_data/0405/0405_report_canonical.pdf b/processed_data/0405/0405_report_canonical.pdf new file mode 100644 index 000000000..e760a1e9a Binary files /dev/null and b/processed_data/0405/0405_report_canonical.pdf differ diff --git a/processed_data/0405/0405_report_isomeric.pdf b/processed_data/0405/0405_report_isomeric.pdf new file mode 100644 index 000000000..2ca691840 Binary files /dev/null and b/processed_data/0405/0405_report_isomeric.pdf differ diff --git a/processed_data/0405/0405_rtdata_canonical_success.tsv b/processed_data/0405/0405_rtdata_canonical_success.tsv new file mode 100644 index 000000000..6bed341eb --- /dev/null +++ b/processed_data/0405/0405_rtdata_canonical_success.tsv @@ -0,0 +1,100 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0405_00001 C5H14NO 0.75 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0405_00002 C7H15NO3 0.766666667 C[N+](C)(C)CC(CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 PHIQHXFUZVPYII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0405_00003 C6H12O5 0.783333333 C(C=O)C(C(C(CO)O)O)O InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2 VRYALKFFQXWPIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) NA (NA) NA (NA) +0405_00004 C8H17NO2 0.8 CCCCCCC(C(=O)O)N InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11) AKVBCGQVQXPRLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00005 C6H11NO2 0.816666667 C1CCNC(C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) HXEACLLIILLPRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00006 C5H9NO2 0.9 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00007 C11H15N5O4 1 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0405_00008 C10H12N2O 1.016666667 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0405_00009 C5H11NO2S 1.016666667 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00010 C5H4N4O 1.016666667 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0405_00011 C7H6O2 1.033333333 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0405_00012 C9H11NO3 1.033333333 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00013 C4H9N 1.033333333 C1CCNC1 InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 RWRDLPDLKQPQOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) NA (NA) NA (NA) NA (NA) +0405_00014 C11H20N2O3 1.116666667 CC(C)CC(C(=O)O)NC(=O)C1CCCN1 InChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16) ZKQOUHVVXABNDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00015 C14H17NO8 1.216666667 CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21) IPROLSVTVHAQLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0405_00016 C10H12N2O3 1.533333333 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0405_00017 C3H6O3 1.6 C(C(=O)CO)O InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 RXKJFZQQPQGTFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0405_00018 C3H6N2O2 1.6 C1COC(=O)N1N InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2 KYCJNIUHWNJNCT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Oxazolidines (CHEMONTID:0000108) Oxazolidinones (CHEMONTID:0000196) NA (NA) +0405_00019 C9H8O2 1.6 C1=CC=C(C=C1)C=CC(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11) WBYWAXJHAXSJNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0405_00020 C9H11NO2 1.633333333 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00021 C9H17NO5 1.916666667 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0405_00022 C8H9NO2 1.983333333 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0405_00023 C14H22N2O3 2.033333333 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0405_00024 C7H8N4O2 2.283333333 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0405_00025 C11H22NO4 2.283333333 CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/p+1 QWYFHHGCZUCMBN-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00026 C11H12N2O2 2.466666667 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00027 C10H10N2 2.466666667 CN1C=CC=C1C2=CN=CC=C2 InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3 RYFOJXFXERAMLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) NA (NA) NA (NA) NA (NA) +0405_00028 C10H9N 2.466666667 CC1=CC2=CC=CC=C2N=C1 InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3 DTBDAFLSBDGPEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) NA (NA) NA (NA) NA (NA) +0405_00029 C11H19N2O5 3.05 CC(C)CC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/p-1 MYFMARDICOWMQP-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00030 C8H7NO 3.233333333 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0405_00031 C13H16N2O4 3.666666667 C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19) JFLIEFSWGNOPJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00032 C12H24NO4 3.7 CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/p+1 VSNFQQXVMPSASB-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0405_00033 C17H20N4O6 3.85 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0405_00034 C14H18N2O3 4.183333333 C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)O InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19) WEQJQNWXCSUVMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00035 C7H6O3 4.466666667 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0405_00036 C11H11NO3 5.166666667 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00037 C14H11N3O 5.283333333 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17) GPMHHSJZGVOEFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0405_00038 C18H20N2O3 5.35 C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23) GKZIWHRNKRBEOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00039 C15H28NO4 6.8 CCCC=CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h7-8,13H,5-6,9-12H2,1-4H3/p+1 YAZIZQKDCOMBCP-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00040 C11H11NO2 7.333333333 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00041 C16H30NO4 7.65 CCCCC=CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C16H29NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h8-9,14H,5-7,10-13H2,1-4H3/p+1 YWRHWMGIEXGIKF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00042 C12H12N2O3 7.7 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0405_00043 C21H30O5 7.766666667 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0405_00044 C17H30NO4 8.583333333 CCC=CCC=CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h6-7,9-10,15H,5,8,11-14H2,1-4H3/p+1 RFFDJZQBHPFTBX-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00045 C16H32NO4 8.616666667 CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3/p+1 MPSPNFAQQQMFLK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00046 C17H32NO4 9.35 CCCCCC=CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3/p+1 OQWOHRPOYAVIOK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00047 C26H43NO6 9.966666667 CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31) ZQYUKJFJPJDMMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0405_00048 C33H34N4O6 10.65 CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41) RCNSAJSGRJSBKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Bilirubins (CHEMONTID:0001593) NA (NA) NA (NA) +0405_00049 C19H36NO4 11.45 CCCCCCC=CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h10-11,17H,5-9,12-16H2,1-4H3/p+1 PETYOUXDCHQKTQ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00050 C26H43NO5 11.76666667 CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32) WVULKSPCQVQLCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0405_00051 C20H38NO4 11.81666667 CCCCC=CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C20H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4/h8-9,18H,5-7,10-17H2,1-4H3/p+1 UAPXOSVJNDUCJO-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00052 C21H38NO4 11.86666667 CCCCC=CC=CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-11,19H,5-7,12-18H2,1-4H3/p+1 PVWHKAOMCLSWPF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00053 C18H39NO2 12.6 CCCCCCCCCCCCCCCC(C(CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 OTKJDMGTUTTYMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0405_00054 C21H40NO4 12.68333333 CCCCC=CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-9,19H,5-7,10-18H2,1-4H3/p+1 ABVVZYXTZLEOHP-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00055 C18H38NO5P 13 CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23) DUYSYHSSBDVJSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Sphingolipids (CHEMONTID:0000257) Phosphosphingolipids (CHEMONTID:0003392) NA (NA) NA (NA) +0405_00056 C23H42NO4 13.15 CCCCCCCCC=CCC=CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h12-13,15-16,21H,5-11,14,17-20H2,1-4H3/p+1 DPIJSJWXUXNTJD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00057 C24H40O4 13.31666667 CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28) KXGVEGMKQFWNSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0405_00058 C21H42NO4 13.35 CCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/p+1 PSHXNVGSVNEJBD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00059 C22H44NO4 13.85 CCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/p+1 MDDWQHVKSHTZTD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00060 C8H8O5 13.86666667 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0405_00061 C23H44NO4 13.86666667 CCCCCCCCC=CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h12-13,21H,5-11,14-20H2,1-4H3/p+1 NRCCZFJHTDUMBS-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00062 C24H50NO7P 14.28333333 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3 ASWBNKHCZGQVJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00063 C25H46NO4 14.36666667 CCCCCC=CC=CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-12,23H,5-8,13-22H2,1-4H3/p+1 HQMPRWWWVKTZAS-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00064 C26H54NO6P 14.4 CCCCCCC=CCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h10-11,26,28H,5-9,12-25H2,1-4H3 HEEMBWYZIJABCR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Monoalkylglycerophosphocholines (CHEMONTID:0001414) NA (NA) +0405_00065 C25H48NO4 15.16666667 CCCCCCC=CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h10-11,23H,5-9,12-22H2,1-4H3/p+1 HOAMADDCQBUDDY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00066 C26H56NO6P 15.31666667 CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3 XKBJVQHMEXMFDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Monoalkylglycerophosphocholines (CHEMONTID:0001414) NA (NA) +0405_00067 C16H22O4 15.66666667 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 DOIRQSBPFJWKBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00068 C28H52NO7P 15.88333333 CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,27,30H,5-8,11,14,17-26H2,1-4H3 BBNHCUBQEQJHIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00069 C27H52NO4 16.28333333 CCCCCCCCC=CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/p+1 PVOQPLSKYNZHOT-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00070 C18H37NO2 16.33333333 CCCCCCCCCCCCCCCC(=O)NCCO InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21) HXYVTAGFYLMHSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0405_00071 C27H56NO7P 16.75 CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C27H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h26,29H,5-25H2,1-4H3 WYIMORDZGCUBAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00072 C16H33NO 16.91666667 CCCCCCCCCCCCCCCC(=O)N InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) HSEMFIZWXHQJAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00073 C20H39NO2 16.91666667 CCCCCCCCC=CCCCCCCCC(=O)NCCO InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23) BOWVQLFMWHZBEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0405_00074 C21H38O4 16.96666667 CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3 WECGLUPZRHILCT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0405_00075 C18H30O2 17.05 CCC=CCC=CCC=CCCCCCCCC(=O)O InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20) DTOSIQBPPRVQHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0405_00076 C20H30O2 17.06666667 CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22) RSWGJHLUYNHPMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) NA (NA) NA (NA) +0405_00077 C27H54NO4 17.1 CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3/p+1 SVJLJQBGUITFLI-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0405_00078 C16H30O2 17.38333333 CCCCCCC=CCCCCCCCC(=O)O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18) SECPZKHBENQXJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00079 C18H35NO 17.45 CCCCCCCCC=CCCCCCCCC(=O)N InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20) FATBGEAMYMYZAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00080 C22H32O2 17.78333333 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24) MBMBGCFOFBJSGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0405_00081 C20H32O2 17.88333333 CCCCCC=CCC=CCC=CCC=CCCCC(=O)O InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22) YZXBAPSDXZZRGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00082 C18H30O 17.91666667 CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3 LTUMRKDLVGQMJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Acyclic diterpenoids (CHEMONTID:0001357) NA (NA) +0405_00083 C29H58NO4 18.11666667 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3/p+1 IUMXSSOVGPXXJL-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00084 C20H30O2 18.13333333 CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22) JAZBEHYOTPTENJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00085 C20H34O2 18.41666667 CCCCCC=CCC=CCC=CCCCCCCC(=O)O InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22) HOBAELRKJCKHQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00086 C16H32O2 18.45 CCCCCCCCCCCCCCCC(=O)O InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) IPCSVZSSVZVIGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00087 C18H37NO 18.45 CCCCCCCCCCCCCCCCCC(=O)N InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20) LYRFLYHAGKPMFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0405_00088 C22H43NO 18.78333333 CCCCCCCCC=CCCCCCCCCCCCC(=O)N InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24) UAUDZVJPLUQNMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00089 C18H34O2 18.85 CCCCCCC=CCCCCCCCCCC(=O)O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20) UWHZIFQPPBDJPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00090 C31H62NO4 19.03333333 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C31H61NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h29H,5-28H2,1-4H3/p+1 YDUFZFUYBBPVLJ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00091 C33H64NO4 19.13333333 CCCCCCCCCCCCCCC=CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C33H63NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h18-19,31H,5-17,20-30H2,1-4H3/p+1 HDCKEMMZMZBAHM-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00092 C27H44O2 19.35 CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3 YIKKMWSQVKJCOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0405_00093 C33H66NO4 19.83333333 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3/p+1 KOCKWDDTAHPJSX-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00094 C20H38O2 20.1 CCCCCCCCC=CCCCCCCCCCC(=O)O InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22) BITHHVVYSMSWAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00095 C42H78NO8P 20.25 CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3 VKVSSDKCKXJFIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0405_00096 C24H38O4 20.8 CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 IJFPVINAQGWBRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00097 C24H38O4 21.36666667 CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 MQIUGAXCHLFZKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00098 C27H44O 21.75 CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3 NYOXRYYXRWJDKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0405_00099 C48H80NO8P 21.96666667 CCCCCCCCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,32-35,46H,6-7,9,11-13,15,17-19,24-25,30-31,36-45H2,1-5H3 SIMZOWLEIOYZJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) diff --git a/processed_data/0405/0405_rtdata_isomeric_success.tsv b/processed_data/0405/0405_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..3f1b9ec27 --- /dev/null +++ b/processed_data/0405/0405_rtdata_isomeric_success.tsv @@ -0,0 +1,100 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0405_00001 C5H14NO 0.75 C[N+](C)(C)CCO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) NA (NA) +0405_00002 C7H15NO3 0.766666667 C[N+](C)(C)C[C@@H](CC(=O)[O-])O InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 PHIQHXFUZVPYII-ZCFIWIBFSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Carnitines (CHEMONTID:0001609) NA (NA) +0405_00003 C6H12O5 0.783333333 C(C=O)[C@H]([C@H]([C@@H](CO)O)O)O InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1 VRYALKFFQXWPIH-HSUXUTPPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) NA (NA) NA (NA) +0405_00004 C8H17NO2 0.8 CCCCCCC(C(=O)O)N InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11) AKVBCGQVQXPRLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00005 C6H11NO2 0.816666667 C1CCN[C@H](C1)C(=O)O InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 HXEACLLIILLPRG-RXMQYKEDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00006 C5H9NO2 0.9 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00007 C11H15N5O4 1 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0405_00008 C10H12N2O 1.016666667 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0405_00009 C5H11NO2S 1.016666667 CSCC[C@H](C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 FFEARJCKVFRZRR-SCSAIBSYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00010 C5H4N4O 1.016666667 C1=NC2=C(N1)C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) FDGQSTZJBFJUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0405_00011 C7H6O2 1.033333333 C1=CC(=CC=C1C=O)O InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0405_00012 C9H11NO3 1.033333333 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00013 C4H9N 1.033333333 C1CCNC1 InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2 RWRDLPDLKQPQOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) NA (NA) NA (NA) NA (NA) +0405_00014 C11H20N2O3 1.116666667 CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1 InChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 ZKQOUHVVXABNDG-IUCAKERBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00015 C14H17NO8 1.216666667 CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 IPROLSVTVHAQLE-BYNIDDHOSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0405_00016 C10H12N2O3 1.533333333 C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 YGPSJZOEDVAXAB-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0405_00017 C3H6O3 1.6 C(C(=O)CO)O InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2 RXKJFZQQPQGTFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) NA (NA) +0405_00018 C3H6N2O2 1.6 C1COC(=O)N1N InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2 KYCJNIUHWNJNCT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Oxazolidines (CHEMONTID:0000108) Oxazolidinones (CHEMONTID:0000196) NA (NA) +0405_00019 C9H8O2 1.6 C1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ WBYWAXJHAXSJNI-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0405_00020 C9H11NO2 1.633333333 C1=CC=C(C=C1)C[C@@H](C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 COLNVLDHVKWLRT-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00021 C9H17NO5 1.916666667 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) +0405_00022 C8H9NO2 1.983333333 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0405_00023 C14H22N2O3 2.033333333 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0405_00024 C7H8N4O2 2.283333333 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0405_00025 C11H22NO4 2.283333333 CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/p+1 QWYFHHGCZUCMBN-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00026 C11H12N2O2 2.466666667 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00027 C10H10N2 2.466666667 CN1C=CC=C1C2=CN=CC=C2 InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3 RYFOJXFXERAMLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) NA (NA) NA (NA) NA (NA) +0405_00028 C10H9N 2.466666667 CC1=CC2=CC=CC=C2N=C1 InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3 DTBDAFLSBDGPEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) NA (NA) NA (NA) NA (NA) +0405_00029 C11H19N2O5 3.05 CC(C)C[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/p-1/t7-,8-/m0/s1 MYFMARDICOWMQP-YUMQZZPRSA-M Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00030 C8H7NO 3.233333333 C1=CC2=C(C=CN2)C=C1O InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H LMIQERWZRIFWNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0405_00031 C13H16N2O4 3.666666667 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 JFLIEFSWGNOPJJ-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0405_00032 C12H24NO4 3.7 CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/p+1 VSNFQQXVMPSASB-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0405_00033 C17H20N4O6 3.85 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0405_00034 C14H18N2O3 4.183333333 C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)O InChI=1S/C14H18N2O3/c15-11(9-10-5-2-1-3-6-10)13(17)16-8-4-7-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12-/m0/s1 WEQJQNWXCSUVMA-RYUDHWBXSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00035 C7H6O3 4.466666667 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0405_00036 C11H11NO3 5.166666667 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00037 C14H11N3O 5.283333333 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17) GPMHHSJZGVOEFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0405_00038 C18H20N2O3 5.35 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1 GKZIWHRNKRBEOH-HOTGVXAUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0405_00039 C15H28NO4 6.8 CCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h7-8,13H,5-6,9-12H2,1-4H3/p+1/b8-7+ YAZIZQKDCOMBCP-BQYQJAHWSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00040 C11H11NO2 7.333333333 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0405_00041 C16H30NO4 7.65 CCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C16H29NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h8-9,14H,5-7,10-13H2,1-4H3/p+1/b9-8+ YWRHWMGIEXGIKF-CMDGGOBGSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00042 C12H12N2O3 7.7 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0405_00043 C21H30O5 7.766666667 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0405_00044 C17H30NO4 8.583333333 CC/C=C/C/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h6-7,9-10,15H,5,8,11-14H2,1-4H3/p+1/b7-6+,10-9+ RFFDJZQBHPFTBX-AVQMFFATSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00045 C16H32NO4 8.616666667 CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3/p+1 MPSPNFAQQQMFLK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00046 C17H32NO4 9.35 CCCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3/p+1/b10-9+ OQWOHRPOYAVIOK-MDZDMXLPSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00047 C26H43NO6 9.966666667 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1 ZQYUKJFJPJDMMR-ZDWCHQGWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0405_00048 C33H34N4O6 10.65 CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13?,27-14-,28-15- RCNSAJSGRJSBKK-LJMVIHTPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Bilirubins (CHEMONTID:0001593) NA (NA) NA (NA) +0405_00049 C19H36NO4 11.45 CCCCCC/C=C/CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h10-11,17H,5-9,12-16H2,1-4H3/p+1/b11-10+ PETYOUXDCHQKTQ-ZHACJKMWSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00050 C26H43NO5 11.76666667 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1 WVULKSPCQVQLCU-BUXLTGKBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0405_00051 C20H38NO4 11.81666667 CCCC/C=C/CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C20H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4/h8-9,18H,5-7,10-17H2,1-4H3/p+1/b9-8+ UAPXOSVJNDUCJO-CMDGGOBGSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00052 C21H38NO4 11.86666667 CCCC/C=C/C=C/CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-11,19H,5-7,12-18H2,1-4H3/p+1/b9-8+,11-10+ PVWHKAOMCLSWPF-BNFZFUHLSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00053 C18H39NO2 12.6 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0405_00054 C21H40NO4 12.68333333 CCCC/C=C/CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-9,19H,5-7,10-18H2,1-4H3/p+1/b9-8+ ABVVZYXTZLEOHP-CMDGGOBGSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00055 C18H38NO5P 13 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 DUYSYHSSBDVJSM-KRWOKUGFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Sphingolipids (CHEMONTID:0000257) Phosphosphingolipids (CHEMONTID:0003392) NA (NA) NA (NA) +0405_00056 C23H42NO4 13.15 CCCCCCCC/C=C\C/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h12-13,15-16,21H,5-11,14,17-20H2,1-4H3/p+1/b13-12-,16-15+ DPIJSJWXUXNTJD-OFXORYEXSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00057 C24H40O4 13.31666667 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 KXGVEGMKQFWNSR-LLQZFEROSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0405_00058 C21H42NO4 13.35 CCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/p+1 PSHXNVGSVNEJBD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00059 C22H44NO4 13.85 CCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/p+1 MDDWQHVKSHTZTD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00060 C8H8O5 13.86666667 C1=CC(=C(C=C1C(C(=O)O)O)O)O InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13) RGHMISIYKIHAJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) NA (NA) +0405_00061 C23H44NO4 13.86666667 CCCCCCCC/C=C\CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h12-13,21H,5-11,14-20H2,1-4H3/p+1/b13-12- NRCCZFJHTDUMBS-SEYXRHQNSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00062 C24H50NO7P 14.28333333 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m0/s1 ASWBNKHCZGQVJV-QHCPKHFHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00063 C25H46NO4 14.36666667 CCCCC/C=C/C=C/CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-12,23H,5-8,13-22H2,1-4H3/p+1/b10-9+,12-11+ HQMPRWWWVKTZAS-HULFFUFUSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00064 C26H54NO6P 14.4 CCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h10-11,26,28H,5-9,12-25H2,1-4H3/b11-10-/t26-/m1/s1 HEEMBWYZIJABCR-ZXAYODBVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Monoalkylglycerophosphocholines (CHEMONTID:0001414) NA (NA) +0405_00065 C25H48NO4 15.16666667 CCCCCC/C=C\CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h10-11,23H,5-9,12-22H2,1-4H3/p+1/b11-10- HOAMADDCQBUDDY-KHPPLWFESA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00066 C26H56NO6P 15.31666667 CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/t26-/m1/s1 XKBJVQHMEXMFDZ-AREMUKBSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Monoalkylglycerophosphocholines (CHEMONTID:0001414) NA (NA) +0405_00067 C16H22O4 15.66666667 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 DOIRQSBPFJWKBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00068 C28H52NO7P 15.88333333 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,27,30H,5-8,11,14,17-26H2,1-4H3/b10-9-,13-12-,16-15-/t27-/m1/s1 BBNHCUBQEQJHIG-FZZJNMCHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00069 C27H52NO4 16.28333333 CCCCCCCC/C=C/CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/p+1/b13-12+ PVOQPLSKYNZHOT-OUKQBFOZSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00070 C18H37NO2 16.33333333 CCCCCCCCCCCCCCCC(=O)NCCO InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21) HXYVTAGFYLMHSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0405_00071 C27H56NO7P 16.75 CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C27H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h26,29H,5-25H2,1-4H3 WYIMORDZGCUBAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0405_00072 C16H33NO 16.91666667 CCCCCCCCCCCCCCCC(=O)N InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) HSEMFIZWXHQJAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00073 C20H39NO2 16.91666667 CCCCCCCC/C=C\CCCCCCCC(=O)NCCO InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- BOWVQLFMWHZBEF-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0405_00074 C21H38O4 16.96666667 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9- WECGLUPZRHILCT-HZJYTTRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0405_00075 C18H30O2 17.05 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- DTOSIQBPPRVQHS-PDBXOOCHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0405_00076 C20H30O2 17.06666667 CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 RSWGJHLUYNHPMX-ONCXSQPRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) NA (NA) NA (NA) +0405_00077 C27H54NO4 17.1 CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3/p+1 SVJLJQBGUITFLI-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0405_00078 C16H30O2 17.38333333 CCCCCC/C=C\CCCCCCCC(=O)O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- SECPZKHBENQXJG-FPLPWBNLSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00079 C18H35NO 17.45 CCCCCCCC/C=C\CCCCCCCC(=O)N InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9- FATBGEAMYMYZAF-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00080 C22H32O2 17.78333333 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- MBMBGCFOFBJSGT-KUBAVDMBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0405_00081 C20H32O2 17.88333333 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- YZXBAPSDXZZRGB-DOFZRALJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00082 C18H30O 17.91666667 CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+ LTUMRKDLVGQMJU-IUBLYSDUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Acyclic diterpenoids (CHEMONTID:0001357) NA (NA) +0405_00083 C29H58NO4 18.11666667 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3/p+1 IUMXSSOVGPXXJL-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00084 C20H30O2 18.13333333 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- JAZBEHYOTPTENJ-JLNKQSITSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00085 C20H34O2 18.41666667 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12- HOBAELRKJCKHQD-QNEBEIHSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00086 C16H32O2 18.45 CCCCCCCCCCCCCCCC(=O)O InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) IPCSVZSSVZVIGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00087 C18H37NO 18.45 CCCCCCCCCCCCCCCCCC(=O)N InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20) LYRFLYHAGKPMFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) Carboximidic acids (CHEMONTID:0002484) NA (NA) NA (NA) +0405_00088 C22H43NO 18.78333333 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- UAUDZVJPLUQNMU-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) NA (NA) NA (NA) +0405_00089 C18H34O2 18.85 CCCCCC/C=C/CCCCCCCCCC(=O)O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ UWHZIFQPPBDJPM-BQYQJAHWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00090 C31H62NO4 19.03333333 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C31H61NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h29H,5-28H2,1-4H3/p+1 YDUFZFUYBBPVLJ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00091 C33H64NO4 19.13333333 CCCCCCCCCCCCCC/C=C/CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C33H63NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h18-19,31H,5-17,20-30H2,1-4H3/p+1/b19-18+ HDCKEMMZMZBAHM-VHEBQXMUSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0405_00092 C27H44O2 19.35 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 YIKKMWSQVKJCOP-ABXCMAEBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0405_00093 C33H66NO4 19.83333333 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3/p+1 KOCKWDDTAHPJSX-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0405_00094 C20H38O2 20.1 CCCCCCCC/C=C/CCCCCCCCCC(=O)O InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9+ BITHHVVYSMSWAG-MDZDMXLPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0405_00095 C42H78NO8P 20.25 CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C InChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/b16-14-,20-19-,23-22-/t40-/m1/s1 VKVSSDKCKXJFIM-AFYHZPHLSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0405_00096 C24H38O4 20.8 CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 IJFPVINAQGWBRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00097 C24H38O4 21.36666667 CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 MQIUGAXCHLFZKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0405_00098 C27H44O 21.75 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 NYOXRYYXRWJDKP-GYKMGIIDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0405_00099 C48H80NO8P 21.96666667 CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26-29,32-35,46H,6-7,9,11-13,15,17-19,24-25,30-31,36-45H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1 SIMZOWLEIOYZJX-VRCXRDLJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) diff --git a/processed_data/0405/0405_validation_qspr_outliers.tsv b/processed_data/0405/0405_validation_qspr_outliers.tsv new file mode 100644 index 000000000..4d59bd1af --- /dev/null +++ b/processed_data/0405/0405_validation_qspr_outliers.tsv @@ -0,0 +1,8 @@ +id error +0405_00017 7.4806562330752655 +0405_00018 8.078168142159617 +0405_00021 4.81448191265482 +0405_00029 6.035957976607542 +0405_00033 7.15186002619301 +0405_00043 4.9616858422646315 +0405_00060 11.424566818382706 diff --git a/processed_data/0406/0406_descriptors_canonical_success.tsv b/processed_data/0406/0406_descriptors_canonical_success.tsv new file mode 100644 index 000000000..5452ab5ab --- /dev/null +++ b/processed_data/0406/0406_descriptors_canonical_success.tsv @@ -0,0 +1,36 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0406_00001 11.99624943880476 15.999992976627006 -0.38681685717416425 0.2671108816925888 4.012282661935381 9.535733071916178 0.2 -0.552 210.18379114398488 0 4 2.01 7 9 15 0 25 0 0 0.055199999999999916 0.003047039999999991 53.9506 2 1 1 1 1 0 0 0 1 0 0 0 0.4514578686441698 70 374 19 29.075782816382517 1.9383855210921679 12.142793258249036 12.142793258249036 0 4.906890595608519 94.83 1 0.5 0 0 0 0 4.251415002085969 11.093408616786501 0 3.879176139868348 0 0 2.0444118695129676 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13.066666666666666 5.915 4.1652892561983474 0.2 415.05 0.4 181 11.422285251880867 7.002907755397976 6.557372566177702 4.265887125110983 3.2672931531838616 2.7616431645716832 1.2578332204574154 0.7942118157365038 7.751995494562278 4.239587839006481 3.0802184372859154 1.972297346687783 1.2289884038768286 0.7503083727682709 0.309313236467612 0.14484718221690737 2.0650643732806038 2.7894743781686246 4.089639747042727 0.6704116045858449 0.7662360547698975 0.7658051408317661 1.3330061885466302 0 0.2041241452319315 0 0.39007706683715965 0 0.05265459068448683 0 0 0 0 0.08333333333333333 0.13144585576580214 0 0 0 0.027777777777777776 0.028460107352488433 0 0 2 5 1 0 1 1 0 712.29744756279 799.3351262370301 1034.3380016405793 974.6679657279053 768.6467433061526 18.87234517770473 16.660459885662817 23.541489933877273 21.65673581706051 21.653011748458205 0.45010611250042 -0.18343943464366444 0.036567416100723574 2.748306198725765e-4 -0.20347177791041643 3 5 12.848069999999998 28.277929999999998 +0406_00002 11.996122366231635 16.008339664859633 -0.4073417756059544 0.19423119119609555 4.350040451787006 9.898958393030217 0.5185185185185185 -1.7410000000000012 580.5356423216723 3 7 2.8899999999999997 10 21 45 0 73 0 0 -3.7727000000000004 14.233265290000002 142.3225 0 5 2 4 2 0 0 0 5 0 0 0 0.38791462652923253 222 6600 76 83.68374054397955 2.0410668425360865 38.35401460816574 38.35401460816574 0 6.491853096329675 225.05999999999997 1 0.5 0 0 0 0 8.594451034362635 31.380559203561262 0 23.233906180579403 0 0 3.6191690467197315 5.869381418574973 1.5966131437576627 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 7 11 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 32.39506172839506 13.96694214876033 6.975003018959063 0.5185185185185185 4289.14 0.7317073170731707 1385 29.421556294021848 19.603794503572132 18.046910639627885 16.542419937872914 12.902687371166648 10.367817516456034 7.604749919142074 5.291329430427054 21.540823695755748 12.991102414217831 10.091050483066358 7.346759134010304 4.9217516127093015 3.3620502602896347 1.9288862501816417 1.1052280038730549 8.53186652806568 12.848881749699943 18.40221493966713 2.733987233459755 3.3530158942277253 3.9212793206472667 3.101400519393251 0 1.0769443838464432 0 1.3388632544178194 0 0.232889510463452 0 0 0 0 0.29765211295816896 0.8092104199004035 0 0 0 0.12504565241523793 0.2307190412431147 0 0 0 11 2 4 10 0 0 2474.570171557761 2956.866954503423 4242.944241479149 4554.034044619275 3917.1778876266653 51.842566497573245 51.309747565518705 78.17588133932392 95.92057169473347 83.0432657151213 1.6867825901288545 -0.4841657189486141 -0.5754145524171348 0.06348888181452575 0.044853154042127766 8 14 45.520624 80.085376 +0406_00003 11.996125643942447 16.008336128702105 -0.4109769704358359 0.19376711428376 4.4745094000312395 11.817263946955926 0.4230769230769231 -2.309000000000001 564.4931434095812 3 4 2.7800000000000002 20 16 44 0 68 0 0 -4.469300000000003 19.97464249000003 138.98270000000002 0 5 3 4 2 0 0 0 5 0 0 0 0.4379347994736456 222 4711 82 81.35379884971255 2.0338449712428135 37.385992434099606 37.385992434099606 0 6.459431618637297 247.05999999999995 0.875 0.4666666666666667 0 0 0 0 4.343052566806591 25.103153583396992 0 43.09003349759795 0 0 7.4546582529575325 5.875750998649351 0.5723571212766659 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 5 9 0 0 0 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0406_00001 11.99624943880476 15.999992976627006 -0.38681685717416425 0.2671108816925888 4.012282661935381 9.535733071916178 0.2 -0.552 210.18379114398488 0 4 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13,15,29,44,68,73,74,89,92,129,134,153,170,220,245,260,269,282,288,296,311,322,326,327,330,346,347,348,362,369,416,435,446,461,473,508,515,534,540,550,555,562,569,575,597,626,628,640,654,657,660,676,719,724,756,759,787,791,812,875,882,902,927,936,947,968,974 +0406_00006 13,15,26,29,44,68,73,74,79,89,92,126,129,134,139,153,154,173,196,220,245,260,269,277,282,288,296,311,322,326,327,330,346,347,348,362,369,416,435,446,447,461,467,508,515,523,534,538,540,541,550,555,569,575,608,626,628,634,640,654,657,676,681,719,734,754,756,759,770,782,783,787,791,812,855,875,882,883,927,936,947,968,974,982,1000 +0406_00007 15,26,33,79,83,89,114,126,134,139,153,154,173,196,220,240,245,256,260,272,277,290,311,316,326,327,330,335,346,347,364,369,435,447,461,467,473,481,490,505,508,515,523,532,538,548,549,550,608,626,628,634,654,666,667,681,694,699,707,717,719,734,754,770,778,782,783,787,791,801,812,827,855,875,882,883,925,936,948,950,958,968,974,980,982,1000,1006,1022 +0406_00008 15,33,73,83,89,114,134,153,170,220,240,245,256,260,272,290,311,316,326,327,330,335,346,347,364,369,382,435,461,473,481,490,505,508,515,532,548,549,550,562,597,626,628,654,660,666,667,694,699,707,717,719,724,778,782,787,791,801,812,827,882,925,936,948,950,958,968,974,980,1006,1022 +0406_00009 15,20,26,29,37,53,68,77,79,89,93,126,134,139,141,153,154,163,173,196,213,220,260,261,277,296,298,304,311,326,327,330,346,347,353,354,361,369,435,447,461,467,508,515,523,538,541,550,551,578,608,626,628,634,637,640,676,681,712,713,719,727,734,741,754,770,782,783,787,791,812,825,850,855,859,875,882,883,927,936,947,952,955,968,974,982,1000 +0406_00010 20,29,37,53,68,73,77,89,93,134,141,153,163,170,213,220,260,261,296,298,304,311,326,327,330,346,347,353,354,361,369,435,461,473,508,515,550,551,562,578,597,626,628,637,640,660,676,712,713,719,724,727,741,787,791,812,825,850,859,882,902,927,936,947,952,955,968,974 +0406_00011 20,53,68,72,73,77,89,93,128,134,141,153,163,170,220,236,260,261,298,304,311,326,327,330,346,347,353,354,369,382,435,461,473,490,508,515,550,551,562,578,596,597,620,626,628,637,640,660,676,712,719,724,727,733,741,763,787,791,812,825,826,850,882,936,947,952,955,968,974,1000 +0406_00012 13,15,29,44,68,73,74,89,92,129,134,245,268,269,282,288,322,348,362,416,461,508,515,534,540,550,555,569,575,620,626,640,654,657,676,733,756,759,827,875,927,947,968 +0406_00013 4,15,29,33,98,114,126,134,163,197,204,245,256,272,275,303,335,347,353,364,461,508,515,532,548,549,550,618,626,640,654,676,705,708,709,717,756,759,778,782,801,827,855,917,925,927,936,947,948,950,968,970,1006 +0406_00014 15,21,96,124,128,134,219,245,259,260,268,316,330,335,347,350,353,419,425,438,442,461,468,499,500,505,508,513,515,549,550,620,626,640,661,676,683,697,710,733,748,778,780,798,827,918,936,947,948,951,968,996 +0406_00015 3,8,14,15,20,26,34,35,60,73,89,94,99,124,134,135,139,153,161,169,170,178,179,184,193,198,220,222,238,244,245,260,263,265,285,289,303,319,326,330,339,347,361,363,384,390,423,425,435,441,461,467,479,494,499,508,513,526,532,540,562,565,608,626,635,636,651,656,659,677,686,696,698,699,711,712,719,725,727,760,769,770,772,790,804,807,819,866,872,878,883,916,922,936,948,956,964,968,974,980,989,995,998,1006,1009,1010,1014,1018,1022 +0406_00016 3,8,14,15,20,26,35,56,60,63,65,73,89,94,134,135,153,156,161,167,169,170,179,184,185,193,198,220,222,238,244,245,260,263,285,287,289,303,311,321,326,327,330,331,346,347,363,369,384,390,410,422,423,425,435,461,467,479,494,499,508,513,517,526,540,547,556,562,602,608,609,626,635,636,651,656,660,677,686,689,691,696,698,710,711,712,719,727,733,749,760,762,770,772,787,790,791,804,819,872,878,883,908,916,922,934,936,948,956,965,968,974,980,989,995,998,1006,1009,1010,1014,1018,1022 +0406_00017 3,8,14,15,20,26,30,34,60,73,79,89,94,113,134,135,139,151,153,154,161,167,169,170,178,184,193,198,220,222,238,244,245,260,267,285,289,326,347,348,363,382,390,423,425,435,461,467,471,479,494,499,508,513,526,530,540,562,570,608,609,613,626,635,636,642,651,656,665,666,677,696,698,699,711,719,727,760,762,770,772,790,804,805,819,822,831,838,872,873,878,883,886,911,915,916,922,929,936,938,948,956,963,964,968,972,974,980,982,995,1006,1009,1010,1014,1022 +0406_00018 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0406_00019 3,8,14,15,20,26,34,35,60,73,89,94,134,135,138,157,161,169,170,178,179,184,193,197,198,220,222,230,238,244,245,260,263,274,285,287,289,303,322,330,339,347,358,363,384,390,423,425,435,461,467,479,494,499,505,508,513,526,534,540,546,562,581,584,608,625,626,635,636,651,656,677,686,696,698,699,711,712,719,727,760,770,772,790,804,819,824,872,878,883,916,922,936,948,956,960,963,964,968,974,980,989,995,998,1006,1009,1010,1014,1018,1022 +0406_00020 4,11,15,17,29,35,54,71,91,134,194,245,281,330,347,353,364,365,375,388,420,449,461,468,474,508,513,515,531,549,550,567,568,618,626,640,654,656,665,676,705,728,748,756,759,778,841,843,861,947,948,968 +0406_00021 3,8,14,15,20,26,30,60,73,89,94,134,135,139,151,153,154,161,167,169,170,184,185,193,198,220,222,238,244,245,260,267,285,287,289,321,326,347,348,363,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,642,651,656,677,689,696,698,710,711,719,727,733,760,770,772,790,804,805,819,822,831,838,872,878,883,885,915,916,922,934,936,938,948,956,963,965,968,974,978,980,995,1006,1009,1010,1014,1022 +0406_00022 20,29,37,53,68,72,77,93,134,141,163,261,298,304,330,353,354,361,508,515,550,551,578,620,626,637,640,676,712,713,727,733,741,763,825,850,947,952,955,968 +0406_00023 3,8,14,15,20,26,35,60,73,89,94,134,135,161,167,169,170,179,184,185,193,198,220,222,238,244,245,260,263,285,287,289,303,321,330,347,363,384,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,651,656,677,686,689,696,698,710,711,712,719,727,733,760,770,772,790,804,819,838,872,878,883,885,916,922,934,936,948,956,965,968,974,978,980,989,995,998,1006,1009,1010,1014,1018,1022 +0406_00024 8,14,15,20,26,30,36,60,72,73,89,94,131,134,135,139,151,153,154,161,167,170,187,193,194,198,220,222,260,267,274,285,289,297,318,325,326,347,348,363,390,419,425,435,436,452,457,461,467,479,494,495,499,508,519,532,544,558,562,568,570,608,626,635,636,651,654,656,677,706,719,727,760,770,772,790,796,804,805,819,822,827,831,838,872,883,892,895,915,934,936,938,948,956,966,968,973,974,980,981,988,989,995,1003,1006,1010,1014,1022,1023 +0406_00025 3,8,14,15,20,26,35,60,73,89,94,134,135,161,167,169,170,179,184,185,193,198,220,222,238,244,245,260,263,285,287,289,303,321,330,347,363,384,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,651,656,677,686,689,696,698,710,711,712,719,727,733,760,770,772,790,804,819,838,872,878,883,885,916,922,934,936,948,956,965,968,974,978,980,989,995,998,1006,1009,1010,1014,1018,1022 +0406_00026 4,9,15,20,29,52,73,122,126,134,153,194,204,245,256,342,343,347,353,360,364,389,437,461,484,508,515,532,548,549,550,626,640,654,655,661,663,676,683,696,698,702,705,717,744,746,756,757,759,762,774,775,778,782,789,801,827,843,850,917,925,927,947,948,950,968,1004,1006 +0406_00027 4,15,20,50,75,85,95,134,151,153,193,226,251,269,308,326,335,347,353,385,397,402,442,461,500,515,534,549,550,582,589,597,626,640,654,663,696,698,705,719,723,748,757,762,768,774,778,798,808,811,829,835,838,850,893,936,948,968,982,1000,1009 +0406_00028 7,9,15,17,18,20,134,149,153,205,223,243,245,313,314,328,335,353,438,446,460,461,508,513,515,529,554,570,573,582,626,640,661,663,676,683,686,696,698,719,736,748,750,752,757,759,762,766,768,774,827,850,853,871,899,934,935,947,948,968,970,978,982,997 +0406_00029 15,16,17,20,26,75,85,93,134,153,226,245,269,308,326,335,353,379,438,461,500,508,515,527,529,550,582,597,626,640,661,663,676,683,696,698,719,748,750,757,759,762,768,774,797,798,808,811,827,835,850,918,922,935,936,947,948,968,982,1000,1006,1007,1009 +0406_00030 4,13,20,58,69,93,111,134,144,152,161,188,189,197,240,252,260,297,304,347,353,373,389,413,418,446,447,481,489,508,515,549,550,551,599,620,626,635,637,640,661,676,705,727,733,778,791,794,850,897,946,947,948,966,968,977,992,1007 +0406_00031 15,16,17,26,57,83,89,94,134,163,236,245,253,256,277,328,353,364,378,394,407,422,433,452,459,461,499,508,515,523,529,531,545,550,556,560,574,626,640,649,653,654,661,669,676,683,717,726,750,759,763,801,803,825,827,874,888,918,925,947,948,950,963,968,977,979 +0406_00032 15,20,29,42,52,54,70,134,153,166,167,194,245,279,308,343,347,353,377,428,437,438,442,461,500,508,515,542,549,550,568,576,626,640,654,656,663,676,681,683,696,698,744,746,748,750,756,757,759,762,774,778,781,798,835,850,861,887,902,918,927,935,947,948,968,988,996 +0406_00033 15,20,51,52,98,134,153,167,245,326,328,335,343,350,353,360,378,379,413,438,459,461,499,500,508,515,550,620,626,630,640,663,676,683,696,698,726,733,739,746,748,757,762,774,780,781,797,798,827,835,850,881,922,936,945,947,948,968,998,1007 +0406_00034 15,20,40,52,83,89,92,115,134,150,153,163,166,167,221,226,277,328,343,347,353,360,362,432,437,451,454,461,467,477,515,540,549,550,574,590,614,626,639,640,663,696,698,711,739,744,746,757,762,769,774,776,778,779,815,850,882,902,907,908,948,968,987,988,994,1012 +0406_00035 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 diff --git a/processed_data/0406/0406_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0406/0406_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..0f1aea1a5 --- /dev/null +++ b/processed_data/0406/0406_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0406_00001 20,94,107,125,132,134,153,207,270,320,350,374,480,508,511,512,550,620,626,640,647,676,684,727,733,820,895,947,968,1000 +0406_00002 13,15,44,68,73,89,92,129,134,139,153,170,220,245,260,269,282,296,311,316,322,326,327,330,346,347,348,362,369,382,416,435,446,461,473,490,508,515,534,540,550,555,562,569,575,597,613,626,628,637,654,657,660,667,699,719,724,787,791,812,875,882,902,927,936,968,974 +0406_00003 15,41,42,60,77,85,89,93,134,139,140,153,180,223,245,247,259,271,272,279,292,304,311,326,328,335,351,355,384,393,413,442,446,460,461,466,499,508,513,550,562,570,573,601,619,620,626,640,676,683,689,711,718,719,733,743,747,748,782,830,847,858,860,870,879,888,894,899,918,923,934,936,941,947,958,968,974,978,979,1016,1024 +0406_00004 15,44,66,73,85,89,92,93,123,129,134,153,200,206,215,216,220,245,260,279,300,311,316,320,322,324,326,347,351,416,442,444,446,456,461,483,490,493,508,515,533,534,540,550,557,562,602,613,620,626,637,640,654,676,686,689,699,719,733,743,798,801,812,827,864,875,936,947,959,968,974 +0406_00005 15,29,44,47,73,74,85,89,92,93,129,134,153,200,206,216,220,227,245,260,279,300,311,320,322,324,326,347,351,416,442,446,456,461,483,493,508,515,533,534,540,550,557,562,602,626,640,654,676,686,689,719,743,756,759,797,798,801,812,864,875,876,927,936,947,959,968,974 +0406_00006 13,15,26,29,44,47,73,74,85,89,90,92,129,134,139,153,154,172,187,200,206,220,245,260,279,311,320,322,324,326,327,347,351,398,416,442,445,446,456,461,467,479,483,490,493,508,515,534,540,550,557,576,597,602,626,634,637,640,654,676,711,719,743,747,756,759,782,797,798,801,812,855,864,875,876,897,927,936,947,948,959,968,974,980,989 +0406_00007 13,15,26,33,83,85,89,90,114,134,139,153,154,172,187,200,215,220,229,240,245,256,260,272,290,311,316,320,326,327,335,347,351,364,398,442,445,461,467,479,481,490,493,505,508,515,532,548,549,550,557,576,597,602,626,634,637,654,666,676,694,699,707,711,717,719,743,747,778,782,801,812,827,855,897,925,936,948,950,958,968,974,980,989,1006,1022 +0406_00008 15,33,66,83,85,89,93,114,134,153,200,215,216,220,240,245,256,260,272,290,300,311,316,320,326,335,347,351,364,442,461,481,490,493,505,508,515,532,533,548,549,550,557,562,602,626,654,666,686,689,694,699,707,717,719,743,778,782,801,812,827,925,936,948,950,958,968,974,980,1006,1022 +0406_00009 13,15,20,26,29,37,53,68,77,85,89,90,93,134,139,141,153,154,163,172,187,200,213,220,260,261,298,304,311,320,326,327,330,347,351,353,354,361,398,442,445,461,467,479,490,493,508,515,550,551,557,576,578,597,602,626,634,637,640,676,711,712,713,719,727,741,743,747,782,801,812,825,850,855,859,876,897,927,936,947,948,952,955,968,974,980,989 +0406_00010 20,29,37,53,68,77,85,89,93,134,141,153,163,200,213,216,220,227,260,261,298,300,304,311,320,326,330,347,351,353,354,361,442,461,493,508,515,533,550,551,557,562,578,602,626,637,640,676,686,689,712,713,719,727,741,743,812,825,850,859,876,927,936,947,952,955,968,974 +0406_00011 20,53,66,68,72,77,85,89,93,128,134,141,153,163,200,216,220,236,260,261,298,300,304,311,320,326,347,351,353,354,428,442,461,490,493,508,515,533,550,551,557,562,578,596,602,620,626,637,640,676,686,689,712,719,727,733,741,743,763,812,825,826,850,936,947,952,955,968,974 +0406_00012 15,29,44,47,73,74,89,92,123,129,134,206,245,279,322,324,416,446,456,461,483,508,515,534,540,550,620,626,640,654,676,733,756,759,798,801,827,864,875,927,947,959,968 +0406_00013 4,15,29,33,98,114,126,134,163,197,204,245,256,272,275,303,335,347,353,364,461,508,515,532,548,549,550,618,626,640,654,676,705,708,709,717,756,759,778,782,801,827,855,917,925,927,936,947,948,950,968,970,1006 +0406_00014 15,21,96,124,128,134,219,245,259,260,268,316,330,335,347,350,353,419,425,438,442,461,468,499,500,505,508,513,515,549,550,620,626,640,661,676,683,697,710,733,748,778,780,798,827,918,936,947,948,951,968,996 +0406_00015 3,7,11,15,20,26,29,35,37,47,60,80,89,94,109,134,138,139,153,184,193,195,204,205,216,222,224,239,245,246,247,260,266,285,288,297,299,300,315,319,326,329,339,347,396,406,408,418,435,439,445,447,461,467,493,499,508,513,519,531,532,538,540,562,574,582,590,626,629,636,656,677,682,684,696,711,717,719,725,727,743,747,772,779,799,812,819,824,860,865,866,876,885,899,909,916,936,938,941,948,961,964,968,973,974,981,998,1003,1014,1023 +0406_00016 3,7,11,15,20,26,28,29,35,37,47,60,80,85,89,93,94,109,134,138,153,167,184,188,193,195,200,204,205,214,216,222,224,239,245,246,247,260,285,297,299,300,311,315,326,347,351,365,396,406,410,418,435,442,445,461,467,491,493,497,499,508,513,519,531,532,540,562,582,590,602,626,629,636,656,677,681,682,684,689,691,696,711,719,723,725,727,733,743,747,762,772,779,780,782,799,812,819,824,845,851,865,876,899,916,934,936,938,941,948,958,961,964,965,968,973,974,984,991,998,1003,1023 +0406_00017 3,7,8,11,13,15,20,26,28,30,37,60,70,80,89,94,109,129,134,138,139,153,167,174,184,193,195,204,216,222,224,245,247,260,266,285,297,299,300,320,326,329,347,382,396,405,406,418,435,445,461,467,493,497,499,508,513,519,530,531,532,535,536,540,562,570,574,582,588,590,592,599,626,629,636,656,677,682,684,696,711,719,725,727,743,747,758,762,772,779,799,812,819,824,831,838,865,876,886,899,904,916,936,938,941,942,948,964,968,973,974,982,994,1003,1006 +0406_00018 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0406_00019 3,7,11,15,20,26,35,37,47,51,60,65,80,89,94,106,109,134,138,178,184,193,195,204,205,213,216,222,224,239,245,246,247,260,266,274,285,297,299,300,315,329,347,396,406,418,435,440,445,446,461,467,493,499,508,510,513,519,522,531,532,534,540,562,574,581,582,584,590,626,629,636,656,661,677,682,684,695,696,711,719,725,727,743,747,772,779,799,812,819,824,827,865,876,899,909,914,916,936,938,941,948,961,964,968,973,974,998,1003,1023 +0406_00020 4,11,15,17,29,35,54,71,91,134,194,245,281,330,347,353,364,365,375,388,420,449,461,468,474,508,513,515,531,549,550,567,568,618,626,640,654,656,665,676,705,728,748,756,759,778,841,843,861,947,948,968 +0406_00021 3,7,11,15,20,26,28,30,37,60,70,80,89,94,109,134,138,139,153,167,184,193,195,204,214,216,222,224,245,247,260,272,285,297,299,300,320,326,347,365,396,406,418,435,445,461,467,491,493,499,508,513,519,531,535,540,562,570,582,588,590,599,626,629,636,656,677,682,684,687,691,696,711,719,723,725,727,733,743,747,758,765,772,779,799,812,819,824,831,838,865,876,899,904,916,934,936,938,941,942,948,964,965,968,969,973,974,991,1003 +0406_00022 20,29,37,53,68,72,77,93,134,141,163,261,298,304,330,353,354,361,508,515,550,551,578,620,626,637,640,676,712,713,727,733,741,763,825,850,947,952,955,968 +0406_00023 3,7,11,15,20,26,28,32,35,37,47,60,80,87,89,94,109,134,153,167,184,193,195,204,205,214,216,222,224,239,245,246,247,260,272,282,285,297,300,315,347,365,396,406,425,435,445,461,467,491,493,499,508,513,519,531,540,562,570,582,590,621,626,636,656,677,682,684,687,690,691,696,711,719,723,725,727,733,743,749,765,772,779,799,812,819,838,847,865,876,916,928,934,936,938,941,948,953,964,965,968,969,973,974,975,983,991,998,1023 +0406_00024 8,14,15,20,26,30,36,60,72,73,89,94,131,134,135,139,151,153,154,161,167,170,187,193,194,198,220,222,260,267,274,285,289,297,318,325,326,347,348,363,390,419,425,435,436,452,457,461,467,479,494,495,499,508,519,532,544,558,562,568,570,608,626,635,636,651,654,656,677,706,719,727,760,770,772,790,796,804,805,819,822,827,831,838,872,883,892,895,915,934,936,938,948,956,966,968,973,974,980,981,988,989,995,1003,1006,1010,1014,1022,1023 +0406_00025 3,7,11,15,20,26,32,35,37,47,60,80,87,89,94,134,153,167,184,193,195,204,205,214,216,222,224,239,245,246,247,260,272,282,285,297,298,300,315,347,374,406,425,435,445,461,467,493,499,508,513,519,531,540,562,570,572,582,590,621,626,636,656,668,677,678,682,684,690,696,711,719,725,727,733,749,765,772,779,799,809,812,813,819,830,838,847,861,865,876,916,928,930,934,936,938,948,953,965,968,973,974,975,983,998,1016,1021,1023 +0406_00026 4,9,15,20,29,52,73,122,126,134,153,194,204,245,256,342,343,347,353,360,364,389,437,461,484,508,515,532,548,549,550,626,640,654,655,661,663,676,683,696,698,702,705,717,744,746,756,757,759,762,774,775,778,782,789,801,827,843,850,917,925,927,947,948,950,968,1004,1006 +0406_00027 4,15,20,50,75,85,95,134,151,153,193,226,251,269,308,326,335,347,353,385,397,402,442,461,500,515,534,549,550,582,589,597,626,640,654,663,696,698,705,719,723,748,757,762,768,774,778,798,808,811,829,835,838,850,893,936,948,968,982,1000,1009 +0406_00028 7,9,15,17,18,20,134,149,153,205,223,243,245,313,314,328,335,353,438,446,460,461,508,513,515,529,554,570,573,582,626,640,661,663,676,683,686,696,698,719,736,748,750,752,757,759,762,766,768,774,827,850,853,871,899,934,935,947,948,968,970,978,982,997 +0406_00029 15,16,17,20,26,75,85,93,134,153,226,245,269,308,326,335,353,379,438,461,500,508,515,527,529,550,582,597,626,640,661,663,676,683,696,698,719,748,750,757,759,762,768,774,797,798,808,811,827,835,850,918,922,935,936,947,948,968,982,1000,1006,1007,1009 +0406_00030 4,13,20,58,69,93,111,134,144,152,161,188,189,197,240,252,260,297,304,347,353,373,389,413,418,446,447,481,489,508,515,549,550,551,599,620,626,635,637,640,661,676,705,727,733,778,791,794,850,897,946,947,948,966,968,977,992,1007 +0406_00031 15,16,17,26,57,83,89,94,134,163,236,245,253,256,277,328,353,364,378,394,407,422,433,452,459,461,499,508,515,523,529,531,545,550,556,560,574,626,640,649,653,654,661,669,676,683,717,726,750,759,763,801,803,825,827,874,888,918,925,947,948,950,963,968,977,979 +0406_00032 15,20,29,42,52,54,70,134,153,166,167,194,245,279,308,343,347,353,377,428,437,438,442,461,500,508,515,542,549,550,568,576,626,640,654,656,663,676,681,683,696,698,744,746,748,750,756,757,759,762,774,778,781,798,835,850,861,887,902,918,927,935,947,948,968,988,996 +0406_00033 15,20,51,52,98,134,153,167,245,326,328,335,343,350,353,360,378,379,413,438,459,461,499,500,508,515,550,620,626,630,640,663,676,683,696,698,726,733,739,746,748,757,762,774,780,781,797,798,827,835,850,881,922,936,945,947,948,968,998,1007 +0406_00034 15,20,22,40,52,89,92,115,134,150,153,166,167,220,221,226,277,328,343,347,353,360,432,437,451,454,461,467,477,515,540,549,550,557,574,590,614,626,640,657,663,696,698,711,739,744,746,757,762,769,774,776,778,779,815,844,850,882,902,907,908,948,968,987,988,994,1012 +0406_00035 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 diff --git a/processed_data/0406/0406_fingerprints_maccs_canonical_success.tsv b/processed_data/0406/0406_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..68427cc4f --- /dev/null +++ b/processed_data/0406/0406_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0406_00001 90,104,113,123,127,131,132,136,139,140,143,146,152,154,155,157,159,162,163,164,165 +0406_00002 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00003 53,54,57,62,72,82,89,90,91,98,104,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00004 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00005 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00006 53,54,57,62,66,72,82,83,89,90,91,96,98,104,105,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00007 53,54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0406_00008 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0406_00009 53,54,57,66,72,82,83,89,90,91,96,98,99,104,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00010 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00011 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00012 57,62,89,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0406_00013 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00014 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00015 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00016 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00017 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00018 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00019 19,26,50,53,54,57,66,72,74,76,83,89,96,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00020 53,57,62,89,93,98,105,113,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00021 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00022 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0406_00023 26,50,53,54,57,66,72,74,76,89,90,91,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00024 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00025 26,50,53,54,57,66,72,74,76,89,90,91,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00026 50,57,62,74,76,89,93,98,99,105,108,113,116,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00027 50,57,62,72,74,76,83,89,90,93,96,99,105,113,116,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,155,157,159,160,162,163,164,165 +0406_00028 50,53,54,57,62,72,74,76,89,90,91,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00029 50,53,57,62,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00030 34,66,74,89,93,99,112,113,125,126,127,131,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00031 53,57,62,66,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00032 50,57,74,76,83,89,90,93,96,98,99,105,108,113,116,120,123,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00033 50,53,57,62,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00034 50,53,57,62,74,76,89,90,91,93,98,99,105,108,109,113,116,125,126,127,128,131,137,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0406_00035 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 diff --git a/processed_data/0406/0406_fingerprints_maccs_isomeric_success.tsv b/processed_data/0406/0406_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..68427cc4f --- /dev/null +++ b/processed_data/0406/0406_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0406_00001 90,104,113,123,127,131,132,136,139,140,143,146,152,154,155,157,159,162,163,164,165 +0406_00002 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00003 53,54,57,62,72,82,89,90,91,98,104,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00004 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00005 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00006 53,54,57,62,66,72,82,83,89,90,91,96,98,104,105,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00007 53,54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0406_00008 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0406_00009 53,54,57,66,72,82,83,89,90,91,96,98,99,104,109,112,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00010 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00011 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0406_00012 57,62,89,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0406_00013 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00014 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00015 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00016 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00017 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00018 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00019 19,26,50,53,54,57,66,72,74,76,83,89,96,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00020 53,57,62,89,93,98,105,113,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0406_00021 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00022 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0406_00023 26,50,53,54,57,66,72,74,76,89,90,91,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00024 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0406_00025 26,50,53,54,57,66,72,74,76,89,90,91,98,99,105,108,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0406_00026 50,57,62,74,76,89,93,98,99,105,108,113,116,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00027 50,57,62,72,74,76,83,89,90,93,96,99,105,113,116,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,155,157,159,160,162,163,164,165 +0406_00028 50,53,54,57,62,72,74,76,89,90,91,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00029 50,53,57,62,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00030 34,66,74,89,93,99,112,113,125,126,127,131,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00031 53,57,62,66,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0406_00032 50,57,74,76,83,89,90,93,96,98,99,105,108,113,116,120,123,125,126,127,131,137,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00033 50,53,57,62,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0406_00034 50,53,57,62,74,76,89,90,91,93,98,99,105,108,109,113,116,125,126,127,128,131,137,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0406_00035 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 diff --git a/processed_data/0406/0406_fingerprints_pubchem_canonical_success.tsv b/processed_data/0406/0406_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..abf822469 --- /dev/null +++ b/processed_data/0406/0406_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0406_00001 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0406_00002 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00004 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00005 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00006 10,11,12,13,19,20,21,22,144,147,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00007 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0406_00008 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0406_00009 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,193,256,258,284,285,287,309,333,334,338,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00010 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00011 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00012 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00013 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0406_00014 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00015 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00016 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00017 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00018 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0406_00019 10,11,12,13,14,19,20,21,22,23,144,147,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00020 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,741,757,778,804,820 +0406_00021 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00022 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00023 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00024 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,190,193,194,200,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,517,525,536,538,557,564,565,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,665,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00025 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00026 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00027 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0406_00028 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0406_00029 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00030 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0406_00031 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00032 10,11,12,13,19,20,21,144,147,179,180,182,186,187,193,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00034 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,336,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00035 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 diff --git a/processed_data/0406/0406_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0406/0406_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..abf822469 --- /dev/null +++ b/processed_data/0406/0406_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0406_00001 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,715,778 +0406_00002 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00004 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00005 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10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00018 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0406_00019 10,11,12,13,14,19,20,21,22,23,144,147,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00020 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10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00022 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0406_00023 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00024 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,190,193,194,200,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,517,525,536,538,557,564,565,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,665,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0406_00025 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10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00027 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0406_00028 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10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00030 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0406_00031 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00032 10,11,12,13,19,20,21,144,147,179,180,182,186,187,193,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0406_00034 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,336,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,741,757,778,798,804,820 +0406_00035 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 diff --git a/processed_data/0406/0406_gradient.tsv b/processed_data/0406/0406_gradient.tsv new file mode 100644 index 000000000..fa23743cc --- /dev/null +++ b/processed_data/0406/0406_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 98 2 +10 0.4 82 18 +15 0.4 72 28 +22 0.4 60 40 +32 0.4 33 67 diff --git a/processed_data/0406/0406_info.tsv b/processed_data/0406/0406_info.tsv new file mode 100644 index 000000000..446a25915 --- /dev/null +++ b/processed_data/0406/0406_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0406 10.1016/j.jpba.2015.06.020 Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang , Yan Zhu , Lei Zhang , Xin Chai, Miaomiao Jiang, Lihua Shan ROASMI_7 diff --git a/processed_data/0406/0406_metadata.tsv b/processed_data/0406/0406_metadata.tsv new file mode 100644 index 000000000..2a2747175 --- /dev/null +++ b/processed_data/0406/0406_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0406 Waters ACQUITY UPLC BEH Shield RP18 L1 100 2.1 1.7 40 0.4 0.55125 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98 2 0 0 33 67 0 0 diff --git a/processed_data/0406/0406_report_canonical.pdf b/processed_data/0406/0406_report_canonical.pdf new file mode 100644 index 000000000..280803da3 Binary files /dev/null and b/processed_data/0406/0406_report_canonical.pdf differ diff --git a/processed_data/0406/0406_report_isomeric.pdf b/processed_data/0406/0406_report_isomeric.pdf new file mode 100644 index 000000000..da6961abd Binary files /dev/null and b/processed_data/0406/0406_report_isomeric.pdf differ diff --git a/processed_data/0406/0406_rtdata_canonical_success.tsv b/processed_data/0406/0406_rtdata_canonical_success.tsv new file mode 100644 index 000000000..9f36da714 --- /dev/null +++ b/processed_data/0406/0406_rtdata_canonical_success.tsv @@ -0,0 +1,36 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0406_00001 C10H10O5 4.336 C1=CC(=CC=C1C(CC(=O)O)C(=O)O)O InChI=1S/C10H10O5/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)(H,14,15) JACAYMPMXVSQHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0406_00002 C27H32O14 6.014 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2 UCUBMAVPVJYHIR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0406_00003 C26H28O14 8.556 C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2 MMDUKUSNQNWVET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0406_00004 C21H22O9 9.181 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2 HJBUYKZTEBZNSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0406_00005 C21H22O9 9.894 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2 DEMKZLAVQYISIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00006 C26H30O13 10.186 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2 FTVKHUHJWDMWIR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00007 C27H30O13 12.219 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O InChI=1S/C27H30O13/c1-35-14-4-2-13(3-5-14)17-10-36-18-8-15(6-7-16(18)20(17)30)38-25-23(22(32)21(31)19(9-28)39-25)40-26-24(33)27(34,11-29)12-37-26/h2-8,10,19,21-26,28-29,31-34H,9,11-12H2,1H3 TUUBGLDJKKCMRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0406_00008 C22H22O9 12.32 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3 MGJLSBDCWOSMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0406_00009 C26H30O13 14.024 C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2 VMMVZVPAYFZNBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00010 C21H22O9 14.316 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2 YNWXJFQOCHMPCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00011 C21H22O9 14.477 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2 XQWFHGOIUZFQPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00012 C15H12O4 14.559 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2 FURUXTVZLHCCNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0406_00013 C16H12O5 15.06 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 ZZAJQOPSWWVMBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 3'-hydroxy,4'-methoxyisoflavonoids (CHEMONTID:0003651) +0406_00014 C17H14O6 15.078 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3 BJBUTJQYZDYRMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0406_00015 C42H64O16 16.813 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7O)(C)CO)C)C)C)C InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)32(20(44)14-18-19-15-38(3,17-43)16-22(45)39(19,4)12-13-41(18,42)6)40(21,5)10-9-23(37)55-36-31(27(49)26(48)30(57-36)34(53)54)58-35-28(50)24(46)25(47)29(56-35)33(51)52/h14,19,21-32,35-36,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54) ZFSRTFFNWLQWAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00016 C48H72O21 17.445 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)C InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62) HJFOOTRGDAPZMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00017 C44H64O19 17.755 CC(=O)OC1CC(CC2C1(CCC3(C2=CC(=O)C4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)C)C)C)(C)C(=O)O InChI=1S/C44H64O19/c1-18(46)59-24-16-39(2,38(57)58)15-20-19-14-21(47)33-41(4)10-9-23(42(5,17-45)22(41)8-11-44(33,7)43(19,6)13-12-40(20,24)3)60-37-32(28(51)27(50)31(62-37)35(55)56)63-36-29(52)25(48)26(49)30(61-36)34(53)54/h14,20,22-33,36-37,45,48-52H,8-13,15-17H2,1-7H3,(H,53,54)(H,55,56)(H,57,58) OIHAASBKFLBOND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00018 C16H12O4 18.996 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0406_00019 C42H60O16 19.784 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC8(CC7OC8=O)C)C)C)C)C InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52) ACCYCJOHUMRMMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00020 C16H12O6 19.941 COC1=CC(=CC2=C1C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-14-5-9(18)6-15-12(14)7-11(16(20)22-15)10-3-2-8(17)4-13(10)19/h2-7,17-19H,1H3 FTOHMMMSWYNATM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Hydroxyisoflavonoids (CHEMONTID:0004154) NA (NA) NA (NA) +0406_00021 C42H62O17 20.726 CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55) WBQVRPYEEYUEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00022 C15H12O4 20.88 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H DXDRHHKMWQZJHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0406_00023 C42H62O16 21.93 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54) LPLVUJXQOOQHMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00024 C42H62O16 22.349 CC12CCC(CC1=C3C=CC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54) IPBGQSWRSQPGCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00025 C42H62O16 22.479 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54) LPLVUJXQOOQHMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00026 C22H22O6 24.094 CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3 GGWMNTNDTRKETA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0406_00027 C21H22O5 24.774 CC(=CCC1=C(C=CC(=C1)C2=C(C3=CC(=C(C=C3O2)OC)OC)O)O)C InChI=1S/C21H22O5/c1-12(2)5-6-13-9-14(7-8-16(13)22)21-20(23)15-10-18(24-3)19(25-4)11-17(15)26-21/h5,7-11,22-23H,6H2,1-4H3 KRWXHCWICDLYOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) 2-arylbenzofuran flavonoids (CHEMONTID:0003405) NA (NA) NA (NA) NA (NA) +0406_00028 C20H18O6 24.946 CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-9,21-22,24-25H,4H2,1-2H3 CQVDOHIEYGNTQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 3'-prenylated flavones (CHEMONTID:0003502) NA (NA) +0406_00029 C20H18O6 26.075 CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 PGCKDCPTJAQQSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 3'-prenylated flavones (CHEMONTID:0003502) NA (NA) +0406_00030 C21H22O4 26.299 CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3 KAZSKMJFUPEHHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) Retrochalcones (CHEMONTID:0003474) NA (NA) +0406_00031 C20H16O6 26.901 CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C InChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-9,21-23H,1-2H3 KIZPADOTOCPASX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Pyranoisoflavonoids (CHEMONTID:0003530) NA (NA) NA (NA) +0406_00032 C21H18O6 27.211 CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 LWESBHWAOZORCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Coumestans (CHEMONTID:0000354) NA (NA) NA (NA) +0406_00033 C20H18O6 28.082 CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3 TVMHBSODLWMMMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 6-prenylated flavones (CHEMONTID:0003503) NA (NA) +0406_00034 C26H32O5 28.677 CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C(C(=C3OC)CC=C(C)C)O)OC2)O)C InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3 GBRZTUJCDFSIHM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 5-O-methylated isoflavonoids (CHEMONTID:0002600) NA (NA) +0406_00035 C30H46O4 29.23 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) diff --git a/processed_data/0406/0406_rtdata_isomeric_success.tsv b/processed_data/0406/0406_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..563ba6539 --- /dev/null +++ b/processed_data/0406/0406_rtdata_isomeric_success.tsv @@ -0,0 +1,36 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0406_00001 C10H10O5 4.336 C1=CC(=CC=C1C(CC(=O)O)C(=O)O)O InChI=1S/C10H10O5/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)(H,14,15) JACAYMPMXVSQHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0406_00002 C27H32O14 6.014 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2 UCUBMAVPVJYHIR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0406_00003 C26H28O14 8.556 C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1 MMDUKUSNQNWVET-VYUBKLCTSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0406_00004 C21H22O9 9.181 C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1 HJBUYKZTEBZNSH-ZRWXNEIDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0406_00005 C21H22O9 9.894 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1 DEMKZLAVQYISIA-ZRWXNEIDSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00006 C26H30O13 10.186 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1 FTVKHUHJWDMWIR-DWMQJYMWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00007 C27H30O13 12.219 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O InChI=1S/C27H30O13/c1-35-14-4-2-13(3-5-14)17-10-36-18-8-15(6-7-16(18)20(17)30)38-25-23(22(32)21(31)19(9-28)39-25)40-26-24(33)27(34,11-29)12-37-26/h2-8,10,19,21-26,28-29,31-34H,9,11-12H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27-/m1/s1 TUUBGLDJKKCMRH-LDSFXQROSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0406_00008 C22H22O9 12.32 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 MGJLSBDCWOSMHL-MIUGBVLSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0406_00009 C26H30O13 14.024 C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+/t19-,20-,21+,22-,23+,24-,25+,26-/m1/s1 VMMVZVPAYFZNBM-KVFWHIKKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00010 C21H22O9 14.316 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 YNWXJFQOCHMPCK-LXGDFETPSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00011 C21H22O9 14.477 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 XQWFHGOIUZFQPJ-LXGDFETPSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0406_00012 C15H12O4 14.559 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 FURUXTVZLHCCNA-AWEZNQCLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0406_00013 C16H12O5 15.06 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3 ZZAJQOPSWWVMBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 3'-hydroxy,4'-methoxyisoflavonoids (CHEMONTID:0003651) +0406_00014 C17H14O6 15.078 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3 BJBUTJQYZDYRMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0406_00015 C42H64O16 16.813 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](C[C@H]5O)(C)CO)C)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)32(20(44)14-18-19-15-38(3,17-43)16-22(45)39(19,4)12-13-41(18,42)6)40(21,5)10-9-23(37)55-36-31(27(49)26(48)30(57-36)34(53)54)58-35-28(50)24(46)25(47)29(56-35)33(51)52/h14,19,21-32,35-36,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54)/t19-,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36+,38+,39+,40-,41+,42+/m0/s1 ZFSRTFFNWLQWAO-UEFFDLHQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00016 C48H72O21 17.445 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1 HJFOOTRGDAPZMV-SMVKYPPISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00017 C44H64O19 17.755 CC(=O)O[C@@H]1C[C@](C[C@@H]2[C@]1(CC[C@@]3(C2=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)C)C)C)(C)C(=O)O InChI=1S/C44H64O19/c1-18(46)59-24-16-39(2,38(57)58)15-20-19-14-21(47)33-41(4)10-9-23(42(5,17-45)22(41)8-11-44(33,7)43(19,6)13-12-40(20,24)3)60-37-32(28(51)27(50)31(62-37)35(55)56)63-36-29(52)25(48)26(49)30(61-36)34(53)54/h14,20,22-33,36-37,45,48-52H,8-13,15-17H2,1-7H3,(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,39+,40+,41-,42+,43+,44+/m0/s1 OIHAASBKFLBOND-OUMVFDBLSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00018 C16H12O4 18.996 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0406_00019 C42H60O16 19.784 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@]6(C[C@H]5OC6=O)C)C)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O InChI=1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)/t18-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39+,40-,41+,42+/m0/s1 ACCYCJOHUMRMMV-NHJGESHHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00020 C16H12O6 19.941 COC1=CC(=CC2=C1C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)O InChI=1S/C16H12O6/c1-21-14-5-9(18)6-15-12(14)7-11(16(20)22-15)10-3-2-8(17)4-13(10)19/h2-7,17-19H,1H3 FTOHMMMSWYNATM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Hydroxyisoflavonoids (CHEMONTID:0004154) NA (NA) NA (NA) +0406_00021 C42H62O17 20.726 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1 WBQVRPYEEYUEBQ-OJVDLISWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00022 C15H12O4 20.88 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ DXDRHHKMWQZJHT-FPYGCLRLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0406_00023 C42H62O16 21.93 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 LPLVUJXQOOQHMX-QWBHMCJMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00024 C42H62O16 22.349 CC12CCC(CC1=C3C=CC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54) IPBGQSWRSQPGCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00025 C42H62O16 22.479 C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35+,38-,39+,40+,41-,42-/m1/s1 LPLVUJXQOOQHMX-IOHDZAKGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0406_00026 C22H22O6 24.094 CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3 GGWMNTNDTRKETA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0406_00027 C21H22O5 24.774 CC(=CCC1=C(C=CC(=C1)C2=C(C3=CC(=C(C=C3O2)OC)OC)O)O)C InChI=1S/C21H22O5/c1-12(2)5-6-13-9-14(7-8-16(13)22)21-20(23)15-10-18(24-3)19(25-4)11-17(15)26-21/h5,7-11,22-23H,6H2,1-4H3 KRWXHCWICDLYOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) 2-arylbenzofuran flavonoids (CHEMONTID:0003405) NA (NA) NA (NA) NA (NA) +0406_00028 C20H18O6 24.946 CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-9,21-22,24-25H,4H2,1-2H3 CQVDOHIEYGNTQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 3'-prenylated flavones (CHEMONTID:0003502) NA (NA) +0406_00029 C20H18O6 26.075 CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3 PGCKDCPTJAQQSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 3'-prenylated flavones (CHEMONTID:0003502) NA (NA) +0406_00030 C21H22O4 26.299 CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ KAZSKMJFUPEHHW-DHZHZOJOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) Retrochalcones (CHEMONTID:0003474) NA (NA) +0406_00031 C20H16O6 26.901 CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C InChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-9,21-23H,1-2H3 KIZPADOTOCPASX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Pyranoisoflavonoids (CHEMONTID:0003530) NA (NA) NA (NA) +0406_00032 C21H18O6 27.211 CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3 LWESBHWAOZORCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Coumestans (CHEMONTID:0000354) NA (NA) NA (NA) +0406_00033 C20H18O6 28.082 CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3 TVMHBSODLWMMMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) 6-prenylated flavones (CHEMONTID:0003503) NA (NA) +0406_00034 C26H32O5 28.677 CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C=C(C(=C3OC)CC=C(C)C)O)OC2)O)C InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1 GBRZTUJCDFSIHM-KRWDZBQOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 5-O-methylated isoflavonoids (CHEMONTID:0002600) NA (NA) +0406_00035 C30H46O4 29.23 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) diff --git a/processed_data/0406/0406_validation_qspr_outliers.tsv b/processed_data/0406/0406_validation_qspr_outliers.tsv new file mode 100644 index 000000000..d095c0f6f --- /dev/null +++ b/processed_data/0406/0406_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0406_00001 11.917650864608541 diff --git a/processed_data/0407/0407_descriptors_canonical_success.tsv b/processed_data/0407/0407_descriptors_canonical_success.tsv new file mode 100644 index 000000000..8fbc96567 --- /dev/null +++ b/processed_data/0407/0407_descriptors_canonical_success.tsv @@ -0,0 +1,71 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0407_00001 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0.5238429641425575 0 0 0 0.05442442574366238 0.10533693256110654 0 0 0 13 2 0 0 0 0 1551.6662457608963 1870.7150291105777 2749.08290518691 3027.433526394709 2641.3974596804483 31.19575228432757 30.6530117484582 45.97765558838614 57.071807661947624 55.28865375589695 0.8239501313630326 -0.26011264994145755 -0.21763085817520905 -0.059144476169102 0.207939809262903 4 8 22.010898000000005 45.67110199999998 diff --git a/processed_data/0407/0407_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0407/0407_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..500ae39a7 --- /dev/null +++ b/processed_data/0407/0407_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 20,93,94,107,118,141,153,207,231,250,259,261,341,441,481,490,508,626,635,642,657,659,679,698,704,727,756,778,833,915 +0407_00002 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772 +0407_00003 20,94,107,141,199,207,241,406,481,508,544,626,727,750,802,948 +0407_00004 14,20,94,107,118,128,141,145,153,157,186,207,226,231,250,257,270,284,285,366,387,403,427,480,481,508,516,530,566,626,627,635,673,690,692,727,739,757,871,917,927,984,997,1006 +0407_00005 98,134,188,206,223,240,245,249,317,405,422,479,506,508,517,532,580,582,654,662,727,778,787,884,950,968,981,984,1012 +0407_00006 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0407_00007 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0407_00008 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0407_00009 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019 +0407_00010 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0407_00011 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0407_00012 20,21,60,94,107,134,139,141,147,148,171,207,226,264,304,347,353,369,371,381,382,390,430,476,497,508,515,531,542,550,551,598,626,640,712,717,727,735,737,747,825,850,872,910,936,968,976 +0407_00013 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,540,550,552,570,586,623,626,640,676,678,701,719,728,732,750,759,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0407_00014 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0407_00015 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4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,540,550,552,570,586,623,626,640,676,678,701,719,728,732,750,759,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0407_00019 1,4,15,17,40,73,85,89,134,164,182,222,328,337,353,387,415,423,444,446,461,511,515,534,540,552,592,606,626,640,648,676,750,752,759,783,831,836,841,850,936,947,968,999,1019 +0407_00020 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0407_00021 20,60,72,94,107,134,139,141,148,171,207,261,264,304,347,382,390,497,508,531,542,550,551,620,626,640,676,712,717,727,733,737,741,747,763,825,850,855,872,910,936,947,968,976 +0407_00022 25,76,96,134,146,153,175,220,236,272,326,381,408,476,487,503,506,508,542,550,563,569,609,626,654,662,666,689,713,714,723,741,786,797,822,968,1008,1010 +0407_00023 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,540,550,552,570,586,623,626,640,676,678,701,719,728,732,750,759,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0407_00024 4,20,60,94,95,107,134,139,141,147,148,171,201,207,226,264,304,347,353,362,382,390,497,508,515,531,542,549,550,551,626,640,666,705,712,717,727,735,737,747,778,825,850,858,872,910,931,936,948,968,976,990,999 +0407_00025 17,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,369,400,435,438,440,461,473,476,512,515,521,553,562,592,597,616,622,626,640,648,656,660,661,676,677,682,705,719,724,752,787,790,791,794,905,936,947,961,968,970,974,983 +0407_00026 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0407_00027 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0407_00028 4,17,20,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,358,369,387,400,435,438,440,461,473,512,515,521,529,549,553,562,597,616,622,626,629,640,656,660,661,676,677,682,705,707,719,724,752,778,787,790,791,856,877,905,936,947,948,961,968,970,974,983 +0407_00029 20,23,134,151,153,211,219,298,328,347,353,396,442,505,508,515,544,592,626,640,648,663,727,736,752,878,897,948,968,994,1011 +0407_00030 15,17,20,23,25,35,40,73,89,112,120,129,134,151,182,211,212,226,317,328,335,337,347,353,369,381,396,415,444,461,476,503,508,511,515,534,540,550,552,576,592,602,606,626,640,648,664,676,727,750,752,753,759,762,783,831,833,836,837,894,897,928,947,968,998,1011,1019,1022 +0407_00031 4,17,43,72,73,83,89,126,134,139,142,153,170,201,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,369,400,435,438,440,461,473,512,515,521,549,550,553,562,597,616,622,626,640,660,662,665,666,676,677,682,705,707,719,724,778,787,790,791,858,861,905,936,947,948,961,968,974,979,983 +0407_00032 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0407_00033 4,17,20,72,73,83,89,126,133,134,139,142,153,170,220,223,239,265,277,284,311,326,327,328,330,335,336,342,346,347,353,369,400,435,438,440,461,473,512,515,521,549,553,562,597,616,622,626,640,656,660,661,676,677,682,705,707,719,724,769,778,787,790,791,856,905,936,947,948,961,968,974,983 +0407_00034 15,17,20,23,25,35,40,73,89,112,120,134,151,182,211,212,317,328,335,337,347,353,387,396,397,415,444,461,508,511,515,534,540,552,576,592,606,626,640,648,664,676,681,727,750,752,759,762,783,831,833,836,841,850,894,897,928,947,968,1011,1019 +0407_00035 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0407_00036 17,26,72,73,89,122,134,153,160,170,212,220,260,295,299,304,311,326,327,330,346,347,369,405,435,461,473,486,515,550,562,597,602,620,626,628,640,660,676,712,719,724,733,741,763,787,791,792,804,813,825,850,870,882,907,936,947,968,974,1005 +0407_00037 8,15,16,17,20,21,89,94,134,170,195,220,245,263,328,330,335,347,350,353,363,419,425,435,438,461,473,500,508,515,529,538,562,592,619,626,635,640,648,661,676,677,683,713,719,724,727,748,750,752,753,759,790,794,798,807,827,872,918,935,936,947,968,970,974,995,996,1006 +0407_00038 1,17,20,39,72,83,89,126,134,139,142,153,170,220,231,239,265,277,328,335,336,342,347,353,369,399,400,435,438,440,461,473,476,508,512,515,521,544,552,553,555,562,592,616,622,626,640,648,656,660,661,676,677,682,683,705,719,724,727,750,752,762,785,787,790,791,794,886,905,936,947,948,951,961,968,970,974,983,989 +0407_00039 15,16,17,21,73,89,118,134,153,170,195,220,245,263,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,562,592,597,619,626,640,648,660,661,676,683,719,724,748,750,752,753,759,787,791,794,798,807,827,872,918,935,936,947,968,970,974,996,1006 +0407_00040 4,5,10,21,73,79,89,90,118,119,125,133,134,153,170,178,186,195,204,220,222,223,263,267,284,311,326,327,328,329,330,335,346,347,369,435,452,461,473,485,513,515,529,549,561,562,567,597,626,640,642,651,660,680,681,705,707,717,719,724,728,733,748,778,787,791,798,807,817,842,856,903,907,914,936,948,968,974,981,984,996,1005,1008 +0407_00041 1,17,20,39,43,72,83,89,126,134,139,142,153,170,220,226,237,239,265,277,335,336,342,347,353,361,369,381,399,400,435,438,440,461,473,476,507,508,512,515,521,544,550,552,553,555,562,616,622,626,640,660,665,676,677,682,683,705,719,724,727,750,762,775,785,787,790,791,886,905,936,947,948,951,961,968,970,974,983,989 +0407_00042 1,4,17,20,39,72,83,89,126,134,139,142,153,170,220,231,239,265,277,328,335,336,342,347,353,358,369,387,399,400,435,438,440,461,473,508,512,515,521,529,544,549,552,553,555,562,616,622,626,629,640,656,660,661,676,677,682,683,705,707,719,724,727,750,752,762,778,785,787,790,791,856,877,886,905,936,947,948,951,961,968,970,974,983,989 +0407_00043 15,17,57,73,89,107,129,134,139,192,245,308,321,334,353,389,399,461,493,508,515,529,534,550,573,596,601,604,620,626,640,661,670,676,683,733,735,750,759,783,827,831,849,936,947,950,968 +0407_00044 4,21,26,63,73,76,89,94,101,105,118,119,133,134,153,170,178,179,186,194,195,220,223,241,245,267,270,284,311,326,327,328,330,335,346,347,369,435,461,473,491,508,513,515,517,549,562,597,626,640,660,679,681,705,707,719,724,748,749,778,787,791,798,807,817,823,828,850,852,856,900,934,936,946,948,959,968,974,981,984,996 +0407_00045 8,15,17,20,57,73,80,89,94,107,129,134,170,192,220,226,245,321,334,347,353,355,363,425,435,461,473,486,493,508,515,529,534,550,562,568,573,596,601,602,604,626,635,640,661,670,676,677,683,705,713,719,720,724,727,735,750,759,783,790,831,837,849,858,872,905,936,947,950,968,974,995,998,1006 +0407_00046 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0407_00047 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0407_00048 1,4,17,20,39,43,72,83,89,126,134,139,142,153,170,201,220,226,237,239,265,277,335,336,342,347,353,369,399,400,435,438,440,461,473,508,512,515,521,544,549,550,552,553,555,562,616,622,626,640,660,662,665,666,676,677,682,683,705,707,719,724,727,750,762,778,785,787,790,791,858,861,886,905,936,947,948,951,961,968,974,979,983,989 +0407_00049 1,4,17,20,39,72,83,89,126,133,134,139,142,153,170,220,223,239,265,277,284,328,335,336,342,347,353,369,399,400,435,438,440,461,473,508,512,515,521,544,549,552,553,555,562,616,622,626,640,656,660,661,676,677,682,683,705,707,719,724,727,750,762,769,778,785,787,790,791,856,886,905,936,947,948,951,961,968,974,983,989 +0407_00050 17,26,72,73,89,122,134,153,160,170,212,220,260,295,299,304,311,326,327,330,346,347,369,405,435,461,473,486,515,550,562,597,602,620,626,628,640,660,676,712,719,724,733,741,763,787,791,792,804,813,825,850,870,882,907,936,947,968,974,1005 +0407_00051 4,15,16,17,21,73,89,118,134,153,170,195,220,245,263,311,326,327,328,330,335,346,347,350,353,358,369,387,418,419,435,438,461,473,500,508,515,529,538,549,562,597,626,629,640,648,660,661,676,683,705,707,719,724,748,750,752,753,759,778,787,791,798,807,827,856,872,877,918,935,936,947,948,968,970,974,984,996,1006 +0407_00052 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +0407_00053 7,17,20,27,39,72,83,89,126,134,139,141,142,153,170,220,231,239,261,265,277,293,304,328,335,336,342,347,353,369,399,400,435,438,440,461,473,476,479,508,512,515,521,544,550,551,553,555,562,592,616,620,622,626,640,648,656,660,661,676,677,682,683,705,712,717,719,724,726,727,733,737,741,752,763,785,787,790,791,794,825,850,855,857,905,936,947,951,961,968,970,974,983 +0407_00054 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0407_00055 8,15,16,17,20,21,89,94,134,170,195,219,220,245,330,335,347,350,353,363,395,419,425,435,438,461,473,499,500,508,515,529,550,562,620,626,635,640,648,661,676,677,683,713,719,724,727,733,748,750,753,759,780,790,798,827,872,918,935,936,947,968,974,995,996,1006 +0407_00056 4,7,17,20,27,39,72,83,89,126,134,139,141,142,153,170,220,231,239,261,265,277,293,304,328,335,336,342,347,353,358,369,387,399,400,435,438,440,461,473,479,508,512,515,521,529,544,549,550,551,553,555,562,616,620,622,626,629,640,656,660,661,676,677,682,683,705,707,712,717,719,724,726,727,733,737,741,752,763,778,785,787,790,791,825,850,855,856,857,877,905,936,947,948,951,961,968,970,974,983 +0407_00057 15,16,17,21,73,89,118,134,153,170,195,219,220,245,311,326,327,330,335,346,347,350,353,369,395,419,435,438,461,473,499,500,508,515,529,550,562,597,620,626,640,648,660,661,676,683,719,724,733,748,750,753,759,780,787,791,798,827,872,918,935,936,947,968,974,996,1006 +0407_00058 20,32,39,72,75,76,89,128,134,136,141,153,162,168,170,173,183,186,189,195,220,223,226,232,245,246,247,261,269,270,285,304,335,345,347,353,361,364,369,381,399,435,443,461,473,476,497,508,513,515,544,547,550,551,555,562,589,594,612,620,626,640,643,647,660,676,683,696,712,719,724,733,741,742,748,753,763,785,787,791,798,810,811,817,825,850,876,882,919,934,936,947,951,968,970,974,985,1020 +0407_00059 4,15,16,17,21,73,89,118,134,153,170,195,201,220,226,245,269,272,311,326,327,330,335,346,347,350,353,369,385,419,435,438,461,473,500,508,515,529,549,550,562,591,597,626,640,648,660,661,662,666,676,683,705,707,719,724,748,750,753,759,778,787,791,798,811,827,858,872,918,935,936,947,948,968,974,979,996,1006 +0407_00060 4,7,17,20,27,39,72,83,89,126,133,134,139,141,142,153,170,220,223,239,261,265,277,284,293,304,328,335,336,342,347,353,369,399,400,435,438,440,461,473,479,508,512,515,521,544,549,550,551,553,555,562,616,620,622,626,640,656,660,661,676,677,682,683,705,707,712,717,719,724,726,727,733,737,741,763,769,778,785,787,790,791,825,850,855,856,857,905,936,947,948,951,961,968,974,983 +0407_00061 4,15,16,17,21,73,89,118,133,134,153,170,178,195,220,223,245,284,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,549,562,597,626,640,648,660,661,676,683,705,707,719,724,748,750,753,759,778,787,791,798,807,827,856,872,918,935,936,947,948,968,974,984,996,1006 +0407_00062 4,7,17,20,27,39,43,72,83,89,126,134,139,141,142,153,170,201,220,226,237,239,261,265,277,293,304,335,336,342,347,353,369,399,400,435,438,440,461,473,479,508,512,515,521,544,549,550,551,553,555,562,616,620,622,626,640,660,662,665,666,676,677,682,683,705,707,712,717,719,724,726,727,733,737,741,763,778,785,787,790,791,825,850,855,857,858,861,905,936,947,948,951,961,968,974,979,983 +0407_00063 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0407_00064 15,20,26,50,56,92,94,134,148,183,220,227,237,245,264,267,315,375,462,469,486,499,502,508,513,551,626,665,704,708,722,727,762,772,850,855,865,904,926,934,946,948,968,973,983 +0407_00065 7,20,21,134,141,147,148,153,226,293,304,347,353,369,371,381,430,476,489,505,508,515,526,544,550,551,598,626,640,663,712,717,727,735,737,825,850,872,948,968,994 +0407_00066 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0407_00067 4,15,16,17,26,93,134,245,263,283,326,328,335,347,353,358,379,387,438,461,500,508,515,529,549,602,626,629,640,661,676,683,705,707,748,750,752,759,778,797,798,807,827,835,856,877,918,922,935,947,948,968,970,984,1006,1007 +0407_00068 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0407_00069 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0407_00070 4,11,15,16,17,26,93,133,134,223,245,284,326,328,335,347,353,379,438,461,500,508,515,529,549,602,626,640,661,676,683,705,707,748,750,759,778,797,798,807,827,835,856,918,922,935,947,948,968,984,1006,1007 diff --git a/processed_data/0407/0407_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0407/0407_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..f331f885c --- /dev/null +++ b/processed_data/0407/0407_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 20,93,94,107,118,141,153,207,231,250,259,261,341,441,481,490,508,626,635,642,657,659,679,698,704,727,756,778,833,915 +0407_00002 15,20,32,79,89,94,139,233,237,474,508,590,614,626,662,677,727,772 +0407_00003 20,94,107,141,199,207,241,406,481,508,544,626,727,750,802,948 +0407_00004 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 +0407_00005 98,134,188,206,223,240,245,249,317,405,422,479,506,508,517,532,580,582,654,662,727,778,787,884,950,968,981,984,1012 +0407_00006 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0407_00007 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0407_00008 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0407_00009 3,15,17,40,73,89,134,182,214,231,288,328,337,353,371,387,394,413,415,444,461,511,515,534,540,552,564,569,588,592,606,626,640,648,676,750,752,759,888,904,936,941,947,968,1019 +0407_00010 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0407_00011 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0407_00012 11,20,21,94,107,134,139,141,147,148,207,226,262,304,327,329,341,347,353,369,371,373,381,390,430,476,497,508,515,550,551,598,626,640,712,717,727,735,737,790,825,832,850,869,968,976,978 +0407_00013 5,15,17,24,40,42,54,73,86,89,106,110,129,134,168,182,226,228,231,263,353,369,371,381,394,413,444,461,476,494,503,507,515,519,534,540,544,550,552,570,580,586,588,594,623,626,640,676,701,715,719,728,732,750,759,787,823,828,841,888,894,904,905,936,941,947,951,968,980,1004,1005,1015 +0407_00014 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0407_00015 5,11,15,17,24,26,38,39,40,42,54,73,89,108,129,134,135,158,162,167,168,226,228,240,267,314,324,353,357,365,368,369,375,381,417,432,444,461,465,475,476,503,515,519,530,534,540,550,552,594,626,640,644,667,676,701,717,719,728,750,759,779,810,839,852,888,895,919,928,936,941,947,951,952,963,968,980,995,1015 +0407_00016 5,15,17,20,24,40,42,54,73,86,89,106,110,129,134,168,182,226,228,231,263,314,353,369,371,381,394,413,444,461,476,494,503,507,515,519,534,540,550,552,570,580,586,588,594,623,626,640,642,643,676,701,715,719,728,732,750,759,787,823,841,888,894,904,936,941,947,951,968,980,1004,1005,1015 +0407_00017 11,20,43,72,94,100,107,118,134,139,141,207,215,261,304,347,382,390,497,508,550,551,620,623,626,640,676,688,712,717,727,733,737,741,752,763,814,825,850,855,947,968,976,978 +0407_00018 5,15,17,24,39,40,42,54,73,89,106,110,129,134,168,182,226,228,231,314,353,365,369,381,444,461,465,476,503,507,515,519,534,540,544,550,552,570,580,586,594,623,626,640,667,676,701,715,717,719,728,732,750,759,787,828,841,852,888,895,905,936,941,947,951,968,980,1004,1005,1015 +0407_00019 15,17,39,40,73,89,134,182,231,252,328,337,353,367,387,415,444,461,465,511,515,534,540,552,564,592,606,626,640,648,667,676,698,719,726,728,750,752,759,888,936,941,947,968,1008,1019 +0407_00020 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0407_00021 11,20,43,72,94,100,107,118,134,139,141,207,215,261,304,347,382,390,497,508,550,551,620,623,626,640,676,688,712,717,727,733,737,741,752,763,814,825,850,855,947,968,976,978 +0407_00022 25,76,96,134,146,153,175,220,236,272,326,381,408,476,487,503,506,508,542,550,563,569,609,626,654,662,666,689,713,714,723,741,786,797,822,968,1008,1010 +0407_00023 5,15,17,20,24,39,40,42,54,73,89,106,110,129,134,168,182,226,228,231,314,353,365,369,381,444,461,465,476,503,507,515,519,534,540,550,552,570,580,586,594,623,626,640,642,643,667,676,701,715,717,719,728,732,750,759,787,841,852,888,895,936,941,947,951,968,980,1004,1005,1015 +0407_00024 4,20,60,94,95,107,134,139,141,147,148,171,201,207,226,264,304,347,353,362,382,390,497,508,515,531,542,549,550,551,626,640,666,705,712,717,727,735,737,747,778,825,850,858,872,910,931,936,948,968,976,990,999 +0407_00025 17,72,83,85,89,93,126,134,139,142,153,168,197,200,216,220,231,239,265,277,300,311,326,328,335,336,342,347,351,353,400,438,440,442,461,476,493,515,521,533,553,557,562,592,602,616,622,626,640,648,656,661,676,677,682,689,705,719,743,752,765,794,936,947,948,968,970,974,983 +0407_00026 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0407_00027 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0407_00028 4,17,20,72,83,85,89,93,126,134,139,142,153,168,197,200,216,220,231,239,265,277,300,311,326,328,335,336,342,347,351,353,358,387,400,438,440,442,461,493,515,521,529,533,549,553,557,562,602,616,622,626,629,640,656,661,676,677,682,689,705,707,719,743,752,765,778,856,877,936,947,948,968,970,974,983 +0407_00029 20,23,134,151,153,211,219,298,328,347,353,396,442,505,508,515,544,592,626,640,648,663,727,736,752,878,897,948,968,994,1011 +0407_00030 15,17,20,23,40,51,73,86,89,129,134,151,182,206,211,212,226,227,228,231,253,322,328,337,347,353,369,381,387,396,415,444,453,461,476,503,508,511,515,534,540,550,552,564,579,592,594,626,640,648,676,727,750,752,759,761,762,870,888,894,897,920,947,951,968,1011,1019 +0407_00031 4,17,43,72,83,85,89,93,126,134,139,142,153,168,197,200,201,216,220,226,237,239,265,277,300,311,326,335,336,342,347,351,353,400,438,440,442,461,493,515,521,533,549,550,553,557,562,602,616,622,626,640,662,665,666,676,677,682,689,705,707,719,743,765,778,858,861,936,947,948,968,974,979,983 +0407_00032 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0407_00033 4,17,20,72,83,85,89,93,126,133,134,139,142,153,168,197,200,216,220,223,239,265,277,284,300,311,326,328,335,336,342,347,351,353,400,438,440,442,461,493,515,521,533,549,553,557,562,602,616,622,626,640,656,661,676,677,682,689,705,707,719,743,765,769,778,856,936,947,948,968,974,983 +0407_00034 15,17,20,23,40,51,73,86,89,134,151,177,182,206,211,212,227,231,322,328,337,347,353,387,396,415,444,453,461,508,511,515,534,540,552,564,579,592,602,606,626,640,648,676,727,750,752,759,761,762,888,894,897,920,941,947,968,1011,1019 +0407_00035 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0407_00036 17,23,26,72,85,89,93,122,134,153,160,200,212,216,220,260,300,304,311,320,326,347,351,405,442,461,486,493,515,533,550,557,562,602,620,626,640,676,686,689,712,719,733,741,743,763,787,792,804,813,825,850,870,875,907,936,947,968,974,1005 +0407_00037 7,15,16,17,20,21,30,37,89,92,94,134,149,204,220,245,247,263,314,328,330,335,347,353,416,419,438,461,493,500,508,515,523,529,533,538,562,592,619,626,640,648,661,676,677,683,719,727,745,748,750,752,759,779,794,798,799,807,827,865,872,883,918,935,936,947,968,970,974,996,1006 +0407_00038 1,17,20,72,83,89,93,126,134,139,142,153,168,177,197,200,220,231,239,263,265,277,279,300,328,335,336,342,347,351,353,400,438,440,442,461,476,493,508,511,515,517,521,533,544,553,555,557,562,592,616,622,626,640,648,656,661,662,663,676,677,682,705,719,727,752,762,765,794,886,936,947,948,968,970,974,983,989 +0407_00039 15,16,17,21,30,85,89,92,134,153,200,216,220,245,263,311,326,328,330,335,347,351,353,416,419,438,442,461,493,500,508,515,523,529,533,538,562,592,602,619,626,640,648,661,676,683,689,694,719,743,745,748,750,752,759,794,798,807,827,864,872,918,935,936,947,968,970,974,996,1006 +0407_00040 4,5,10,21,79,85,89,90,92,93,119,125,133,134,153,178,186,200,204,216,220,222,223,263,267,278,284,300,311,326,328,329,335,347,351,442,452,461,485,493,513,515,522,529,533,549,557,561,562,602,626,640,642,651,680,681,689,705,707,717,719,728,733,743,748,778,798,807,817,856,903,907,914,936,948,968,974,981,984,996,1005,1008 +0407_00041 1,17,20,43,72,83,89,93,126,134,139,142,153,168,177,197,200,220,226,237,239,263,265,277,279,300,335,336,342,347,351,353,361,369,381,400,438,440,442,461,476,493,507,508,511,515,517,521,533,544,550,553,555,557,562,616,622,626,640,662,663,665,676,677,682,705,719,727,762,765,775,886,936,947,948,968,970,974,983,989 +0407_00042 1,4,17,20,39,72,83,89,126,134,139,142,153,168,181,191,197,220,231,239,265,277,311,328,335,336,342,347,353,358,387,400,416,425,438,440,452,461,493,508,515,521,529,533,544,549,552,553,555,562,616,622,626,629,640,656,661,676,677,682,705,707,719,721,727,745,750,752,762,778,785,791,856,877,886,936,947,948,968,970,974,983,989,994 +0407_00043 15,17,39,57,73,89,129,134,145,231,245,332,334,353,413,461,490,491,508,515,529,533,534,550,573,596,607,620,626,640,661,668,676,683,733,735,750,759,827,831,849,888,917,936,947,968 +0407_00044 4,21,26,63,76,85,89,92,93,94,101,105,119,133,134,153,178,179,186,200,216,220,223,241,245,267,270,278,284,300,311,326,328,335,347,351,442,461,491,493,508,513,515,517,533,549,557,562,602,609,626,640,679,681,689,705,707,708,719,743,748,749,778,798,807,817,823,828,850,852,856,934,936,946,948,959,968,974,981,984,996 +0407_00045 8,15,17,20,57,73,80,89,94,107,129,134,170,192,220,226,245,321,334,347,353,355,363,425,435,461,473,486,493,508,515,529,534,550,562,568,573,596,601,602,604,626,635,640,661,670,676,677,683,705,713,719,720,724,727,735,750,759,783,790,831,837,849,858,872,905,936,947,950,968,974,995,998,1006 +0407_00046 15,16,17,21,30,85,89,92,93,134,153,195,200,216,220,226,245,269,278,300,311,326,330,335,347,351,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,602,626,640,648,661,676,683,689,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0407_00047 15,16,17,21,30,85,89,92,134,153,195,200,216,220,226,229,245,269,278,300,311,323,326,330,335,347,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,703,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0407_00048 1,4,17,20,43,72,83,89,93,126,134,139,142,153,168,177,197,200,201,220,226,237,239,263,265,277,279,300,335,336,342,347,351,353,400,438,440,442,461,493,508,511,515,517,521,533,544,549,550,553,555,557,562,616,622,626,640,662,663,665,666,676,677,682,705,707,719,727,762,765,778,858,861,886,936,947,948,968,974,979,983,989 +0407_00049 1,4,17,20,72,83,89,93,126,133,134,139,142,153,168,177,197,200,220,223,239,263,265,277,279,284,300,328,335,336,342,347,351,353,400,438,440,442,461,493,508,511,515,517,521,533,544,549,553,555,557,562,616,622,626,640,656,661,662,663,676,677,682,705,707,719,727,762,765,769,778,856,886,936,947,948,968,974,983,989 +0407_00050 17,23,26,72,85,89,93,122,134,153,160,200,212,216,220,260,300,304,311,320,326,347,351,405,442,461,486,493,515,533,550,557,562,602,620,626,640,676,686,689,712,719,733,741,743,763,787,792,804,813,825,850,870,875,907,936,947,968,974,1005 +0407_00051 4,15,16,17,21,85,87,89,110,134,153,171,181,220,245,263,269,311,326,328,330,335,347,351,353,358,387,400,402,410,418,419,438,442,461,477,500,508,515,529,538,549,562,626,629,640,648,661,676,683,689,705,707,709,719,743,748,750,752,759,778,798,807,827,856,867,872,875,877,918,935,936,947,948,968,970,974,984,996,1006 +0407_00052 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +0407_00053 7,17,20,27,72,83,89,93,126,134,139,141,142,153,168,177,197,200,220,231,239,261,265,277,279,293,300,304,328,331,335,336,342,347,351,353,400,438,440,442,461,476,479,493,508,511,515,517,521,533,544,550,551,553,555,557,562,592,616,620,622,626,640,648,656,661,663,676,677,682,686,705,712,717,719,727,733,737,741,752,763,765,794,825,850,855,936,947,948,968,970,974,983 +0407_00054 15,16,17,26,93,134,245,263,326,328,335,353,379,438,461,500,508,515,529,592,602,626,640,648,661,676,683,722,748,750,752,759,794,797,798,807,827,835,918,922,935,947,968,970,1006,1007 +0407_00055 7,15,16,17,20,21,30,37,89,92,94,134,149,195,204,219,220,245,247,300,330,335,347,350,353,395,419,438,461,493,499,500,508,515,523,529,533,550,557,562,620,626,640,648,661,676,677,683,719,727,733,748,750,759,779,780,798,799,827,865,872,884,918,935,936,947,968,974,996,1006 +0407_00056 4,7,17,20,27,72,83,89,93,126,134,139,141,142,153,168,177,197,200,220,231,239,261,265,277,279,293,300,304,328,331,335,336,342,347,351,353,358,387,400,438,440,442,461,479,493,508,511,515,517,521,529,533,544,549,550,551,553,555,557,562,616,620,622,626,629,640,656,661,663,676,677,682,686,705,707,712,717,719,727,733,737,741,752,763,765,778,825,850,855,856,877,936,947,948,968,970,974,983 +0407_00057 15,16,17,21,30,85,89,92,93,134,153,200,216,219,220,245,278,300,311,326,330,335,347,350,351,353,395,419,438,442,461,493,499,500,508,515,523,529,533,550,557,562,602,620,626,640,648,661,676,683,689,719,733,743,748,750,759,780,798,827,872,918,935,936,947,968,974,996,1006 +0407_00058 20,30,32,72,75,76,89,93,134,136,141,153,162,168,173,177,186,195,200,220,223,226,230,231,245,246,247,261,269,270,279,285,300,304,335,345,347,351,353,361,364,366,369,381,442,443,461,476,493,497,508,511,513,515,517,533,544,547,550,551,555,557,562,594,612,620,623,626,640,643,647,663,676,683,696,712,719,733,741,742,748,753,763,798,810,811,817,825,850,876,882,934,936,947,968,970,974,985,1007,1020 +0407_00059 4,15,16,17,21,30,85,89,92,93,134,153,200,201,216,220,226,245,269,272,278,300,311,326,330,335,347,351,353,385,419,438,442,461,493,500,508,515,523,529,533,549,550,557,562,591,602,626,640,648,661,662,666,676,683,689,705,707,719,743,748,750,759,778,798,811,827,858,872,918,935,936,947,948,968,974,979,996,1006 +0407_00060 4,7,17,20,27,72,83,85,87,89,101,124,126,133,134,139,141,142,153,220,223,239,261,265,277,284,293,294,304,328,335,336,342,347,353,386,400,411,438,440,461,479,508,515,521,544,548,549,550,551,553,555,562,616,620,622,624,626,629,640,656,661,663,676,677,682,693,704,705,707,712,717,719,727,733,737,741,763,769,778,812,825,850,855,856,891,936,947,948,968,974,983 +0407_00061 4,15,16,17,21,85,87,89,110,133,134,153,171,178,181,220,223,245,269,284,311,326,328,330,335,347,351,353,400,402,410,419,438,442,461,477,500,508,515,529,538,549,562,626,640,648,661,676,683,689,705,707,709,719,743,748,750,759,778,798,807,827,856,867,872,875,918,935,936,947,948,968,974,984,996,1006 +0407_00062 4,7,17,20,27,43,72,83,89,93,126,134,139,141,142,153,168,177,197,200,201,220,226,237,239,261,265,277,279,293,300,304,331,335,336,342,347,351,353,400,438,440,442,461,479,493,508,511,515,517,521,533,544,549,550,551,553,555,557,562,616,620,622,626,640,662,663,665,666,676,677,682,686,705,707,712,717,719,727,733,737,741,763,765,778,825,850,855,858,861,936,947,948,968,974,979,983 +0407_00063 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0407_00064 15,20,26,50,92,94,116,134,148,149,183,212,220,245,264,318,330,375,379,469,486,499,502,508,513,522,551,626,708,722,727,762,772,809,850,855,865,904,934,946,948,968,973,1012 +0407_00065 7,20,21,134,141,147,148,153,226,293,304,347,353,369,371,381,430,476,489,505,508,515,526,544,550,551,598,626,640,663,712,717,727,735,737,825,850,872,948,968,994 +0407_00066 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0407_00067 4,15,16,17,26,93,134,245,263,283,326,328,335,347,353,358,379,387,438,461,500,508,515,529,549,602,626,629,640,661,676,683,705,707,748,750,752,759,778,797,798,807,827,835,856,877,918,922,935,947,948,968,970,984,1006,1007 +0407_00068 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0407_00069 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0407_00070 4,11,15,16,17,26,93,133,134,223,245,284,326,328,335,347,353,379,438,461,500,508,515,529,549,602,626,640,661,676,683,705,707,748,750,759,778,797,798,807,827,835,856,918,922,935,947,948,968,984,1006,1007 diff --git a/processed_data/0407/0407_fingerprints_maccs_canonical_success.tsv b/processed_data/0407/0407_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..296d8be9c --- /dev/null +++ b/processed_data/0407/0407_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0407_00002 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0407_00003 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0407_00004 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0407_00005 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0407_00006 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0407_00007 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0407_00008 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0407_00009 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00010 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00011 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0407_00012 53,54,72,89,99,113,123,126,127,131,136,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00013 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00014 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0407_00015 53,54,57,62,72,89,90,98,101,104,105,112,113,120,123,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00016 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00017 53,54,72,89,99,113,123,126,127,131,136,139,140,143,146,152,154,157,159,162,163,164,165 +0407_00018 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00019 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00020 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00021 53,54,72,89,99,113,123,126,127,131,136,139,140,143,146,152,154,157,159,162,163,164,165 +0407_00022 39,40,47,48,51,54,55,58,59,60,61,64,65,67,69,73,81,82,83,88,90,91,95,96,102,104,105,106,109,112,121,124,130,131,132,136,137,139,140,144,146,147,148,150,151,153,155,156,157,159,161,162,163,164,165 +0407_00023 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00024 53,54,72,89,93,99,113,123,126,127,131,136,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0407_00025 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00026 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00027 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00028 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0407_00029 53,54,72,89,109,113,114,123,126,127,131,139,140,143,144,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00030 53,54,57,62,72,89,90,98,105,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00031 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0407_00032 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0407_00033 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0407_00034 53,54,57,62,72,89,90,98,105,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00035 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0407_00036 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00037 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00038 49,53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00039 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00040 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00041 49,53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00042 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00043 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00044 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00045 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00046 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00047 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00048 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00049 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00050 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00051 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00052 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00053 49,53,54,57,62,72,89,90,91,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00054 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00055 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00056 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00058 49,53,54,57,62,72,89,90,91,98,99,105,109,113,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00059 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00060 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00061 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00062 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00063 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0407_00064 50,66,74,76,90,99,108,112,115,123,127,131,132,136,139,140,141,143,146,149,150,152,154,157,159,160,163,164,165 +0407_00065 54,72,99,109,113,114,123,126,127,131,139,140,143,144,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00066 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00067 53,54,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0407_00068 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00069 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0407_00070 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0407/0407_fingerprints_maccs_isomeric_success.tsv b/processed_data/0407/0407_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..296d8be9c --- /dev/null +++ b/processed_data/0407/0407_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0407_00002 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0407_00003 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0407_00004 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0407_00005 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0407_00006 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0407_00007 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0407_00008 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0407_00009 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00010 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00011 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0407_00012 53,54,72,89,99,113,123,126,127,131,136,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00013 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00014 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0407_00015 53,54,57,62,72,89,90,98,101,104,105,112,113,120,123,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00016 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00017 53,54,72,89,99,113,123,126,127,131,136,139,140,143,146,152,154,157,159,162,163,164,165 +0407_00018 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00019 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00020 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00021 53,54,72,89,99,113,123,126,127,131,136,139,140,143,146,152,154,157,159,162,163,164,165 +0407_00022 39,40,47,48,51,54,55,58,59,60,61,64,65,67,69,73,81,82,83,88,90,91,95,96,102,104,105,106,109,112,121,124,130,131,132,136,137,139,140,144,146,147,148,150,151,153,155,156,157,159,161,162,163,164,165 +0407_00023 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00024 53,54,72,89,93,99,113,123,126,127,131,136,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0407_00025 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00026 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0407_00027 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0407_00028 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0407_00029 53,54,72,89,109,113,114,123,126,127,131,139,140,143,144,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00030 53,54,57,62,72,89,90,98,105,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00031 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0407_00032 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0407_00033 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0407_00034 53,54,57,62,72,89,90,98,105,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00035 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0407_00036 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00037 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00038 49,53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00039 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00040 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00041 49,53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00042 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00043 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00044 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00045 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00046 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00047 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00048 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00049 49,53,54,57,62,72,89,90,91,93,98,105,109,113,116,120,123,125,126,127,131,132,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00050 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0407_00051 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00052 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00053 49,53,54,57,62,72,89,90,91,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00054 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00055 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00056 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00058 49,53,54,57,62,72,89,90,91,98,99,105,109,113,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0407_00059 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00060 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00061 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00062 49,53,54,57,62,72,89,90,91,93,98,99,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00063 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0407_00064 50,66,74,76,90,99,108,112,115,123,127,131,132,136,139,140,141,143,146,149,150,152,154,157,159,160,163,164,165 +0407_00065 54,72,99,109,113,114,123,126,127,131,139,140,143,144,146,150,152,153,154,155,157,159,160,162,163,164,165 +0407_00066 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00067 53,54,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0407_00068 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0407_00069 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0407_00070 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0407/0407_fingerprints_pubchem_canonical_success.tsv b/processed_data/0407/0407_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..1a23f1935 --- /dev/null +++ b/processed_data/0407/0407_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0407_00002 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0407_00003 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0407_00004 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0407_00005 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0407_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0407_00007 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0407_00008 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0407_00009 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00010 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0407_00011 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0407_00012 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00013 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00014 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0407_00015 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,199,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00016 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00017 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,709,710,711,715,778 +0407_00018 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00019 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00020 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00021 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,709,710,711,715,778 +0407_00022 10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,309,333,334,341,345,347,352,353,354,356,357,358,359,367,371,372,377,378,384,385,386,387,388,391,393,394,397,400,401,404,407,409,415,417,419,431,432,435,438,442,443,447,450,454,458,459,460,465,466,469,471,473,474,476,479,482,483,491,496,503,507,517,521,524,525,528,531,532,539,540,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0407_00023 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00024 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,606,607,609,615,618,619,620,627,631,632,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00025 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00026 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00027 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00029 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0407_00030 10,11,12,13,19,20,21,22,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00032 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0407_00033 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00034 10,11,12,13,19,20,21,22,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00035 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0407_00036 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,778,799,804 +0407_00037 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00038 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00039 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00040 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,259,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0407_00041 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00042 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00043 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00044 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,259,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0407_00045 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00046 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00047 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00048 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00049 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00050 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,778,799,804 +0407_00051 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00052 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0407_00053 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00054 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00055 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00056 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00057 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00058 10,11,12,13,19,20,21,22,179,180,182,183,185,186,187,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00059 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00060 10,11,12,13,14,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00061 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00062 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00063 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0407_00064 10,11,12,19,20,21,179,183,284,285,287,309,333,334,335,338,342,345,353,375,381,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,583,600,618,620,638,641,661,665,668,672,679,680,681,685,687,689,693,709,710,711,712,713 +0407_00065 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,641,642,652,656,661,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00066 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00067 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00068 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00069 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00070 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 diff --git a/processed_data/0407/0407_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0407/0407_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..1a23f1935 --- /dev/null +++ b/processed_data/0407/0407_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,71 @@ +id bits.on +0407_00001 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0407_00002 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0407_00003 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0407_00004 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0407_00005 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0407_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0407_00007 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0407_00008 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0407_00009 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00010 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0407_00011 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0407_00012 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00013 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00014 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0407_00015 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,199,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00016 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00017 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,709,710,711,715,778 +0407_00018 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00019 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00020 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00021 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,549,553,554,557,565,568,571,572,574,575,579,580,582,583,585,591,595,596,600,604,606,607,609,615,618,619,620,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,709,710,711,715,778 +0407_00022 10,11,12,15,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,309,333,334,341,345,347,352,353,354,356,357,358,359,367,371,372,377,378,384,385,386,387,388,391,393,394,397,400,401,404,407,409,415,417,419,431,432,435,438,442,443,447,450,454,458,459,460,465,466,469,471,473,474,476,479,482,483,491,496,503,507,517,521,524,525,528,531,532,539,540,546,547,550,553,556,557,565,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,759,822 +0407_00023 10,11,12,13,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0407_00024 10,11,12,19,20,21,22,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,579,580,582,583,585,590,591,595,596,600,604,605,606,607,609,615,618,619,620,627,631,632,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,687,688,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00025 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00026 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00027 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00029 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0407_00030 10,11,12,13,19,20,21,22,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00032 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0407_00033 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00034 10,11,12,13,19,20,21,22,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00035 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0407_00036 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,778,799,804 +0407_00037 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00038 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00039 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00040 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,259,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0407_00041 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00042 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00043 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00044 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,259,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,441,442,444,447,449,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,757,762,778,799,804,820,825 +0407_00045 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00046 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00047 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00048 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00049 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00050 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,611,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,778,799,804 +0407_00051 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00052 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0407_00053 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00054 10,11,12,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00055 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00056 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00057 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00058 10,11,12,13,19,20,21,22,179,180,182,183,185,186,187,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00059 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00060 10,11,12,13,14,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00061 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00062 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,207,256,257,258,260,262,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00063 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0407_00064 10,11,12,19,20,21,179,183,284,285,287,309,333,334,335,338,342,345,353,375,381,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,583,600,618,620,638,641,661,665,668,672,679,680,681,685,687,689,693,709,710,711,712,713 +0407_00065 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,641,642,652,656,661,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0407_00066 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00067 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00068 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0407_00069 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0407_00070 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 diff --git a/processed_data/0407/0407_gradient.tsv b/processed_data/0407/0407_gradient.tsv new file mode 100644 index 000000000..5f7ea2acd --- /dev/null +++ b/processed_data/0407/0407_gradient.tsv @@ -0,0 +1,7 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 100 0 +1 0.28 100 0 +3 0.28 90 10 +18 0.28 60 40 +21 0.28 0 100 +25.5 0.28 0 100 diff --git a/processed_data/0407/0407_info.tsv b/processed_data/0407/0407_info.tsv new file mode 100644 index 000000000..85793d99f --- /dev/null +++ b/processed_data/0407/0407_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0407 10.1021/acs.jafc.0c00879 Submitted by Fangyuan Sun Panagiotis Arapitsas,Maurizio Ugliano,Matteo Marangon,Paola Piombino,Luca Rolle,Vincenzo Gerbi,Andrea Versari,Fulvio Mattivi ROASMI_33 diff --git a/processed_data/0407/0407_metadata.tsv b/processed_data/0407/0407_metadata.tsv new file mode 100644 index 000000000..893bcf76e --- /dev/null +++ b/processed_data/0407/0407_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0407 Waters ACQUITY UPLC HSS T3 L1 150 2.1 1.8 40 0.28 1.18125 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 100 0 0 diff --git a/processed_data/0407/0407_report_canonical.pdf b/processed_data/0407/0407_report_canonical.pdf new file mode 100644 index 000000000..0a1424582 Binary files /dev/null and b/processed_data/0407/0407_report_canonical.pdf differ diff --git a/processed_data/0407/0407_report_isomeric.pdf b/processed_data/0407/0407_report_isomeric.pdf new file mode 100644 index 000000000..8040af902 Binary files /dev/null and b/processed_data/0407/0407_report_isomeric.pdf differ diff --git a/processed_data/0407/0407_rtdata_canonical_success.tsv b/processed_data/0407/0407_rtdata_canonical_success.tsv new file mode 100644 index 000000000..1b89dc1b2 --- /dev/null +++ b/processed_data/0407/0407_rtdata_canonical_success.tsv @@ -0,0 +1,71 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0407_00001 C6H14N4O2 1.2 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00002 C5H9NO2 1.49 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00003 C5H11NO2 2.07 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00004 C10H17N3O6S 2.46 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0407_00005 C5H4N4O2 3.94 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0407_00006 C9H11NO3 4.05 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00007 C6H13NO2 4.21 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00008 C9H11NO2 5.95 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0407_00009 C15H14O7 6.46 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 XMOCLSLCDHWDHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00010 C7H6O5 6.83 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0407_00011 C9H17NO5 7.04 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0407_00012 C13H12O9 7.71 C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21) SWGKAHCIOQPKFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0407_00013 C30H26O12 8.12 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0407_00014 C11H12N2O2 8.26 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0407_00015 C30H24O12 8.34 C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2 NSEWTSAADLNHNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0407_00016 C30H26O12 8.35 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0407_00017 C13H12O8 9.29 C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20) INYJZRKTYXTZHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acid esters (CHEMONTID:0003002) Coumaric acid esters (CHEMONTID:0000465) +0407_00018 C30H26O12 9.39 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0407_00019 C15H14O7 9.4 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2 XMOCLSLCDHWDHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00020 C15H14O6 9.62 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00021 C13H12O8 9.66 C1=CC(=CC=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20) INYJZRKTYXTZHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acid esters (CHEMONTID:0003002) Coumaric acid esters (CHEMONTID:0000465) +0407_00022 C10H11NO4S 10.51 C1=CC=C2C(=C1)C(=C(N2)S(=O)(=O)O)CCO InChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15) ZYURVYKNOZACDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0407_00023 C30H26O12 10.57 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0407_00024 C14H14O9 10.89 COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21) XIWXUSFCUBAMFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0407_00025 C21H21O12 11.27 C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 XENHPQQLDPAYIJ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00026 C9H8O4 11.74 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0407_00027 C15H14O6 12.59 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00028 C22H23O12 13.35 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1 CCQDWIRWKWIUKK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00029 C9H10O5 14.2 CCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 VFPFQHQNJCMNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0407_00030 C22H18O10 14.43 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2 LSHVYAFMTMFKBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00031 C22H23O11 14.55 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1 ZZWPMFROUHHAKY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00032 C17H20N4O6 14.6 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0407_00033 C23H25O12 14.79 COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1 PXUQTDZNOHRWLI-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00034 C22H18O11 15.18 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2 WMBWREPUVVBILR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00035 C11H11NO3 15.34 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0407_00036 C20H22O8 15.77 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2 HSTZMXCBWJGKHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0407_00037 C21H18O14 16.57 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32) MBWOCQLTCWTIJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0407_00038 C23H23O13 16.87 CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1 QPXIWIXIRHZIMM-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00039 C21H20O13 16.98 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2 FOHXFLPXBUAOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00040 C25H25O12 17.74 COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,28-31H,9H2,1-2H3/p+1 MQBZYHDAWXXFLB-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00041 C23H23O12 18.14 CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1 HBXXDBKJLPLXPR-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00042 C24H25O13 18.4 CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)O)O)O)O)O)O InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1 GPUBWXUQPURXOQ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00043 C15H12O6 18.55 C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H PADQINQHPQKXNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0407_00044 C26H25O14 18.64 COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=O)C=C4OC(=C3C=[OH+])O)O2)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28,30-34H,8H2,1-2H3/p+1 HSMQGFKDKCAJDR-UHFFFAOYSA-O +0407_00045 C21H20O13 18.97 C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31) HXJMVCQRRSNMPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0407_00046 C21H20O12 19.06 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00047 C21H20O12 19.41 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00048 C24H25O12 19.53 CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)OC)O)O)O)O)O InChI=1S/C24H24O12/c1-10(25)33-9-19-20(29)21(30)22(31)24(36-19)35-18-8-13-15(28)6-12(26)7-16(13)34-23(18)11-3-4-14(27)17(5-11)32-2/h3-8,19-22,24,29-31H,9H2,1-2H3,(H2-,26,27,28)/p+1 MBSKDCPWFSMEFD-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00049 C25H27O13 19.59 CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)OC)O)O)O)O)O InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1 WGYWEDJQQFKGID-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00050 C20H22O8 19.61 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2 HSTZMXCBWJGKHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0407_00051 C22H22O13 19.65 COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3 ODXINVOINFDDDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides 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C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 LSHVYAFMTMFKBA-TZIWHRDSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00031 C22H23O11 14.55 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 ZZWPMFROUHHAKY-OUUKCGNVSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid 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polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00034 C22H18O11 15.18 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 WMBWREPUVVBILR-WIYYLYMNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0407_00035 C11H11NO3 15.34 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0407_00036 C20H22O8 15.77 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 HSTZMXCBWJGKHG-CUYWLFDKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0407_00037 C21H18O14 16.57 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)C(=O)O)O)O)O InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14?,15-,16?,19-,21+/m0/s1 MBWOCQLTCWTIJE-ROQVLGAUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0407_00038 C23H23O13 16.87 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1 QPXIWIXIRHZIMM-OXUVVOBNSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00039 C21H20O13 16.98 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17?,18?,21+/m1/s1 FOHXFLPXBUAOJM-ICSFOJPJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00040 C25H25O12 17.74 COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=[OH+])C=C4O2)OC=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,28-31H,9H2,1-2H3/p+1/t17-,20-,21+,22-,25+/m1/s1 MQBZYHDAWXXFLB-FHBCLOHASA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00041 C23H23O12 18.14 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1 HBXXDBKJLPLXPR-ZFVIQDPVSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00042 C24H25O13 18.4 CC(=O)OCC1[C@H](C(C([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)O)O)O)O)O)O InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18?,20-,21?,22?,24-/m1/s1 GPUBWXUQPURXOQ-FUQWYEMFSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00043 C15H12O6 18.55 C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1 PADQINQHPQKXNL-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0407_00044 C26H25O14 18.64 COC1=CC(=CC(=C1O)OC)C2=C(C3=C4C(=CC(=O)C=C4OC(=C3C=[OH+])O)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28,30-34H,8H2,1-2H3/p+1/t16-,20-,21+,22-,26+/m1/s1 HSMQGFKDKCAJDR-DMRYIZGCSA-O +0407_00045 C21H20O13 18.97 C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O InChI=1S/C21H20O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14-19,21-24,26-29H,(H,30,31) HXJMVCQRRSNMPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0407_00046 C21H20O12 19.06 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-QSOFNFLRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00047 C21H20O12 19.41 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-DTGCRPNFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00048 C24H25O12 19.53 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)OC)O)O)O)O)O InChI=1S/C24H24O12/c1-10(25)33-9-19-20(29)21(30)22(31)24(36-19)35-18-8-13-15(28)6-12(26)7-16(13)34-23(18)11-3-4-14(27)17(5-11)32-2/h3-8,19-22,24,29-31H,9H2,1-2H3,(H2-,26,27,28)/p+1/t19-,20-,21+,22-,24-/m1/s1 MBSKDCPWFSMEFD-WKKMNAASSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00049 C25H27O13 19.59 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C(=C4)OC)O)OC)O)O)O)O)O InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21-,22+,23-,25-/m1/s1 WGYWEDJQQFKGID-FGBFUVBKSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0407_00050 C20H22O8 19.61 C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1 HSTZMXCBWJGKHG-BUFXCDORSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0407_00051 C22H22O13 19.65 COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4C(C([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18?,19?,22-/m1/s1 ODXINVOINFDDDD-BCXICDMVSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00052 C14H6O8 19.84 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) +0407_00053 C30H27O14 20.01 C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1 DHTPVCYNNWQRMN-LHRGPQAGSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid 3-O-p-coumaroyl glycosides (CHEMONTID:0003678) +0407_00054 C15H10O8 20.13 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0407_00055 C21H18O12 20.19 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1 FNTJVYCFNVUBOL-ZUGPOPFOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0407_00056 C31H29O14 20.19 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27-,28+,29-,31-/m1/s1 KTFQEFWNLAUGAX-VEZAKBLNSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid 3-O-p-coumaroyl glycosides (CHEMONTID:0003678) +0407_00057 C21H20O11 20.22 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 JPUKWEQWGBDDQB-QSOFNFLRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00058 C30H27O13 20.22 C1=CC(=CC=C1C=CC(=[OH+])OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30-31,33-35,37-39H,13H2/p+1/t24-,26-,27+,28-,30-/m1/s1 GZRFRVHXDLGUFY-SHPGVJHPSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid 3-O-p-coumaroyl glycosides (CHEMONTID:0003678) +0407_00059 C22H22O12 20.29 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1 CQLRUIIRRZYHHS-LFXZADKFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00060 C32H31O14 20.34 COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1/t25-,28-,29+,30-,32-/m0/s1 HXQOVGDXCHFLOP-VNAFEJHWSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid 3-O-p-coumaroyl glycosides (CHEMONTID:0003678) +0407_00061 C23H24O13 20.35 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4C(C([C@@H]([C@H](O4)CO)O)O)O InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3/t14-,17-,19?,20?,23-/m1/s1 JMFWYRWPJVEZPV-WKRUDVTBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0407_00062 C31H29O13 20.35 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O)O InChI=1S/C31H28O13/c1-40-23-10-16(5-8-20(23)34)30-24(13-19-21(35)11-18(33)12-22(19)42-30)43-31-29(39)28(38)27(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,27-29,31,37-39H,14H2,1H3,(H3-,32,33,34,35,36)/p+1/t25-,27-,28+,29-,31-/m1/s1 MFHMTMFSFNMTFQ-GVFKUQRYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid 3-O-p-coumaroyl glycosides (CHEMONTID:0003678) +0407_00063 C14H12O3 20.4 C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1- LUKBXSAWLPMMSZ-UPHRSURJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0407_00064 C15H20O4 20.62 CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1 JLIDBLDQVAYHNE-QHFMCZIYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Abscisic acids and derivatives (CHEMONTID:0002245) NA (NA) +0407_00065 C11H12O4 20.69 CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ WDKYDMULARNCIS-GQCTYLIASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Coumaric acids and derivatives (CHEMONTID:0000059) NA (NA) +0407_00066 C15H10O7 20.78 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0407_00067 C16H12O8 20.88 COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3 CFYMYCCYMJIYAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0407_00068 C15H10O6 21.17 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0407_00069 C16H12O7 21.22 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0407_00070 C17H14O8 21.27 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3 UZMAPBJVXOGOFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) diff --git a/processed_data/0407/0407_validation_qspr_outliers.tsv b/processed_data/0407/0407_validation_qspr_outliers.tsv new file mode 100644 index 000000000..3855e70aa --- /dev/null +++ b/processed_data/0407/0407_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0407_00045 8.113434551174114 diff --git a/processed_data/0408/0408_descriptors_canonical_success.tsv b/processed_data/0408/0408_descriptors_canonical_success.tsv new file mode 100644 index 000000000..07290cf5e --- /dev/null +++ b/processed_data/0408/0408_descriptors_canonical_success.tsv @@ -0,0 +1,83 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0408_00001 11.993511702959225 15.995921210637375 -0.34640802487808453 0.2762861106208434 4.046579748564851 8.37057680114076 0.42857142857142855 -2.811 169.1814190458465 0 3 1.68 5 8 12 1 23 0 0 -1.9208999999999996 3.6898568099999984 44.34040000000002 1 1 1 1 1 0 0 1 0 0 0 0 0.46674714417288216 56 211 12 23.133633348255835 1.9278027790213195 13.403351443206216 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134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0408_00008 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0408_00009 20,94,107,118,141,153,188,207,214,231,250,363,396,447,481,508,626,635,727,881,915,948,949,992,1015 +0408_00010 15,20,89,94,106,134,163,201,245,264,474,508,527,554,584,590,626,662,677,727,772,1022 +0408_00011 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0408_00012 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0408_00013 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0408_00014 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67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 +0408_00021 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0408_00022 10,19,56,65,89,134,139,153,172,192,230,254,294,305,311,319,326,327,330,336,347,374,405,416,422,436,461,464,467,481,486,524,525,549,558,566,580,625,626,629,678,690,694,719,728,755,783,791,798,874,887,911,919,936,948,959,960,968,974,975 +0408_00023 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0408_00024 20,94,153,348,370,480,508,530,626,727,752,778,863,976 +0408_00025 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0408_00026 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0408_00027 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0408_00028 20,62,94,96,128,134,141,145,153,182,207,230,257,270,281,421,478,480,481,487,508,516,550,555,558,588,626,635,674,692,727,864,871,917,927,968,970,989 +0408_00029 77,96,134,153,171,263,272,316,372,383,389,401,479,481,487,503,550,603,654,662,714,762,778,786,797,812,866,893,896,958,968 +0408_00030 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0408_00031 20,62,63,77,94,96,97,107,134,145,153,207,210,230,251,270,285,310,366,401,421,481,487,508,516,526,550,558,588,602,626,649,673,683,727,739,842,968,989 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15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0408_00039 20,76,90,94,107,110,134,141,153,182,207,222,236,254,270,281,419,481,492,508,516,532,550,558,582,620,626,635,640,676,697,727,733,739,802,819,867,868,917,947,948,952,961,968,970,989,994 +0408_00040 20,62,76,90,94,96,107,134,141,145,153,182,203,207,222,230,241,270,281,419,421,481,487,508,516,540,550,558,588,603,626,629,635,727,739,802,864,867,917,948,952,968,970,989 +0408_00041 4,73,88,89,134,148,151,153,170,220,289,295,304,311,312,319,326,327,330,346,347,369,383,435,461,473,515,549,550,562,583,597,626,660,685,705,709,712,714,719,724,743,778,787,790,791,825,850,905,921,931,936,939,948,950,968,974,978 +0408_00042 20,52,74,90,94,107,110,141,153,156,159,207,222,236,254,381,406,419,452,481,492,508,516,532,626,727,739,802,868,917,948,961,994,1024 +0408_00043 15,20,24,32,87,89,94,96,134,136,272,282,329,347,380,413,414,418,442,466,474,487,503,506,508,512,532,540,542,550,590,620,626,654,662,677,714,727,741,746,786,797,799,840,967,968,980,1018 +0408_00044 20,39,47,49,76,94,107,116,134,141,153,182,207,262,270,281,427,481,508,516,527,550,558,602,620,626,635,640,673,676,690,697,727,733,739,802,819,842,917,947,948,952,968,970,987,989 +0408_00045 1,4,10,73,89,120,134,153,160,170,220,239,289,304,311,312,319,326,327,330,346,347,369,435,461,473,495,515,549,551,562,597,626,660,705,719,722,724,743,744,778,787,791,810,825,850,888,921,931,936,948,968,974 +0408_00046 4,70,77,85,134,136,153,171,316,347,362,372,408,479,481,487,523,544,549,550,662,679,683,705,753,762,778,781,786,797,812,832,896,899,948,958,968,1008 +0408_00047 7,20,62,94,96,107,134,141,145,153,199,207,210,216,230,241,251,270,310,381,406,421,427,449,481,487,498,508,516,550,558,588,602,626,673,727,739,802,842,917,948,968,989,1023 +0408_00048 20,39,49,90,94,107,110,141,153,172,207,222,236,254,419,481,492,508,516,527,532,582,626,635,727,739,779,802,823,852,868,917,947,948,952,961,994 +0408_00049 4,15,54,73,89,134,137,151,153,170,182,192,193,195,220,245,248,274,301,311,326,327,330,346,347,369,400,435,452,461,473,508,515,544,549,562,566,568,597,626,660,674,705,719,724,743,748,778,787,790,791,839,845,856,905,936,948,958,968,974,1001,1016 +0408_00050 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0408_00051 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0408_00052 20,39,40,47,49,52,94,107,116,141,153,156,207,236,254,381,406,427,452,481,508,516,527,602,626,673,727,739,762,802,842,868,917,948,987,994,1024 +0408_00053 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0408_00054 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0408_00055 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0408_00056 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0408_00057 20,39,47,49,94,107,116,141,153,172,207,427,470,481,508,516,527,602,626,635,673,690,727,739,779,802,823,842,852,917,948,952,987 +0408_00058 77,96,116,134,147,153,168,171,198,233,236,238,254,272,278,319,340,347,372,481,487,524,549,550,612,654,670,714,719,760,849,852,948,958,968,1005,1006 +0408_00059 20,62,76,90,94,96,107,110,134,141,145,153,182,207,222,230,236,254,270,281,419,421,481,487,492,508,516,532,550,558,582,588,626,635,727,739,802,864,867,868,917,948,952,961,968,970,989,994 +0408_00060 20,52,62,94,96,107,134,141,145,153,156,207,210,230,236,251,254,270,310,381,406,421,427,449,452,481,487,498,508,516,550,558,588,602,626,673,727,739,762,802,842,868,917,948,968,989,994,1024 +0408_00061 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0408_00062 20,39,47,49,62,76,94,96,107,116,134,141,145,153,182,207,230,262,270,281,421,427,481,487,508,516,527,550,558,588,602,626,635,673,690,727,739,802,842,864,917,948,952,968,970,987,989 +0408_00063 20,39,49,62,94,96,107,134,141,145,153,172,207,210,230,251,270,310,421,427,470,481,487,498,508,516,527,550,558,588,602,626,635,673,727,732,739,779,802,823,842,852,917,948,952,968,989 +0408_00064 20,35,62,94,96,107,134,145,153,196,207,208,230,270,390,421,487,508,531,550,558,588,626,678,727,900,968,976,989 +0408_00065 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0408_00066 20,94,107,118,141,153,185,188,207,225,231,250,277,293,342,359,363,399,441,481,508,556,626,635,662,679,727,778,881,915,948,974,1015 +0408_00067 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0408_00068 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0408_00069 39,74,85,134,264,278,282,283,298,349,353,479,487,508,550,552,598,626,640,662,683,720,729,762,778,781,786,797,798,799,850,862,896,968 +0408_00070 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0408_00071 20,94,107,118,141,153,185,188,207,225,231,250,277,293,342,359,363,399,441,481,508,556,626,635,662,679,727,778,881,915,948,974,1015 +0408_00072 4,15,24,59,73,89,94,121,129,134,153,175,195,201,214,226,270,273,281,283,301,306,311,326,347,353,360,363,378,389,408,461,486,515,549,550,570,626,640,666,705,706,711,713,715,724,753,776,777,778,782,783,814,837,858,948,951,968,998,999 +0408_00073 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0408_00074 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0408_00075 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +0408_00076 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 +0408_00077 10,11,14,42,75,138,153,172,202,247,259,262,380,391,438,451,461,494,508,521,551,556,589,662,777,778,786,820,827,909,915,948 +0408_00078 15,20,26,44,58,60,77,89,94,136,153,161,173,175,207,222,229,231,243,244,261,276,285,318,330,332,343,382,401,453,480,492,499,508,530,605,609,618,626,655,670,677,686,690,726,727,746,752,758,762,769,772,795,802,806,818,836,883,922,933,936,941,948,957,964,971,983,1009 +0408_00079 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 +0408_00080 15,20,26,44,60,89,94,153,159,161,207,222,229,231,243,244,261,285,330,343,379,401,414,417,453,480,489,492,499,508,530,566,605,609,613,618,623,626,655,659,670,674,677,686,690,726,727,752,758,762,769,772,793,795,802,806,818,851,873,883,936,948,949,952,964,971,983,1009,1022 +0408_00081 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0408_00082 20,26,50,57,62,64,96,153,154,183,207,221,227,258,280,283,292,308,312,347,361,370,390,430,447,481,492,497,508,530,540,542,544,556,558,599,600,622,625,626,639,640,662,692,700,718,727,748,755,763,778,779,781,826,831,833,850,864,918,919,932,948,954,955,987,994,1019 diff --git a/processed_data/0408/0408_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0408/0408_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..c9df3187b --- /dev/null +++ b/processed_data/0408/0408_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,83 @@ +id bits.on +0408_00001 19,20,77,83,94,107,110,134,141,153,207,275,319,340,347,384,405,422,430,472,481,508,524,626,686,727,776,789,823,824,948,965,968,989 +0408_00002 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0408_00003 45,77,92,139,146,153,236,413,481,508,609,626,913 +0408_00004 20,51,94,107,141,153,174,207,217,231,270,294,341,353,360,481,504,508,516,545,552,626,643,727,771,776,778,789,986 +0408_00005 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0408_00006 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 +0408_00007 134,169,189,245,251,390,403,452,479,506,508,662,663,675,766,837,968,981,997 +0408_00008 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0408_00009 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0408_00010 15,20,80,89,94,134,199,201,245,264,411,429,508,554,626,662,677,727,772,842,954,1022 +0408_00011 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 +0408_00012 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0408_00013 85,89,134,139,153,159,167,169,197,212,227,236,245,277,285,311,326,351,361,387,390,401,434,442,452,461,506,508,524,569,626,630,657,662,710,719,743,766,806,936,952,968,974 +0408_00014 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0408_00015 20,55,94,107,141,207,270,508,626,727,802,948 +0408_00016 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0408_00017 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0408_00018 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0408_00019 15,19,56,65,89,122,134,139,153,172,199,311,318,319,326,330,349,361,405,422,436,445,461,481,486,524,525,558,566,580,625,626,629,632,678,690,728,755,760,782,783,791,836,850,887,920,930,936,960,964,968,974,975,1019 +0408_00020 67,77,85,89,132,134,137,139,145,153,159,168,197,209,212,245,304,311,315,317,319,326,351,387,390,401,405,422,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,710,719,743,783,787,804,836,866,936,968,974 +0408_00021 32,89,130,134,139,153,163,167,169,199,207,236,245,277,311,326,327,330,369,374,391,434,452,461,506,508,524,569,626,638,657,662,680,719,766,791,806,810,919,936,952,968,974 +0408_00022 10,19,56,65,89,134,139,153,172,192,230,254,294,305,311,319,326,327,330,336,347,374,405,416,422,436,461,464,467,481,486,524,525,549,558,566,580,625,626,629,678,690,694,719,728,755,783,791,798,874,887,911,919,936,948,959,960,968,974,975 +0408_00023 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0408_00024 20,94,153,348,370,480,508,530,626,727,752,778,863,976 +0408_00025 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0408_00026 19,20,62,94,96,107,134,141,145,153,207,230,270,421,449,481,482,487,508,528,550,558,588,626,727,747,776,789,968,989 +0408_00027 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0408_00028 20,62,94,96,128,134,141,145,153,182,207,230,257,270,281,421,478,480,481,487,508,516,550,555,558,588,626,635,674,692,727,864,871,917,927,968,970,989 +0408_00029 77,96,134,153,171,263,272,316,372,383,389,401,479,481,487,503,550,603,654,662,714,762,778,786,797,812,866,893,896,958,968 +0408_00030 20,94,129,134,169,176,201,438,456,481,508,550,617,626,635,716,727,862,887,897,947,968 +0408_00031 20,62,63,77,94,96,97,107,134,145,153,207,210,230,251,270,285,310,366,401,421,481,487,508,516,526,550,558,588,602,626,649,673,683,727,739,842,968,989 +0408_00032 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0408_00033 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0408_00034 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0408_00035 15,20,26,39,49,89,94,141,153,175,190,207,223,237,366,371,397,415,456,481,508,524,527,589,612,626,635,647,677,727,772,777,785,802,852,871,891,948,964,969 +0408_00036 7,20,39,40,47,49,94,107,116,141,153,199,207,216,241,381,406,427,481,508,516,527,602,626,673,727,739,802,842,917,948,987,1023 +0408_00037 20,39,49,94,107,134,141,153,172,207,251,270,281,310,311,427,470,481,498,508,516,527,550,558,602,620,626,635,640,673,676,727,732,733,739,779,802,819,823,842,852,917,947,948,952,968,970,989 +0408_00038 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0408_00039 20,76,90,94,107,110,134,141,153,182,207,222,236,254,270,281,419,481,492,508,516,532,550,558,582,620,626,635,640,676,697,727,733,739,802,819,867,868,917,947,948,952,961,968,970,989,994 +0408_00040 20,62,76,90,94,96,107,134,141,145,153,182,203,207,222,230,241,270,281,419,421,481,487,508,516,540,550,558,588,603,626,629,635,727,739,802,864,867,917,948,952,968,970,989 +0408_00041 4,73,88,89,134,148,151,153,170,220,289,295,304,311,312,319,326,327,330,346,347,369,383,435,461,473,515,549,550,562,583,597,626,660,685,705,709,712,714,719,724,743,778,787,790,791,825,850,905,921,931,936,939,948,950,968,974,978 +0408_00042 20,52,74,90,94,107,110,141,153,156,159,207,222,236,254,381,406,419,452,481,492,508,516,532,626,727,739,802,868,917,948,961,994,1024 +0408_00043 15,20,24,32,87,89,94,96,134,136,272,282,329,347,380,413,414,418,442,466,474,487,503,506,508,512,532,540,542,550,590,620,626,654,662,677,714,727,741,746,786,797,799,840,967,968,980,1018 +0408_00044 20,39,47,49,76,94,107,116,134,141,153,182,207,262,270,281,427,481,508,516,527,550,558,602,620,626,635,640,673,676,690,697,727,733,739,802,819,842,917,947,948,952,968,970,987,989 +0408_00045 1,4,10,73,89,120,134,153,160,170,220,239,289,304,311,312,319,326,327,330,346,347,369,435,461,473,495,515,549,551,562,597,626,660,705,719,722,724,743,744,778,787,791,810,825,850,888,921,931,936,948,968,974 +0408_00046 4,70,77,85,134,136,153,171,316,347,362,372,408,479,481,487,523,544,549,550,662,679,683,705,753,762,778,781,786,797,812,832,896,899,948,958,968,1008 +0408_00047 7,20,62,94,96,107,134,141,145,153,199,207,210,216,230,241,251,270,310,381,406,421,427,449,481,487,498,508,516,550,558,588,602,626,673,727,739,802,842,917,948,968,989,1023 +0408_00048 20,39,49,90,94,107,110,141,153,172,207,222,236,254,419,481,492,508,516,527,532,582,626,635,727,739,779,802,823,852,868,917,947,948,952,961,994 +0408_00049 4,15,54,73,89,134,137,151,153,170,182,192,193,195,220,245,248,274,301,311,326,327,330,346,347,369,400,435,452,461,473,508,515,544,549,562,566,568,597,626,660,674,705,719,724,743,748,778,787,790,791,839,845,856,905,936,948,958,968,974,1001,1016 +0408_00050 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0408_00051 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0408_00052 20,39,40,47,49,52,94,107,116,141,153,156,207,236,254,381,406,427,452,481,508,516,527,602,626,673,727,739,762,802,842,868,917,948,987,994,1024 +0408_00053 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0408_00054 20,94,153,185,391,480,497,508,530,556,626,727,752,778,803,976 +0408_00055 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0408_00056 20,37,62,94,96,134,145,153,270,295,334,421,480,487,508,522,550,588,626,702,727,901,968 +0408_00057 20,39,47,49,94,107,116,141,153,172,207,427,470,481,508,516,527,602,626,635,673,690,727,739,779,802,823,842,852,917,948,952,987 +0408_00058 77,96,116,134,147,153,168,171,198,233,236,238,254,272,278,319,340,347,372,481,487,524,549,550,612,654,670,714,719,760,849,852,948,958,968,1005,1006 +0408_00059 20,62,76,90,94,96,107,110,134,141,145,153,182,207,222,230,236,254,270,281,419,421,481,487,492,508,516,532,550,558,582,588,626,635,727,739,802,864,867,868,917,948,952,961,968,970,989,994 +0408_00060 20,52,62,94,96,107,134,141,145,153,156,207,210,230,236,251,254,270,310,381,406,421,427,449,452,481,487,498,508,516,550,558,588,602,626,673,727,739,762,802,842,868,917,948,968,989,994,1024 +0408_00061 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0408_00062 20,39,47,49,62,76,94,96,107,116,134,141,145,153,182,207,230,262,270,281,421,427,481,487,508,516,527,550,558,588,602,626,635,673,690,727,739,802,842,864,917,948,952,968,970,987,989 +0408_00063 20,39,49,62,94,96,107,134,141,145,153,172,207,210,230,251,270,310,421,427,470,481,487,498,508,516,527,550,558,588,602,626,635,673,727,732,739,779,802,823,842,852,917,948,952,968,989 +0408_00064 16,20,62,94,96,107,134,145,153,207,230,270,390,421,441,487,508,550,558,588,626,680,727,775,784,968,976,989,1012 +0408_00065 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0408_00066 20,94,107,118,141,153,185,188,207,225,231,250,277,293,342,359,363,399,441,481,508,556,626,635,662,679,727,778,881,915,948,974,1015 +0408_00067 20,94,96,134,272,383,389,392,421,456,479,487,495,503,508,550,611,626,654,662,673,714,727,757,762,783,786,797,838,896,946,950,968 +0408_00068 39,96,134,188,272,278,282,349,383,389,402,479,487,503,508,550,654,662,714,762,786,797,798,814,824,850,896,909,968,980 +0408_00069 39,74,85,134,264,278,282,283,298,349,353,479,487,508,550,552,598,626,640,662,683,720,729,762,778,781,786,797,798,799,850,862,896,968 +0408_00070 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0408_00071 20,94,107,118,141,153,185,188,207,225,231,250,277,293,342,359,363,399,441,481,508,556,626,635,662,679,727,778,881,915,948,974,1015 +0408_00072 4,15,24,59,73,89,94,121,129,134,153,175,195,201,214,226,270,273,281,283,301,306,311,326,347,353,360,363,378,389,408,461,486,515,549,550,570,626,640,666,705,706,711,713,715,724,753,776,777,778,782,783,814,837,858,948,951,968,998,999 +0408_00073 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0408_00074 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0408_00075 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 +0408_00076 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 +0408_00077 10,11,14,42,75,138,153,172,202,247,259,262,380,391,438,451,461,494,508,521,551,556,589,662,777,778,786,820,827,909,915,948 +0408_00078 5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,152,153,163,170,180,182,207,222,228,231,252,261,281,285,290,316,326,351,368,370,391,401,408,420,424,437,480,499,508,530,552,594,602,609,626,664,690,710,726,727,752,753,758,759,772,802,818,860,936,948,949,964,976,999,1009 +0408_00079 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 +0408_00080 5,15,20,26,49,60,76,85,87,89,94,108,118,153,163,182,207,222,228,231,252,261,281,285,290,316,326,340,351,352,401,402,408,424,437,480,482,499,508,530,566,609,626,657,690,710,713,727,752,753,759,772,777,802,818,851,860,879,936,948,964,969,976,987,999,1003,1009,1015,1022 +0408_00081 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0408_00082 20,26,50,57,62,64,96,153,154,183,207,221,227,258,280,283,292,308,312,347,361,370,390,430,447,481,492,497,508,530,540,542,544,556,558,599,600,622,625,626,639,640,662,692,700,718,727,748,755,763,778,779,781,826,831,833,850,864,918,919,932,948,954,955,987,994,1019 diff --git a/processed_data/0408/0408_fingerprints_maccs_canonical_success.tsv b/processed_data/0408/0408_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..d116ab0a2 --- /dev/null +++ b/processed_data/0408/0408_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,83 @@ +id bits.on +0408_00001 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 +0408_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0408_00003 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0408_00004 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0408_00005 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0408_00006 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0408_00007 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0408_00008 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0408_00009 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00010 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0408_00011 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0408_00012 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00013 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00014 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0408_00015 53,89,123,131,136,139,140,146,154,157,159,160,164 +0408_00016 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00017 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0408_00018 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0408_00019 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00020 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00021 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00022 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,92,93,95,96,97,98,105,109,110,117,120,121,122,126,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0408_00023 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00024 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00025 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00026 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00027 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00028 54,79,82,84,90,91,92,95,100,104,110,111,117,123,128,131,132,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00029 53,65,80,82,83,84,90,91,96,100,105,121,131,137,142,151,153,155,156,158,161,162,163,165 +0408_00030 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0408_00031 54,79,82,84,90,92,95,100,104,110,111,117,123,128,131,132,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00032 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00033 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00034 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00035 74,75,79,83,84,85,90,91,92,95,96,100,104,110,111,115,117,118,121,122,123,128,131,136,137,139,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,164,165 +0408_00036 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00037 54,74,79,84,90,92,95,104,110,111,113,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00038 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0408_00039 54,79,84,90,91,92,95,104,110,111,113,114,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00040 54,74,79,84,90,92,95,104,110,111,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00041 53,54,57,72,82,89,90,91,93,98,99,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0408_00042 54,79,84,90,91,92,95,110,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00043 54,65,79,82,83,90,91,95,96,98,100,104,105,111,120,121,123,129,131,137,139,142,144,145,151,153,154,156,157,158,159,161,162,163,164,165 +0408_00044 54,74,79,84,90,92,95,104,110,111,113,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00045 53,54,57,72,82,89,90,91,93,98,99,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0408_00046 53,65,80,82,83,84,90,91,93,96,97,100,105,113,121,126,127,131,137,142,143,151,152,153,155,156,157,158,160,161,162,163,164,165 +0408_00047 54,74,79,84,90,92,95,104,110,111,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00048 54,74,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00049 53,54,57,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0408_00050 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00051 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0408_00052 54,74,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00053 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0408_00054 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00055 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0408_00056 104,123,132,139,154,155,157,159,162,163,164,165 +0408_00057 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00058 13,24,65,71,75,80,82,83,84,93,94,96,100,102,105,113,121,122,124,126,127,137,142,143,148,151,153,155,156,157,158,160,161,162,163,164,165 +0408_00059 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00060 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00061 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00062 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00063 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00064 54,72,90,104,123,131,132,139,146,152,154,155,157,159,162,163,164,165 +0408_00065 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0408_00066 54,84,86,88,90,91,93,95,104,108,111,115,116,118,123,128,129,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00067 53,65,83,96,97,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0408_00068 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0408_00069 53,65,83,96,97,105,113,121,127,131,137,139,143,151,152,154,156,157,159,161,162,163,164,165 +0408_00070 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00071 54,84,86,88,90,91,93,95,104,108,111,115,116,118,123,128,129,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00072 57,62,72,82,83,89,91,93,96,109,113,125,126,127,128,129,131,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0408_00073 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0408_00074 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0408_00075 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0408_00076 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0408_00077 47,51,60,61,67,73,78,86,88,93,100,102,108,111,115,116,118,119,124,128,129,132,138,147,148,153,155,158,160,161,164 +0408_00078 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00079 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00080 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00081 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0408_00082 29,30,48,49,69,72,74,85,86,89,90,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,131,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0408/0408_fingerprints_maccs_isomeric_success.tsv b/processed_data/0408/0408_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..d116ab0a2 --- /dev/null +++ b/processed_data/0408/0408_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,83 @@ +id bits.on +0408_00001 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 +0408_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0408_00003 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0408_00004 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0408_00005 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0408_00006 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0408_00007 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0408_00008 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0408_00009 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00010 54,83,90,91,92,95,96,104,110,111,117,121,123,127,131,132,136,137,139,143,146,147,151,154,156,157,158,159,161,164,165 +0408_00011 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0408_00012 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00013 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00014 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0408_00015 53,89,123,131,136,139,140,146,154,157,159,160,164 +0408_00016 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00017 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0408_00018 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0408_00019 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0408_00020 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00021 37,53,54,57,62,65,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00022 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,92,93,95,96,97,98,105,109,110,117,120,121,122,126,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0408_00023 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00024 90,91,104,118,123,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00025 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00026 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00027 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00028 54,79,82,84,90,91,92,95,100,104,110,111,117,123,128,131,132,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00029 53,65,80,82,83,84,90,91,96,100,105,121,131,137,142,151,153,155,156,158,161,162,163,165 +0408_00030 84,123,131,133,135,139,151,154,156,157,158,159,161,162,163,164,165 +0408_00031 54,79,82,84,90,92,95,100,104,110,111,117,123,128,131,132,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00032 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00033 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00034 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0408_00035 74,75,79,83,84,85,90,91,92,95,96,100,104,110,111,115,117,118,121,122,123,128,131,136,137,139,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,164,165 +0408_00036 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00037 54,74,79,84,90,92,95,104,110,111,113,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00038 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0408_00039 54,79,84,90,91,92,95,104,110,111,113,114,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00040 54,74,79,84,90,92,95,104,110,111,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00041 53,54,57,72,82,89,90,91,93,98,99,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0408_00042 54,79,84,90,91,92,95,110,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00043 54,65,79,82,83,90,91,95,96,98,100,104,105,111,120,121,123,129,131,137,139,142,144,145,151,153,154,156,157,158,159,161,162,163,164,165 +0408_00044 54,74,79,84,90,92,95,104,110,111,113,115,117,123,127,131,136,139,140,142,143,146,149,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00045 53,54,57,72,82,89,90,91,93,98,99,109,113,123,126,127,131,132,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0408_00046 53,65,80,82,83,84,90,91,93,96,97,100,105,113,121,126,127,131,137,142,143,151,152,153,155,156,157,158,160,161,162,163,164,165 +0408_00047 54,74,79,84,90,92,95,104,110,111,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00048 54,74,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00049 53,54,57,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0408_00050 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0408_00051 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0408_00052 54,74,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00053 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0408_00054 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00055 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0408_00056 104,123,132,139,154,155,157,159,162,163,164,165 +0408_00057 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,141,142,146,149,151,154,155,156,157,158,159,160,161,164 +0408_00058 13,24,65,71,75,80,82,83,84,93,94,96,100,102,105,113,121,122,124,126,127,137,142,143,148,151,153,155,156,157,158,160,161,162,163,164,165 +0408_00059 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00060 54,79,84,90,91,92,95,104,110,111,114,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00061 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00062 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00063 54,74,79,84,90,92,95,104,110,111,115,117,123,131,136,139,142,146,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0408_00064 54,72,90,104,123,131,132,139,146,152,154,155,157,159,162,163,164,165 +0408_00065 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0408_00066 54,84,86,88,90,91,93,95,104,108,111,115,116,118,123,128,129,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00067 53,65,83,96,97,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0408_00068 65,83,96,97,105,121,137,151,154,156,161,162,163,164,165 +0408_00069 53,65,83,96,97,105,113,121,127,131,137,139,143,151,152,154,156,157,159,161,162,163,164,165 +0408_00070 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0408_00071 54,84,86,88,90,91,93,95,104,108,111,115,116,118,123,128,129,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0408_00072 57,62,72,82,83,89,91,93,96,109,113,125,126,127,128,129,131,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0408_00073 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0408_00074 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0408_00075 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0408_00076 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0408_00077 47,51,60,61,67,73,78,86,88,93,100,102,108,111,115,116,118,119,124,128,129,132,138,147,148,153,155,158,160,161,164 +0408_00078 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00079 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00080 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0408_00081 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0408_00082 29,30,48,49,69,72,74,85,86,89,90,91,93,95,99,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,131,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 diff --git a/processed_data/0408/0408_fingerprints_pubchem_canonical_success.tsv b/processed_data/0408/0408_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..00195b9fc --- /dev/null +++ b/processed_data/0408/0408_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,83 @@ +id bits.on +0408_00001 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0408_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0408_00003 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0408_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0408_00005 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0408_00006 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0408_00007 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0408_00008 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0408_00009 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0408_00010 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0408_00011 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00012 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00013 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0408_00014 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00015 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0408_00016 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00017 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0408_00018 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0408_00019 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0408_00020 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0408_00021 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0408_00022 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,616,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0408_00024 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695 +0408_00025 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00026 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00027 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0408_00028 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0408_00029 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0408_00030 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0408_00031 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00032 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0408_00033 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0408_00034 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0408_00035 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,692,696,703,709,710 +0408_00036 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,685,709,710 +0408_00037 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00038 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00039 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00040 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0408_00041 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,762,778,799,825 +0408_00042 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,711 +0408_00043 10,11,12,15,16,19,20,144,146,147,179,180,184,185,186,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,570,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,618,619,629,634,635,638,641,644,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,759,822 +0408_00044 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00045 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0408_00046 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,594,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,639,641,642,644,652,653,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,806,820,822 +0408_00047 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00048 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710,711 +0408_00049 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00050 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0408_00051 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00052 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710,711 +0408_00053 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0408_00054 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0408_00055 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0408_00056 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0408_00057 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710 +0408_00058 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,341,345,346,352,356,357,358,359,366,367,371,372,373,374,375,377,378,385,386,387,388,391,394,396,397,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,515,517,521,522,524,525,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0408_00059 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,693,697,705,709,710,711 +0408_00060 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00061 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0408_00062 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,693,697,705,709,710,711 +0408_00063 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00064 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0408_00065 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00066 10,11,12,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,583,587,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0408_00067 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0408_00068 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0408_00069 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,652,653,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,703,704,705,709,710,711,713,743,757,759,806,820,822 +0408_00070 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0408_00071 10,11,12,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,583,587,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0408_00072 10,11,12,13,19,20,21,144,147,179,180,186,187,256,258,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,627,631,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,736,762,778,799,825 +0408_00073 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0408_00074 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0408_00075 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00076 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00077 10,11,12,15,19,34,35,284,285,286,294,333,345,346,350,352,354,366,369,375,391,413,415,419,422,454,458,466,508,583,587,593,680,684,689,697 +0408_00078 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00079 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00080 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00081 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0408_00082 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,572,580,583,600,615,638,640,641,660,661,663,664,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0408/0408_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0408/0408_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..00195b9fc --- /dev/null +++ b/processed_data/0408/0408_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,83 @@ +id bits.on +0408_00001 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0408_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0408_00003 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0408_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0408_00005 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0408_00006 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0408_00007 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0408_00008 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0408_00009 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0408_00010 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0408_00011 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00012 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00013 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0408_00014 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00015 10,11,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,582,589,618,640,643 +0408_00016 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00017 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0408_00018 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0408_00019 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0408_00020 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0408_00021 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0408_00022 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,616,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0408_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0408_00024 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,681,685,691,694,695 +0408_00025 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00026 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00027 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0408_00028 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0408_00029 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0408_00030 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,601,604,608,609,618,619,620,624,634,635,638,641,642,644,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0408_00031 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00032 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0408_00033 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0408_00034 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0408_00035 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,692,696,703,709,710 +0408_00036 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,685,709,710 +0408_00037 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00038 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00039 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00040 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0408_00041 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,762,778,799,825 +0408_00042 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,711 +0408_00043 10,11,12,15,16,19,20,144,146,147,179,180,184,185,186,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,570,571,577,578,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,618,619,629,634,635,638,641,644,657,658,660,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,759,822 +0408_00044 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0408_00045 10,11,12,13,19,20,21,22,179,180,182,186,256,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,621,627,631,633,635,638,640,641,642,652,654,656,661,662,663,664,665,667,668,669,678,679,680,681,682,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0408_00046 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,594,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,639,641,642,644,652,653,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,806,820,822 +0408_00047 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00048 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710,711 +0408_00049 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00050 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0408_00051 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00052 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710,711 +0408_00053 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0408_00054 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0408_00055 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0408_00056 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0408_00057 10,11,12,15,16,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,709,710 +0408_00058 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,341,345,346,352,356,357,358,359,366,367,371,372,373,374,375,377,378,385,386,387,388,391,394,396,397,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,515,517,521,522,524,525,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0408_00059 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,693,697,705,709,710,711 +0408_00060 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00061 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0408_00062 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,693,697,705,709,710,711 +0408_00063 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0408_00064 10,11,12,19,20,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,381,385,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,553,557,565,568,571,572,579,580,583,585,596,600,604,609,618,619,635,638,641,642,656,661,664,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0408_00065 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0408_00066 10,11,12,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,583,587,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0408_00067 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0408_00068 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,686,689,693,697,698,705,709,710,711,713,759,822 +0408_00069 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,437,438,442,443,444,446,447,448,449,450,454,465,471,473,483,491,492,494,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,652,653,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,703,704,705,709,710,711,713,743,757,759,806,820,822 +0408_00070 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0408_00071 10,11,12,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,583,587,593,618,638,644,680,681,684,685,689,690,693,697,699,705 +0408_00072 10,11,12,13,19,20,21,144,147,179,180,186,187,256,258,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,627,631,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,736,762,778,799,825 +0408_00073 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0408_00074 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0408_00075 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00076 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00077 10,11,12,15,19,34,35,284,285,286,294,333,345,346,350,352,354,366,369,375,391,413,415,419,422,454,458,466,508,583,587,593,680,684,689,697 +0408_00078 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00079 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00080 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0408_00081 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0408_00082 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,417,421,426,435,441,442,444,447,453,457,491,517,525,536,541,557,567,568,572,580,583,600,615,638,640,641,660,661,663,664,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0408/0408_gradient.tsv b/processed_data/0408/0408_gradient.tsv new file mode 100644 index 000000000..3dfd93b8b --- /dev/null +++ b/processed_data/0408/0408_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 -1 95 5 +1 -1 95 5 +16 -1 5 95 +18 -1 5 95 diff --git a/processed_data/0408/0408_info.tsv b/processed_data/0408/0408_info.tsv new file mode 100644 index 000000000..21d05ba14 --- /dev/null +++ b/processed_data/0408/0408_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0408 10.1007/s00216-013-6954-6 Submitted by Fangyuan Sun Stanstrup, J., Gerlich, M., Dragsted, L.O. et al ROASMI_43 column temperature and flowrate diff --git a/processed_data/0408/0408_metadata.tsv b/processed_data/0408/0408_metadata.tsv new file mode 100644 index 000000000..f3c77bf8e --- /dev/null +++ b/processed_data/0408/0408_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0408 Waters ACQUITY UPLC HSS T3 L1 150.0 2.1 1.8 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 % % % % diff --git a/processed_data/0408/0408_report_canonical.pdf b/processed_data/0408/0408_report_canonical.pdf new file mode 100644 index 000000000..c21ad1c65 Binary files /dev/null and b/processed_data/0408/0408_report_canonical.pdf differ diff --git a/processed_data/0408/0408_report_isomeric.pdf b/processed_data/0408/0408_report_isomeric.pdf new file mode 100644 index 000000000..2060ca945 Binary files /dev/null and b/processed_data/0408/0408_report_isomeric.pdf differ diff --git a/processed_data/0408/0408_rtdata_canonical_success.tsv b/processed_data/0408/0408_rtdata_canonical_success.tsv new file mode 100644 index 000000000..fc857061f --- /dev/null +++ b/processed_data/0408/0408_rtdata_canonical_success.tsv @@ -0,0 +1,83 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0408_00001 C7H11N3O2 0.407366667 CN1C=C(N=C1)CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) BRMWTNUJHUMWMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00002 C6H14N4O2 0.412966667 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00003 C2H7NO3S 0.446016667 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0408_00004 C6H13N3O3 0.45725 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00005 C5H9NO2 0.481516667 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00006 C5H5N5 0.525266667 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0408_00007 C4H4N2O2 0.637566667 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0408_00008 C5H4N4O3 0.6432 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0408_00009 C5H11NO2S 0.6432 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00010 C5H7NO3 0.687466667 C1CC(=O)NC1C(=O)O InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9) ODHCTXKNWHHXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00011 C9H11NO3 0.7 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00012 C10H13N5O4 0.7 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0408_00013 C9H12N2O6 0.704316667 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16) DRTQHJPVMGBUCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0408_00014 C9H11NO3 0.71555 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00015 C4H6O4 0.733066667 CC(C(=O)O)C(=O)O InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0408_00016 C10H13N5O4 0.755466667 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0408_00017 C6H13NO2 0.794616667 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00018 C6H13NO2 0.794616667 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00019 C10H13N5O3 0.8 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13) OLXZPDWKRNYJJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0408_00020 C10H12N4O5 0.8391 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) removed another duplicate entry +0408_00021 C9H12N2O6 1 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16) DRTQHJPVMGBUCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) NA (NA) NA (NA) NA (NA) +0408_00022 C11H15N5O4 1.1 COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) FPUGCISOLXNPPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0408_00023 C10H13N5O5 1.1 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0408_00024 C5H8O4 1.142266667 C(CC(=O)O)CC(=O)O InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) JFCQEDHGNNZCLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0408_00025 C9H11NO2 1.3 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00026 C9H11NO2 1.311366667 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00027 C10H14N2O5 1.6 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0408_00028 C11H14N2O3 1.7 C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15) GLUBLISJVJFHQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00029 C9H10N2 1.8 C1=CC=C2C(=C1)C(=CN2)CN InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 JXYGLMATGAAIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0408_00030 C7H7NO2 1.945866667 C1=CC(=CC=C1C(=O)O)N InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0408_00031 C11H14N2O3 2.3 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16) JBCLFWXMTIKCCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00032 C6H10O4 2.327 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0408_00033 C11H12N2O2 2.4 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0408_00034 C11H12N2O2 2.529816667 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0408_00035 C11H20N2O3 2.62 CC(C)CC(C(=O)N1CCCC1C(=O)O)N InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16) VTJUNIYRYIAIHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00036 C11H22N2O3 2.7 CC(C)CC(C(=O)O)NC(=O)C(C(C)C)N InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16) XCTHZFGSVQBHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00037 C15H22N2O4 2.8 CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N InChI=1S/C15H22N2O4/c1-9(2)7-12(16)14(19)17-13(15(20)21)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21) LHSGPCFBGJHPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00038 C15H16O9 2.9 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0408_00039 C15H22N2O4 2.9 CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N InChI=1S/C15H22N2O4/c1-3-9(2)13(15(20)21)17-14(19)12(16)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21) QJKMCQRFHJRIPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00040 C14H20N2O3 3 CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N InChI=1S/C14H20N2O3/c1-9(2)12(14(18)19)16-13(17)11(15)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19) IEHDJWSAXBGJIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00041 C16H22O8 3 COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3 SFLMUHDGSQZDOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0408_00042 C12H24N2O3 3.1 CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)N InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) BCVIOZZGJNOEQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00043 C12H12N2O2 3.1 C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16) FSNCEEGOMTYXKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0408_00044 C15H22N2O4 3.2 CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21) AUEJLPRZGVVDNU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00045 C17H24O9 3.2 COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3 QJVXKWHHAMZTBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0408_00046 C10H12N2O 3.2 COC1=CC=CC2=C1C(=CN2)CN InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3 YKDYCKHEKOEVJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0408_00047 C14H20N2O3 3.3 CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19) GJNDXQBALKCYSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00048 C12H24N2O3 3.3 CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)N InChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) AZLASBBHHSLQDB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00049 C16H18O9 3.3 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3 SGTCGCCQZOUMJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0408_00050 C9H9NO3 3.38825 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0408_00051 C9H6O4 3.4 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0408_00052 C12H24N2O3 3.4 CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) JWBXCSQZLLIOCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00053 C8H10N4O2 3.4563 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0408_00054 C7H12O4 3.472433333 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0408_00055 C9H8O4 3.493666667 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0408_00056 C8H8O2 3.595966667 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0408_00057 C12H24N2O3 3.6 CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) LCPYQJIKPJDLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0408_00058 C10H12N2O 3.7 CON1C=C(C2=CC=CC=C21)CN InChI=1S/C10H12N2O/c1-13-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3 GAHLHXRCZDVQSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0408_00059 C15H22N2O3 3.8 CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20) JWBLQDDHSDGEGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00060 C15H22N2O3 3.9 CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20) WMDZARSFSMZOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00061 C17H20N4O6 3.922316667 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) removed another duplicate entry +0408_00062 C15H22N2O3 4.1 CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20) RFCVXVPWSPOMFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00063 C15H22N2O3 4.2 CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20) KFKWRHQBZQICHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00064 C9H10O3 4.370816667 C1=CC=C(C=C1)CC(C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) VOXXWSYKYCBWHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0408_00065 C10H8O4 4.5 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0408_00066 C10H21NO2S 4.6 CSCCCCCCCC(C(=O)O)N InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13) GYYOKOIBHIWNHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00067 C9H7NO2 4.7 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0408_00068 C9H7NO 4.8 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0408_00069 C9H7NO2 5.1 C1=CC2=C(C(=C1)O)C(=CN2)C=O InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H QLBZIZLLMNWTHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0408_00070 C9H16O4 5.3534 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0408_00071 C11H23NO2S 5.4 CSCCCCCCCCC(C(=O)O)N InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14) XVGBKWQWYRNGDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives 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InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19) GJNDXQBALKCYSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00048 C12H24N2O3 3.3 CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)N InChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) AZLASBBHHSLQDB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00049 C16H18O9 3.3 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3 SGTCGCCQZOUMJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0408_00050 C9H9NO3 3.38825 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0408_00051 C9H6O4 3.4 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0408_00052 C12H24N2O3 3.4 CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) JWBXCSQZLLIOCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00053 C8H10N4O2 3.4563 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0408_00054 C7H12O4 3.472433333 C(CCC(=O)O)CCC(=O)O InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) WLJVNTCWHIRURA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0408_00055 C9H8O4 3.493666667 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0408_00056 C8H8O2 3.595966667 C1=CC=C(C=C1)CC(=O)O InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) WLJVXDMOQOGPHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0408_00057 C12H24N2O3 3.6 CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)N InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) LCPYQJIKPJDLLB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0408_00058 C10H12N2O 3.7 CON1C=C(C2=CC=CC=C21)CN InChI=1S/C10H12N2O/c1-13-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3 GAHLHXRCZDVQSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0408_00059 C15H22N2O3 3.8 CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N InChI=1S/C15H22N2O3/c1-3-10(2)13(15(19)20)17-14(18)12(16)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20) JWBLQDDHSDGEGR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00060 C15H22N2O3 3.9 CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N InChI=1S/C15H22N2O3/c1-3-10(2)13(16)14(18)17-12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9,16H2,1-2H3,(H,17,18)(H,19,20) WMDZARSFSMZOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00061 C17H20N4O6 3.922316667 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) removed another duplicate entry +0408_00062 C15H22N2O3 4.1 CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20) RFCVXVPWSPOMFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00063 C15H22N2O3 4.2 CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20) KFKWRHQBZQICHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0408_00064 C9H10O3 4.370816667 C1=CC=C(C=C1)C[C@H](C(=O)O)O InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 VOXXWSYKYCBWHO-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0408_00065 C10H8O4 4.5 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0408_00066 C10H21NO2S 4.6 CSCCCCCCCC(C(=O)O)N InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13) GYYOKOIBHIWNHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00067 C9H7NO2 4.7 C1=CC=C2C(=C1)C(=CN2)C(=O)O InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) KMAKOBLIOCQGJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) NA (NA) NA (NA) +0408_00068 C9H7NO 4.8 C1=CC=C2C(=C1)C(=CN2)C=O InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H OLNJUISKUQQNIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0408_00069 C9H7NO2 5.1 C1=CC2=C(C(=C1)O)C(=CN2)C=O InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H QLBZIZLLMNWTHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0408_00070 C9H16O4 5.3534 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0408_00071 C11H23NO2S 5.4 CSCCCCCCCCC(C(=O)O)N InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14) XVGBKWQWYRNGDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0408_00072 C20H24O6 5.6 COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3 MHXCIKYXNYCMHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Furanoid lignans (CHEMONTID:0003686) Tetrahydrofuran lignans (CHEMONTID:0001604) 7,9'-epoxylignans (CHEMONTID:0003422) NA (NA) +0408_00073 C21H30O5 6.5559 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0408_00074 C21H28O5 6.606466667 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0408_00075 C26H45NO7S 7.565633333 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 WBWWGRHZICKQGZ-HZAMXZRMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0408_00076 C26H43NO6 7.919366667 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 RFDAIACWWDREDC-FRVQLJSFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0408_00077 C10H19NOS2 8.1 CS(=O)CCCCCCCCN=C=S InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3 BCRXKWOQVFKZAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0408_00078 C24H40O5 8.94125 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 BHQCQFFYRZLCQQ-OELDTZBJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0408_00079 C24H40O4 10.4909 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0408_00080 C24H40O4 10.7043 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 KXGVEGMKQFWNSR-LLQZFEROSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0408_00081 C24H50NO7P 11.598 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3 ASWBNKHCZGQVJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0408_00082 C26H53NO7P 11.9967 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12- YAMUFBLWGFFICM-SEYXRHQNSA-O Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) diff --git a/processed_data/0408/0408_validation_qspr_outliers.tsv b/processed_data/0408/0408_validation_qspr_outliers.tsv new file mode 100644 index 000000000..36eeec308 --- /dev/null +++ b/processed_data/0408/0408_validation_qspr_outliers.tsv @@ -0,0 +1,6 @@ +id error +0408_00005 1.4442234518397394 +0408_00029 1.4968496353571343 +0408_00071 1.4201801366043663 +0408_00077 2.000683043009838 +0408_00078 1.540316014590795 diff --git a/processed_data/0409/0409_descriptors_canonical_success.tsv b/processed_data/0409/0409_descriptors_canonical_success.tsv new file mode 100644 index 000000000..0dbccd1bb --- /dev/null +++ b/processed_data/0409/0409_descriptors_canonical_success.tsv @@ -0,0 +1,92 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0409_00001 11.993511596010578 31.972071699335622 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51.03906699999998 diff --git a/processed_data/0409/0409_descriptors_isomeric_success.tsv b/processed_data/0409/0409_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..2dcb67acf --- /dev/null +++ b/processed_data/0409/0409_descriptors_isomeric_success.tsv @@ -0,0 +1,92 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 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1,4,11,15,23,26,37,42,89,134,169,175,182,186,201,222,224,245,249,260,283,286,302,318,347,353,365,391,392,398,414,435,461,496,508,512,524,534,540,549,550,586,590,626,656,666,686,705,709,729,746,778,823,825,855,866,896,919,930,941,948,953,954,968,989,1016,1020,1021,1022 +0409_00012 1,11,15,20,26,42,84,89,97,118,134,165,170,175,183,222,223,226,231,268,275,291,313,318,330,347,353,374,407,411,425,449,461,496,508,510,512,524,534,540,550,561,592,596,597,626,640,648,658,663,666,686,692,727,734,762,774,778,783,798,838,848,883,886,945,948,968,970,982,994,1014 +0409_00013 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0409_00014 20,82,134,138,153,202,265,286,341,346,347,395,405,417,453,472,481,504,508,524,543,544,554,578,585,627,657,686,710,711,725,727,788,798,948,958,966,968,982,988,989 +0409_00015 20,39,49,77,94,134,153,163,165,199,207,344,465,480,481,508,511,527,547,598,626,727,755,802,849,948 +0409_00016 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0409_00017 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0409_00018 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0409_00019 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0409_00020 5,15,20,30,41,58,62,66,89,111,153,160,182,201,207,250,253,266,303,339,347,357,374,382,390,440,461,501,508,516,523,524,530,562,563,585,626,641,647,666,676,677,678,686,687,717,719,727,732,739,745,776,802,804,834,875,891,906,915,936,948,959,964,974,994,1008,1015 +0409_00021 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0409_00022 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0409_00023 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0409_00024 5,62,96,134,145,153,189,207,230,270,279,363,421,487,516,550,558,588,594,802,806,892,948,968,989,994,998 +0409_00025 13,15,20,134,153,160,175,207,237,245,254,332,341,363,481,508,524,601,727,754,799,808,844,883,892,893,948,994,1022 +0409_00026 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0409_00027 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15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0409_00041 20,49,56,69,74,109,125,134,144,146,147,148,153,167,207,260,309,347,355,452,474,487,508,515,520,527,541,545,550,603,647,670,678,727,732,781,802,825,852,905,911,948,954,961,968,994 +0409_00042 1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0409_00043 15,20,62,89,95,96,114,118,120,134,145,151,212,266,272,298,300,310,344,347,351,352,394,401,421,445,449,482,487,508,524,530,549,550,596,614,641,644,686,688,727,748,762,772,788,833,844,848,897,898,948,964,968,979,1004 +0409_00044 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0409_00045 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0409_00046 3,20,26,40,70,72,89,117,122,134,144,167,194,197,225,228,241,245,283,316,326,333,339,341,353,363,370,376,402,406,418,432,452,473,481,487,489,499,508,517,526,530,550,552,573,583,601,612,626,640,670,683,696,700,715,719,727,739,763,773,781,799,814,847,855,906,936,937,943,948,956,968,979,987 +0409_00047 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0409_00048 5,20,115,133,134,146,149,162,171,172,179,201,236,254,258,347,405,448,461,476,480,481,486,508,515,516,525,532,549,550,572,580,617,686,716,717,733,770,778,809,828,862,887,948,960,968,985,992 +0409_00049 9,15,17,20,26,67,86,95,96,134,145,153,175,194,222,251,294,300,333,347,388,410,413,421,443,453,484,487,508,524,530,549,550,555,603,607,628,640,660,665,668,670,672,694,713,727,737,785,806,818,830,837,883,948,968,994,1008,1021,1023 +0409_00050 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0409_00051 20,73,105,134,136,144,153,220,244,276,285,335,340,343,405,413,441,445,452,456,457,459,505,508,518,522,524,542,550,553,554,591,599,613,615,631,670,686,716,720,723,727,767,768,810,836,871,899,936,948,951,968,976,977 +0409_00052 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0409_00053 1,15,65,84,88,89,96,118,134,147,165,175,230,233,234,309,320,321,338,346,396,405,414,438,469,487,498,513,518,524,549,550,580,585,603,605,654,662,670,686,725,742,769,776,830,856,864,866,877,908,918,937,968,972,977,1009 +0409_00054 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0409_00055 15,20,85,86,89,105,110,111,117,134,136,150,153,191,212,236,240,272,288,323,374,407,479,487,508,520,524,540,545,550,597,602,621,624,635,654,662,666,670,683,686,695,707,714,727,762,767,778,781,785,786,797,852,863,887,896,919,940,948,968,978,991,994,1010,1018 +0409_00056 48,133,134,146,149,152,162,172,186,201,220,236,255,316,405,459,461,481,508,516,532,550,568,615,617,706,716,717,748,766,770,809,862,872,886,887,923,948,960,968 +0409_00057 37,44,65,94,133,134,146,149,162,172,194,201,236,347,403,405,438,448,461,476,481,495,508,516,532,549,550,583,617,686,716,717,733,770,778,797,809,839,862,867,887,948,968,992 +0409_00058 31,133,134,146,149,162,172,201,236,248,260,261,275,347,350,365,366,405,437,461,481,486,505,508,512,516,532,549,550,580,588,617,626,640,705,712,713,716,717,744,770,778,794,809,862,887,948,960,968 +0409_00059 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0409_00060 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0409_00061 1,11,15,23,26,32,39,42,48,89,134,141,144,222,226,231,233,270,291,296,335,340,347,353,367,373,374,375,405,421,427,451,461,465,470,512,526,534,540,545,549,550,580,590,592,626,640,642,654,662,668,670,672,683,699,707,729,740,757,765,774,799,807,808,819,870,948,959,968,977,992 +0409_00062 20,52,62,96,122,134,145,153,167,197,207,245,261,270,292,311,312,347,403,421,487,508,516,549,550,588,590,606,646,673,727,739,762,797,821,840,912,917,948,949,960,968,972,981 +0409_00063 15,24,26,47,89,96,134,145,252,260,265,268,279,315,322,336,353,386,412,421,472,487,524,540,542,544,550,580,686,819,850,854,865,889,898,948,968,989,995 +0409_00064 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0409_00065 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0409_00066 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0409_00067 15,26,35,71,89,111,134,143,144,153,171,189,196,204,206,217,233,244,245,256,260,265,282,286,341,347,350,352,423,424,425,435,461,467,485,488,497,499,508,521,523,524,526,534,538,545,549,557,580,594,618,626,643,651,656,658,666,670,686,689,696,704,711,713,717,719,726,744,763,771,780,799,812,819,832,853,855,859,863,869,878,883,885,894,895,903,906,916,936,937,938,947,948,964,970,974,981,987,993,994,1005,1015 +0409_00068 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0409_00069 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0409_00070 9,15,35,42,61,67,84,96,104,116,134,146,153,175,190,196,217,220,254,269,272,288,296,326,340,347,374,376,394,405,407,425,430,479,487,522,524,550,571,596,605,615,626,654,666,689,714,740,754,773,776,802,820,846,872,931,934,968,979,985,994,1006,1015,1018,1022 +0409_00071 3,6,20,26,72,84,89,117,122,124,134,144,194,197,201,225,228,245,256,260,283,316,326,334,341,351,353,370,407,418,432,452,455,460,477,481,487,504,508,517,530,550,552,556,573,601,612,616,626,640,670,683,696,700,713,719,720,727,773,781,799,814,839,847,855,888,906,908,936,937,943,948,968,1006 +0409_00072 68,88,96,111,133,134,146,149,162,172,179,183,192,201,236,257,393,405,419,448,461,481,484,487,494,508,516,532,550,580,613,617,658,682,716,717,733,756,770,773,809,862,887,910,964,968,992,1012,1015 +0409_00073 3,8,15,20,24,26,50,58,69,89,100,115,119,122,134,141,146,153,161,169,188,190,213,222,227,245,253,260,269,280,290,302,306,317,325,347,363,389,396,447,454,460,471,486,499,508,509,522,614,615,621,626,640,652,657,670,691,727,748,762,772,783,816,819,844,850,851,852,872,883,907,915,916,936,946,948,970,973,987,994,1009,1022 +0409_00074 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0409_00075 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0409_00076 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0409_00077 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0409_00078 15,18,63,67,80,96,134,139,153,155,178,190,207,224,231,233,316,347,360,400,408,430,434,485,487,516,550,552,577,580,616,657,705,716,725,735,739,764,773,781,782,793,802,812,935,947,948,954,957,968,970,978,979,998 +0409_00079 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0409_00080 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0409_00081 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0409_00082 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0409_00083 3,15,20,64,67,88,89,94,111,118,134,153,175,178,202,220,237,240,277,316,317,364,371,400,403,444,446,447,448,452,508,524,545,580,602,613,626,661,677,710,727,735,746,756,757,772,773,824,850,863,878,928,948,968,979,981,994 +0409_00084 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0409_00085 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0409_00086 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0409_00087 15,63,66,96,101,111,134,140,141,144,146,148,175,178,190,220,283,298,312,350,394,405,414,425,479,487,496,503,506,513,524,529,536,550,596,615,662,686,691,773,776,786,797,845,849,872,892,893,931,934,943,948,968,970,978,984,1016,1019,1022 +0409_00088 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0409_00089 1,7,15,20,21,25,26,49,60,88,89,99,117,134,148,214,222,236,245,255,282,285,288,308,314,315,338,342,351,357,399,423,492,499,508,513,547,566,603,615,618,633,698,727,742,744,762,772,782,816,843,857,877,898,948,949,968,1022 +0409_00090 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 +0409_00091 20,26,37,48,77,84,89,94,101,128,134,141,153,180,207,233,245,270,295,297,303,327,338,350,406,422,444,481,485,492,499,508,516,524,550,575,581,589,611,620,626,640,647,648,676,677,727,733,767,773,817,843,853,876,917,922,947,948,968,975,1007 diff --git a/processed_data/0409/0409_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0409/0409_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..fafbceb3e --- /dev/null +++ b/processed_data/0409/0409_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,92 @@ +id bits.on +0409_00001 11,20,111,134,146,162,172,201,236,259,305,325,341,477,481,484,508,532,550,617,631,716,756,758,778,862,887,968,983 +0409_00002 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0409_00003 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0409_00004 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0409_00005 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0409_00006 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0409_00007 37,53,82,89,96,134,141,145,167,207,224,390,421,429,481,487,550,601,626,647,802,935,948,956,968 +0409_00008 44,53,96,134,141,145,167,207,224,390,403,421,481,483,487,550,568,601,626,647,789,802,948,956,968 +0409_00009 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0409_00010 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0409_00011 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0409_00012 1,11,15,20,26,42,84,89,97,118,134,165,170,175,183,222,223,226,231,268,275,291,313,318,330,347,353,374,407,411,425,449,461,496,508,510,512,524,534,540,550,561,592,596,597,626,640,648,658,663,666,686,692,727,734,762,774,778,783,798,838,848,883,886,945,948,968,970,982,994,1014 +0409_00013 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0409_00014 20,82,134,138,153,202,265,286,341,346,347,395,405,417,453,472,481,504,508,524,543,544,554,578,585,627,657,686,710,711,725,727,788,798,948,958,966,968,982,988,989 +0409_00015 20,39,49,77,94,134,153,163,165,199,207,246,480,481,508,511,527,626,727,755,802,849,866,928,948,949 +0409_00016 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0409_00017 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0409_00018 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0409_00019 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0409_00020 1,15,20,41,62,89,111,115,153,160,168,206,207,218,221,284,299,303,324,345,347,379,390,416,455,461,477,485,498,500,508,516,524,554,562,569,603,606,626,645,662,666,686,687,699,710,719,727,739,776,797,802,810,843,850,866,887,915,936,948,959,964,974,994,1008,1015 +0409_00021 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0409_00022 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0409_00023 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0409_00024 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0409_00025 15,20,126,134,153,175,207,237,245,254,325,332,341,352,363,481,508,524,601,643,710,727,808,844,880,892,893,948,994,1022 +0409_00026 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0409_00027 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0409_00028 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0409_00029 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0409_00030 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0409_00031 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0409_00032 15,20,24,40,63,79,89,94,96,108,116,117,122,134,141,145,167,174,194,207,220,245,252,273,357,421,451,456,481,487,492,508,513,516,524,544,550,601,603,614,618,626,639,647,677,679,711,727,735,773,792,803,825,833,864,917,948,968,992,1003 +0409_00033 1,15,37,39,65,66,84,88,89,96,101,111,133,134,155,175,230,234,249,309,320,338,347,393,396,405,414,438,453,459,467,487,498,515,517,524,550,560,573,580,597,626,640,644,676,680,686,742,743,749,816,830,864,866,908,933,934,948,968 +0409_00034 5,23,67,133,134,146,149,162,172,201,219,220,236,295,332,354,387,389,405,461,481,508,514,516,532,550,577,617,681,716,717,770,772,809,861,862,887,948,968,980 +0409_00035 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0409_00036 15,20,89,96,107,125,134,145,153,196,233,294,331,356,388,391,413,421,422,443,487,508,534,550,628,661,662,670,715,727,737,772,773,879,883,928,948,968,994,1009 +0409_00037 1,11,15,20,26,41,42,50,54,89,132,134,159,175,182,201,222,275,276,285,286,309,317,318,320,331,347,353,378,437,444,461,473,476,478,496,507,508,512,516,520,524,534,539,540,550,561,631,641,664,666,686,689,695,705,709,713,727,739,761,762,834,838,850,886,891,905,948,968,976,982,994,1014 +0409_00038 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0409_00039 15,20,26,72,82,85,89,93,123,134,139,144,152,197,217,228,245,269,271,277,283,326,341,353,376,418,432,452,473,476,481,487,499,508,510,525,550,552,573,584,601,626,640,670,683,687,696,700,702,710,715,727,739,743,749,773,781,799,824,847,855,905,909,924,942,943,945,946,948,964,968 +0409_00040 15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0409_00041 20,49,69,74,106,109,134,144,146,148,153,167,207,235,260,347,353,355,452,487,508,515,520,527,541,550,596,647,670,678,724,727,732,781,802,825,838,849,852,904,905,911,948,961,968,994 +0409_00042 1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0409_00043 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0409_00044 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0409_00045 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0409_00046 20,25,26,72,84,89,116,123,134,144,147,163,197,228,245,265,277,283,326,341,353,363,376,417,418,423,432,452,466,473,476,481,487,499,508,510,517,550,552,573,584,601,626,640,669,670,683,696,698,700,702,715,719,727,729,739,773,781,799,831,833,847,855,905,908,920,936,943,945,946,948,968,1006 +0409_00047 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0409_00048 5,20,115,133,134,146,149,162,171,172,179,201,236,254,258,347,405,448,461,476,480,481,486,508,515,516,525,532,549,550,572,580,617,686,716,717,733,770,778,809,828,862,887,948,960,968,985,992 +0409_00049 9,15,17,20,26,67,86,95,96,134,145,153,175,194,222,251,294,300,333,347,388,410,413,421,443,453,484,487,508,524,530,549,550,555,603,607,628,640,660,665,668,670,672,694,713,727,737,785,806,818,830,837,883,948,968,994,1008,1021,1023 +0409_00050 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0409_00051 20,73,105,134,136,144,153,220,244,276,285,335,340,343,405,413,441,445,452,456,457,459,505,508,518,522,524,542,550,553,554,591,599,613,615,631,670,686,716,720,723,727,767,768,810,836,871,899,936,948,951,968,976,977 +0409_00052 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0409_00053 1,15,65,84,88,89,96,118,134,147,165,175,230,233,234,309,320,321,338,346,396,405,414,438,469,487,498,513,518,524,549,550,580,585,603,605,654,662,670,686,725,742,769,776,830,856,864,866,877,908,918,937,968,972,977,1009 +0409_00054 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0409_00055 15,20,51,85,89,105,110,111,126,134,143,145,153,207,212,272,323,373,442,443,474,479,487,508,524,529,540,545,550,597,635,654,662,666,670,683,686,707,710,714,727,744,746,747,762,767,778,781,786,797,829,840,852,863,887,896,933,940,948,968,974,975,991,994,1010,1018 +0409_00056 48,133,134,146,149,152,162,172,186,201,220,236,255,316,405,459,461,481,508,516,532,550,568,615,617,706,716,717,748,766,770,809,862,872,886,887,923,948,960,968 +0409_00057 37,44,65,94,133,134,146,149,162,172,194,201,236,347,403,405,438,448,461,476,481,495,508,516,532,549,550,583,617,686,716,717,733,770,778,797,809,839,862,867,887,948,968,992 +0409_00058 31,133,134,146,149,162,172,201,236,248,260,261,275,347,350,365,366,405,437,461,481,486,505,508,512,516,532,549,550,580,588,617,626,640,705,712,713,716,717,744,770,778,794,809,862,887,948,960,968 +0409_00059 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0409_00060 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0409_00061 1,2,11,15,19,25,26,32,42,52,81,82,89,114,132,134,139,141,144,155,176,178,186,196,218,222,226,231,233,269,291,317,334,340,346,347,352,353,366,373,374,405,411,439,461,476,511,512,526,534,540,545,549,550,560,592,595,626,640,642,644,662,668,672,757,765,774,775,789,798,819,865,890,892,948,959,968,977 +0409_00062 20,52,62,96,134,145,153,207,261,270,292,303,311,347,351,398,421,452,487,500,508,516,549,550,588,606,711,721,727,739,749,755,762,797,821,840,912,917,948,949,960,968,981 +0409_00063 15,24,26,47,89,96,134,145,252,260,265,268,279,315,322,336,353,386,412,421,472,487,524,540,542,544,550,580,686,819,850,854,865,889,898,948,968,989,995 +0409_00064 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0409_00065 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0409_00066 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0409_00067 15,24,26,40,50,77,89,92,103,109,111,113,118,134,144,153,155,165,173,174,180,199,200,211,223,225,237,244,245,249,260,263,282,303,327,347,355,362,367,373,380,391,393,404,406,408,422,424,425,433,461,467,468,473,488,493,499,508,524,534,545,548,549,554,557,579,590,597,606,612,626,666,670,686,696,704,719,723,726,734,780,819,832,851,854,855,869,888,906,919,936,948,962,963,964,974,983,984,985,994,1012 +0409_00068 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0409_00069 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0409_00070 9,15,35,42,61,67,84,96,104,116,134,146,153,175,190,196,217,220,254,269,272,288,296,326,340,347,374,376,394,405,407,425,430,479,487,522,524,550,571,596,605,615,626,654,666,689,714,740,754,773,776,802,820,846,872,931,934,968,979,985,994,1006,1015,1018,1022 +0409_00071 20,26,31,72,84,89,106,124,134,144,165,197,201,202,225,228,245,250,260,277,283,310,326,341,353,363,418,432,452,460,466,481,487,508,510,517,550,552,573,592,601,603,625,626,640,664,670,683,696,700,702,703,719,727,729,773,781,799,814,831,847,855,908,910,915,936,943,945,948,968,991,1006 +0409_00072 68,88,96,111,133,134,146,149,162,172,179,183,192,201,236,257,393,405,419,448,461,481,484,487,494,508,516,532,550,580,613,617,658,682,716,717,733,756,770,773,809,862,887,910,964,968,992,1012,1015 +0409_00073 3,15,20,24,26,58,69,71,89,115,119,122,134,141,153,161,180,188,190,196,222,227,235,245,253,260,274,290,302,347,363,389,423,454,460,466,478,499,508,532,557,570,590,626,640,652,657,670,675,693,722,727,762,766,772,785,819,844,850,852,866,870,872,888,899,907,915,931,936,946,948,964,982,987,994,1008,1009,1017,1022 +0409_00074 3,15,24,25,26,32,34,39,78,83,87,89,105,128,134,136,144,153,157,167,173,174,184,185,192,200,220,244,245,254,260,278,302,309,315,320,325,335,336,347,355,382,385,388,391,396,442,443,448,449,452,461,463,467,468,471,493,499,501,508,518,534,540,549,553,555,557,566,576,590,591,626,649,670,677,689,696,700,703,704,709,711,718,719,761,762,767,768,780,797,806,819,825,850,855,858,866,869,870,873,875,878,881,890,891,910,911,930,933,936,948,952,953,955,960,962,964,966,968,974,986,994,1007,1021 +0409_00075 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0409_00076 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0409_00077 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0409_00078 15,63,67,68,80,96,134,139,153,155,178,190,207,214,217,224,231,233,250,347,360,400,408,420,434,485,487,509,516,550,552,577,616,657,705,716,725,739,764,773,781,789,802,812,935,947,948,956,960,968,975,978,979,998 +0409_00079 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0409_00080 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0409_00081 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0409_00082 15,17,19,24,26,82,89,92,103,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,251,260,290,303,327,347,380,391,393,404,406,411,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,620,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,856,869,906,919,930,936,948,958,962,963,964,974,983,984,985,994,1021 +0409_00083 3,15,20,64,67,88,89,94,111,118,134,153,175,178,202,220,237,240,255,277,316,317,364,371,400,403,421,426,446,448,452,508,524,545,567,580,602,613,626,661,677,710,727,735,756,757,772,773,824,850,863,878,928,948,968,979,981,994 +0409_00084 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0409_00085 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0409_00086 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0409_00087 15,63,66,96,101,111,134,140,141,144,146,148,175,178,190,220,283,298,312,350,394,405,414,425,479,487,496,503,506,513,524,529,536,550,596,615,662,686,691,773,776,786,797,845,849,872,892,893,931,934,943,948,968,970,978,984,1016,1019,1022 +0409_00088 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0409_00089 1,15,20,25,26,49,60,72,85,87,89,116,134,141,148,222,236,245,255,280,285,291,297,311,315,351,357,393,399,452,467,471,477,499,508,513,560,566,595,603,614,702,727,755,762,768,772,801,836,849,875,902,944,948,968,969,1019,1022 +0409_00090 3,6,11,13,15,20,24,32,58,75,83,89,93,107,115,134,144,153,205,216,226,236,238,245,252,256,260,270,275,287,318,345,347,377,383,390,433,452,461,468,508,515,533,534,540,547,578,583,603,626,660,710,727,736,762,767,773,776,789,791,797,814,818,845,861,883,936,938,948,956,961,964,968,974,977,988,994,996,1008 +0409_00091 15,20,24,26,45,59,84,89,94,108,116,117,128,134,141,192,207,245,270,311,350,351,364,371,396,409,481,492,499,508,516,524,544,547,550,593,603,614,618,620,624,626,636,640,647,676,677,727,733,766,773,792,833,851,864,904,917,947,948,968,1007 diff --git a/processed_data/0409/0409_fingerprints_maccs_canonical_success.tsv b/processed_data/0409/0409_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..62a18a988 --- /dev/null +++ b/processed_data/0409/0409_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,92 @@ +id bits.on +0409_00001 25,32,33,43,51,55,58,59,60,61,64,67,73,77,78,81,84,88,94,97,102,106,112,117,119,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0409_00002 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00003 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00004 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00005 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0409_00006 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0409_00007 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0409_00008 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0409_00009 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00010 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0409_00011 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00012 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00013 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00014 23,24,38,49,56,63,65,70,71,75,77,79,80,83,84,85,90,93,94,95,96,97,102,106,109,110,111,116,117,119,120,121,122,123,124,126,130,133,135,136,137,140,142,144,146,148,150,151,153,154,155,156,157,158,159,160,161,162,164,165 +0409_00015 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0409_00016 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0409_00017 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00018 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0409_00019 84,104,111,115,151,155,156,158,160,161,162,163,165 +0409_00020 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00021 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00022 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0409_00023 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0409_00024 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0409_00025 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0409_00026 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00027 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00028 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00029 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00030 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0409_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0409_00032 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00033 19,38,65,75,77,79,85,86,91,93,95,98,100,105,111,113,115,116,120,121,122,125,127,128,129,135,137,138,139,142,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0409_00034 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0409_00035 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00036 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00037 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00038 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0409_00039 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00040 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00041 23,74,85,86,93,100,106,110,113,114,115,117,122,123,126,127,141,142,143,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00042 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0409_00043 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00044 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00045 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0409_00046 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00047 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0409_00048 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,142,143,145,146,148,151,156,157,158,159,160,161,162,163,164,165 +0409_00049 66,75,80,85,86,92,93,95,97,98,100,108,110,111,112,114,116,117,118,121,122,123,126,128,129,132,133,135,136,137,138,140,141,142,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00050 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0409_00051 38,62,65,74,77,79,80,83,85,86,92,93,96,97,98,105,110,111,116,117,120,121,122,125,132,137,141,142,144,145,148,149,150,154,155,156,158,160,161,162,163,164,165 +0409_00052 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00053 19,38,65,77,79,82,85,86,91,98,100,104,105,111,120,121,122,125,128,129,135,137,138,142,144,145,147,148,151,153,156,158,161,162,163,165 +0409_00054 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0409_00055 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00056 32,33,37,51,55,57,58,59,60,61,64,65,67,69,73,77,81,83,84,88,89,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,152,156,158,159,160,161,162,163,164,165 +0409_00057 32,33,38,51,52,55,58,59,60,61,64,65,67,69,73,77,79,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,142,143,145,146,148,151,156,157,158,159,160,161,162,163,164,165 +0409_00058 32,33,38,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,144,145,146,148,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0409_00059 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00060 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0409_00061 57,66,72,74,82,83,89,90,91,93,96,98,100,101,104,105,108,111,112,113,116,118,120,121,126,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00062 54,79,82,86,89,90,91,92,93,95,97,100,104,108,109,110,111,115,117,126,128,131,136,138,142,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00063 45,62,66,75,76,83,85,93,96,99,108,111,112,115,116,121,122,125,137,141,145,148,149,150,156,158,160,161,162,163,165 +0409_00064 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0409_00065 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00066 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00067 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00068 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0409_00069 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0409_00070 19,36,38,59,62,72,75,77,78,79,81,82,85,86,88,91,95,98,100,104,105,109,111,118,119,120,121,122,125,126,128,129,132,133,135,137,138,139,142,144,145,147,148,153,155,156,157,158,159,161,162,163,164,165 +0409_00071 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00072 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,79,81,84,88,94,97,98,102,105,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00073 34,66,85,86,88,90,91,96,99,100,101,105,108,111,112,114,115,116,118,122,123,126,127,128,129,132,136,138,139,140,141,143,146,147,148,149,150,152,153,154,155,157,158,159,160,161,163,164,165 +0409_00074 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00075 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0409_00076 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0409_00077 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0409_00078 36,81,82,83,86,88,93,96,97,100,104,105,111,113,115,116,125,126,127,132,137,143,145,147,151,152,153,155,157,158,160,161,162,163,164,165 +0409_00079 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0409_00080 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0409_00081 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0409_00082 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0409_00083 36,50,75,76,81,83,85,86,88,90,91,96,97,98,99,100,111,118,120,121,122,123,128,129,137,138,139,144,147,148,149,150,153,154,155,157,158,159,160,161,162,163,164,165 +0409_00084 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00085 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0409_00086 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0409_00087 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0409_00088 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00089 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0409_00090 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0409_00091 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0409/0409_fingerprints_maccs_isomeric_success.tsv b/processed_data/0409/0409_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..62a18a988 --- /dev/null +++ b/processed_data/0409/0409_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,92 @@ +id bits.on +0409_00001 25,32,33,43,51,55,58,59,60,61,64,67,73,77,78,81,84,88,94,97,102,106,112,117,119,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0409_00002 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00003 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00004 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00005 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0409_00006 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0409_00007 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0409_00008 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0409_00009 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00010 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0409_00011 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00012 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00013 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00014 23,24,38,49,56,63,65,70,71,75,77,79,80,83,84,85,90,93,94,95,96,97,102,106,109,110,111,116,117,119,120,121,122,123,124,126,130,133,135,136,137,140,142,144,146,148,150,151,153,154,155,156,157,158,159,160,161,162,164,165 +0409_00015 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0409_00016 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0409_00017 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00018 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0409_00019 84,104,111,115,151,155,156,158,160,161,162,163,165 +0409_00020 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00021 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00022 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0409_00023 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0409_00024 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0409_00025 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0409_00026 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00027 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00028 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00029 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00030 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0409_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0409_00032 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00033 19,38,65,75,77,79,85,86,91,93,95,98,100,105,111,113,115,116,120,121,122,125,127,128,129,135,137,138,139,142,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0409_00034 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0409_00035 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00036 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00037 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0409_00038 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0409_00039 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00040 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00041 23,74,85,86,93,100,106,110,113,114,115,117,122,123,126,127,141,142,143,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00042 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0409_00043 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00044 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00045 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0409_00046 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00047 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0409_00048 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,142,143,145,146,148,151,156,157,158,159,160,161,162,163,164,165 +0409_00049 66,75,80,85,86,92,93,95,97,98,100,108,110,111,112,114,116,117,118,121,122,123,126,128,129,132,133,135,136,137,138,140,141,142,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00050 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0409_00051 38,62,65,74,77,79,80,83,85,86,92,93,96,97,98,105,110,111,116,117,120,121,122,125,132,137,141,142,144,145,148,149,150,154,155,156,158,160,161,162,163,164,165 +0409_00052 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00053 19,38,65,77,79,82,85,86,91,98,100,104,105,111,120,121,122,125,128,129,135,137,138,142,144,145,147,148,151,153,156,158,161,162,163,165 +0409_00054 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0409_00055 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0409_00056 32,33,37,51,55,57,58,59,60,61,64,65,67,69,73,77,81,83,84,88,89,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,152,156,158,159,160,161,162,163,164,165 +0409_00057 32,33,38,51,52,55,58,59,60,61,64,65,67,69,73,77,79,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,142,143,145,146,148,151,156,157,158,159,160,161,162,163,164,165 +0409_00058 32,33,38,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,144,145,146,148,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0409_00059 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0409_00060 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0409_00061 57,66,72,74,82,83,89,90,91,93,96,98,100,101,104,105,108,111,112,113,116,118,120,121,126,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,156,157,158,159,160,161,162,163,164,165 +0409_00062 54,79,82,86,89,90,91,92,93,95,97,100,104,108,109,110,111,115,117,126,128,131,136,138,142,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00063 45,62,66,75,76,83,85,93,96,99,108,111,112,115,116,121,122,125,137,141,145,148,149,150,156,158,160,161,162,163,165 +0409_00064 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0409_00065 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00066 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0409_00067 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00068 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0409_00069 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0409_00070 19,36,38,59,62,72,75,77,78,79,81,82,85,86,88,91,95,98,100,104,105,109,111,118,119,120,121,122,125,126,128,129,132,133,135,137,138,139,142,144,145,147,148,153,155,156,157,158,159,161,162,163,164,165 +0409_00071 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0409_00072 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,79,81,84,88,94,97,98,102,105,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0409_00073 34,66,85,86,88,90,91,96,99,100,101,105,108,111,112,114,115,116,118,122,123,126,127,128,129,132,136,138,139,140,141,143,146,147,148,149,150,152,153,154,155,157,158,159,160,161,163,164,165 +0409_00074 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0409_00075 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0409_00076 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0409_00077 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0409_00078 36,81,82,83,86,88,93,96,97,100,104,105,111,113,115,116,125,126,127,132,137,143,145,147,151,152,153,155,157,158,160,161,162,163,164,165 +0409_00079 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0409_00080 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0409_00081 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0409_00082 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0409_00083 36,50,75,76,81,83,85,86,88,90,91,96,97,98,99,100,111,118,120,121,122,123,128,129,137,138,139,144,147,148,149,150,153,154,155,157,158,159,160,161,162,163,164,165 +0409_00084 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00085 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0409_00086 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0409_00087 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0409_00088 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0409_00089 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0409_00090 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0409_00091 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0409/0409_fingerprints_pubchem_canonical_success.tsv b/processed_data/0409/0409_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..0334d8439 --- /dev/null +++ b/processed_data/0409/0409_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,92 @@ +id bits.on +0409_00001 10,11,15,16,17,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,376,377,378,384,385,394,415,417,419,435,438,442,447,450,451,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0409_00002 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00003 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0409_00004 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0409_00005 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0409_00006 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0409_00007 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00008 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00010 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00011 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0409_00012 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00013 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0409_00014 10,11,15,16,17,19,20,21,144,146,147,256,257,284,285,286,287,300,302,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,381,388,390,391,392,394,396,397,398,402,404,406,417,419,421,424,436,439,443,446,447,448,450,451,452,453,454,455,456,462,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,560,561,567,570,573,597,612,613,616,637,649,655,657,660,675 +0409_00015 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0409_00016 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0409_00017 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00018 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0409_00019 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0409_00020 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0409_00021 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0409_00022 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0409_00023 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0409_00024 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0409_00025 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0409_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0409_00027 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00028 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0409_00029 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0409_00030 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00031 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0409_00032 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,554,557,565,567,570,571,574,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,619,620,634,635,641,644,646,647,657,659,660,661,665,668,669,672,678,679,680,684,685,689,693,697,705,709,710,711 +0409_00033 10,11,12,13,15,16,19,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,379,380,382,383,385,388,391,392,397,404,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,462,465,471,473,483,485,488,491,492,496,498,499,507,517,520,521,522,524,525,531,539,541,542,543,544,546,549,550,553,556,557,561,565,567,570,571,574,575,577,578,579,583,585,586,588,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,652,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,756,819 +0409_00034 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0409_00035 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0409_00036 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0409_00037 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00038 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0409_00039 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0409_00040 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0409_00041 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,392,406,417,421,431,435,442,447,452,453,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,646,647,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,736,799 +0409_00042 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0409_00043 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0409_00044 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0409_00045 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00046 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0409_00047 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0409_00048 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0409_00049 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,284,285,286,287,333,334,337,341,345,346,352,353,356,366,367,371,372,375,377,378,381,385,391,392,406,417,421,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,537,541,546,547,550,553,557,565,567,571,579,580,581,583,585,586,593,594,596,600,601,603,604,608,609,614,616,619,629,634,635,638,639,641,646,657,658,660,661,665,666,669,678,679,680,683,684,686,709,711 +0409_00050 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0409_00051 10,11,12,13,15,16,19,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,385,388,389,390,391,392,397,398,404,405,417,419,421,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,604,608,609,612,614,619,629,634,635,637,641,647,655,657,658,661,665,666,669,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,714,777 +0409_00052 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0409_00053 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,300,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,376,377,379,380,385,388,391,392,393,394,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,529,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0409_00054 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0409_00055 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0409_00056 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,358,359,371,372,375,376,377,378,380,382,384,385,388,391,394,397,404,406,410,415,417,419,421,432,433,435,438,442,443,444,447,450,451,452,454,458,460,462,465,466,471,473,477,483,484,485,488,491,493,495,496,498,499,503,507,517,521,524,525,532,533,536,537,539,540,542,544,546,547,550,553,557,560,561,565,566,567,571,579,583,585,586,590,593,596,600,601,603,604,608,609,613,614,616,619,627,634,635,641,644,646,655,658,660,661,665,666,669,675,678,679,680,684,726,789 +0409_00057 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,301,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,394,406,415,417,419,423,435,438,439,442,443,447,450,451,458,460,465,466,468,471,477,478,484,487,491,499,503,516,517,518,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,579,583,585,590,593,595,596,600,601,604,605,607,608,609,617,619,620,627,634,635,636,638,641,642,644,645,652,656,661,665,666,667,669,678,679,680,683,684,726,789 +0409_00058 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,383,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,462,465,466,471,473,477,483,484,485,488,491,492,496,498,499,503,505,507,517,520,521,522,524,525,531,532,533,539,541,542,544,545,546,547,549,550,553,556,557,561,565,566,567,568,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,616,619,622,627,629,631,634,635,637,639,641,644,653,655,658,660,661,663,665,666,667,669,675,678,679,680,684,726,789 +0409_00059 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0409_00060 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0409_00061 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,300,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00062 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,582,583,585,593,596,600,603,604,608,609,612,614,616,619,629,634,635,639,641,643,644,646,647,657,660,661,665,669,678,679,680,684,689,709,710,711 +0409_00063 10,11,12,13,15,144,146,147,179,180,186,187,256,258,284,285,286,333,334,335,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,438,442,447,450,471,491,503,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713 +0409_00064 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0409_00065 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0409_00066 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0409_00067 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0409_00068 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0409_00069 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0409_00070 10,11,12,13,15,16,19,20,34,179,180,181,182,186,187,193,214,219,220,256,258,284,285,286,287,294,309,333,334,341,345,346,347,352,353,354,356,357,366,367,371,372,376,377,378,384,385,391,392,406,407,413,417,419,431,435,438,439,442,443,447,450,451,454,465,471,488,491,501,503,508,517,520,521,525,532,533,534,539,541,546,547,550,553,556,557,565,567,568,570,571,572,577,579,583,585,587,593,596,597,600,601,604,608,609,612,614,615,616,619,629,634,635,641,657,659,660,661,663,664,665,666,669,678,679,680,684,689,709,710,711,758,768,821,831 +0409_00071 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0409_00072 10,11,12,15,16,17,19,20,34,179,180,181,182,186,187,193,256,257,258,260,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,376,377,378,379,380,384,385,387,388,391,394,397,404,415,417,419,432,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,486,488,491,492,496,500,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,548,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,771,789,834 +0409_00073 10,11,12,13,15,19,20,21,34,144,145,179,180,228,229,284,285,286,287,294,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,381,391,392,406,407,413,417,421,433,435,441,442,444,447,453,491,508,517,536,541,557,572,580,583,615,618,638,641,642,657,659,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,798,819,861 +0409_00074 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0409_00075 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0409_00076 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0409_00077 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0409_00078 10,11,12,13,15,19,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,334,340,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,386,391,393,394,406,413,417,422,431,435,442,447,471,472,477,481,491,499,501,508,514,517,521,525,529,532,533,541,542,543,549,553,557,565,566,571,574,575,579,583,585,587,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,659,661,665,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0409_00079 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0409_00080 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0409_00081 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0409_00082 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0409_00083 10,11,12,13,15,19,20,34,35,144,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,309,333,334,336,345,346,350,352,353,354,356,357,366,369,371,372,375,381,384,385,391,392,407,413,417,421,422,431,435,441,442,444,447,453,471,472,481,491,501,508,514,517,521,525,532,533,536,541,553,557,565,571,579,580,581,583,585,587,593,596,600,604,609,614,618,619,635,638,639,641,657,659,661,665,669,678,679,680,681,684,685,689,692,696,697,698,703,709,710,711 +0409_00084 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0409_00085 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0409_00086 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0409_00087 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0409_00088 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0409_00089 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0409_00090 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0409_00091 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 diff --git a/processed_data/0409/0409_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0409/0409_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..0334d8439 --- /dev/null +++ b/processed_data/0409/0409_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,92 @@ +id bits.on +0409_00001 10,11,15,16,17,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,376,377,378,384,385,394,415,417,419,435,438,442,447,450,451,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0409_00002 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00003 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0409_00004 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0409_00005 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0409_00006 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0409_00007 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00008 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00010 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0409_00011 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0409_00012 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00013 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0409_00014 10,11,15,16,17,19,20,21,144,146,147,256,257,284,285,286,287,300,302,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,381,388,390,391,392,394,396,397,398,402,404,406,417,419,421,424,436,439,443,446,447,448,450,451,452,453,454,455,456,462,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,560,561,567,570,573,597,612,613,616,637,649,655,657,660,675 +0409_00015 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0409_00016 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0409_00017 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00018 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0409_00019 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0409_00020 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0409_00021 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0409_00022 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0409_00023 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0409_00024 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0409_00025 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0409_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0409_00027 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00028 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0409_00029 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0409_00030 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00031 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0409_00032 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,554,557,565,567,570,571,574,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,619,620,634,635,641,644,646,647,657,659,660,661,665,668,669,672,678,679,680,684,685,689,693,697,705,709,710,711 +0409_00033 10,11,12,13,15,16,19,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,379,380,382,383,385,388,391,392,397,404,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,462,465,471,473,483,485,488,491,492,496,498,499,507,517,520,521,522,524,525,531,539,541,542,543,544,546,549,550,553,556,557,561,565,567,570,571,574,575,577,578,579,583,585,586,588,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,652,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,756,819 +0409_00034 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0409_00035 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0409_00036 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0409_00037 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00038 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0409_00039 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0409_00040 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0409_00041 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,392,406,417,421,431,435,442,447,452,453,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,646,647,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,736,799 +0409_00042 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0409_00043 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0409_00044 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0409_00045 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0409_00046 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0409_00047 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0409_00048 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0409_00049 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,284,285,286,287,333,334,337,341,345,346,352,353,356,366,367,371,372,375,377,378,381,385,391,392,406,417,421,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,537,541,546,547,550,553,557,565,567,571,579,580,581,583,585,586,593,594,596,600,601,603,604,608,609,614,616,619,629,634,635,638,639,641,646,657,658,660,661,665,666,669,678,679,680,683,684,686,709,711 +0409_00050 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0409_00051 10,11,12,13,15,16,19,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,385,388,389,390,391,392,397,398,404,405,417,419,421,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,604,608,609,612,614,619,629,634,635,637,641,647,655,657,658,661,665,666,669,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,714,777 +0409_00052 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0409_00053 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,300,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,376,377,379,380,385,388,391,392,393,394,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,529,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0409_00054 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0409_00055 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0409_00056 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,358,359,371,372,375,376,377,378,380,382,384,385,388,391,394,397,404,406,410,415,417,419,421,432,433,435,438,442,443,444,447,450,451,452,454,458,460,462,465,466,471,473,477,483,484,485,488,491,493,495,496,498,499,503,507,517,521,524,525,532,533,536,537,539,540,542,544,546,547,550,553,557,560,561,565,566,567,571,579,583,585,586,590,593,596,600,601,603,604,608,609,613,614,616,619,627,634,635,641,644,646,655,658,660,661,665,666,669,675,678,679,680,684,726,789 +0409_00057 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,301,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,394,406,415,417,419,423,435,438,439,442,443,447,450,451,458,460,465,466,468,471,477,478,484,487,491,499,503,516,517,518,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,579,583,585,590,593,595,596,600,601,604,605,607,608,609,617,619,620,627,634,635,636,638,641,642,644,645,652,656,661,665,666,667,669,678,679,680,683,684,726,789 +0409_00058 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,383,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,462,465,466,471,473,477,483,484,485,488,491,492,496,498,499,503,505,507,517,520,521,522,524,525,531,532,533,539,541,542,544,545,546,547,549,550,553,556,557,561,565,566,567,568,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,616,619,622,627,629,631,634,635,637,639,641,644,653,655,658,660,661,663,665,666,667,669,675,678,679,680,684,726,789 +0409_00059 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0409_00060 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0409_00061 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,300,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,644,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0409_00062 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,582,583,585,593,596,600,603,604,608,609,612,614,616,619,629,634,635,639,641,643,644,646,647,657,660,661,665,669,678,679,680,684,689,709,710,711 +0409_00063 10,11,12,13,15,144,146,147,179,180,186,187,256,258,284,285,286,333,334,335,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,438,442,447,450,471,491,503,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713 +0409_00064 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0409_00065 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0409_00066 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0409_00067 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0409_00068 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0409_00069 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0409_00070 10,11,12,13,15,16,19,20,34,179,180,181,182,186,187,193,214,219,220,256,258,284,285,286,287,294,309,333,334,341,345,346,347,352,353,354,356,357,366,367,371,372,376,377,378,384,385,391,392,406,407,413,417,419,431,435,438,439,442,443,447,450,451,454,465,471,488,491,501,503,508,517,520,521,525,532,533,534,539,541,546,547,550,553,556,557,565,567,568,570,571,572,577,579,583,585,587,593,596,597,600,601,604,608,609,612,614,615,616,619,629,634,635,641,657,659,660,661,663,664,665,666,669,678,679,680,684,689,709,710,711,758,768,821,831 +0409_00071 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0409_00072 10,11,12,15,16,17,19,20,34,179,180,181,182,186,187,193,256,257,258,260,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,376,377,378,379,380,384,385,387,388,391,394,397,404,415,417,419,432,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,486,488,491,492,496,500,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,548,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,771,789,834 +0409_00073 10,11,12,13,15,19,20,21,34,144,145,179,180,228,229,284,285,286,287,294,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,381,391,392,406,407,413,417,421,433,435,441,442,444,447,453,491,508,517,536,541,557,572,580,583,615,618,638,641,642,657,659,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,798,819,861 +0409_00074 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0409_00075 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0409_00076 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0409_00077 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0409_00078 10,11,12,13,15,19,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,334,340,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,386,391,393,394,406,413,417,422,431,435,442,447,471,472,477,481,491,499,501,508,514,517,521,525,529,532,533,541,542,543,549,553,557,565,566,571,574,575,579,583,585,587,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,659,661,665,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0409_00079 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0409_00080 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0409_00081 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0409_00082 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0409_00083 10,11,12,13,15,19,20,34,35,144,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,309,333,334,336,345,346,350,352,353,354,356,357,366,369,371,372,375,381,384,385,391,392,407,413,417,421,422,431,435,441,442,444,447,453,471,472,481,491,501,508,514,517,521,525,532,533,536,541,553,557,565,571,579,580,581,583,585,587,593,596,600,604,609,614,618,619,635,638,639,641,657,659,661,665,669,678,679,680,681,684,685,689,692,696,697,698,703,709,710,711 +0409_00084 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0409_00085 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0409_00086 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0409_00087 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0409_00088 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0409_00089 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0409_00090 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0409_00091 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 diff --git a/processed_data/0409/0409_gradient.tsv b/processed_data/0409/0409_gradient.tsv new file mode 100644 index 000000000..4f95bdebc --- /dev/null +++ b/processed_data/0409/0409_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.1 98 2 +3 0.1 98 2 +20 0.1 0 100 +29 0.1 0 100 diff --git a/processed_data/0409/0409_info.tsv b/processed_data/0409/0409_info.tsv new file mode 100644 index 000000000..0c3684b9b --- /dev/null +++ b/processed_data/0409/0409_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0409 10.1016/j.scitotenv.2015.09.145 Submitted by Fangyuan Sun Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis ROASMI_46 column.temperature diff --git a/processed_data/0409/0409_metadata.tsv b/processed_data/0409/0409_metadata.tsv new file mode 100644 index 000000000..a839a493e --- /dev/null +++ b/processed_data/0409/0409_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit column.t0 +0409 Waters Atlantis T3 L1 100.0 2.1 3 0.1 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.0 2.0 0 0 0.0 100.0 0 0 % % % % column.t0 diff --git a/processed_data/0409/0409_report_canonical.pdf b/processed_data/0409/0409_report_canonical.pdf new file mode 100644 index 000000000..239bd953a Binary files /dev/null and b/processed_data/0409/0409_report_canonical.pdf differ diff --git a/processed_data/0409/0409_report_isomeric.pdf b/processed_data/0409/0409_report_isomeric.pdf new file mode 100644 index 000000000..8dc0d62b2 Binary files /dev/null and b/processed_data/0409/0409_report_isomeric.pdf differ diff --git a/processed_data/0409/0409_rtdata_canonical_success.tsv b/processed_data/0409/0409_rtdata_canonical_success.tsv new file mode 100644 index 000000000..7bae0905b --- /dev/null +++ b/processed_data/0409/0409_rtdata_canonical_success.tsv @@ -0,0 +1,92 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0409_00001 C7H10N4O2S 7.11 C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11) BRBKOPJOKNSWSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0409_00002 C17H19NO3 10.08 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00003 C15H23N3O4S 11.59 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0409_00004 C14H22N2O3 11.68 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0409_00005 C13H22N4O3S 11.84 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0409_00006 C10H16N6S 11.95 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0409_00007 C9H13NO 12 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00008 C9H13NO 12.03 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00009 C18H21NO3 12.25 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00010 C10H15NO 12.39 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00011 C18H21NO4 12.6 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0409_00012 C19H21NO4 12.99 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3 JJGYGPZNTOPXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00013 C8H9NO2 13.13 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0409_00014 C6H8N4O4 13.13 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11) PQFRTXSWDXZRRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0409_00015 C8H17NO2 13.15 CC(C)CC(CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) AYXYPKUFHZROOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0409_00016 C6H9N3O3 13.21 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0409_00017 C10H10N4O2S 13.21 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00018 C9H17NO2 13.29 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0409_00019 C9H13N 13.33 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0409_00020 C18H34N2O6S 13.34 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00021 C17H27N3O4S 13.39 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0409_00022 C14H18N4O3 13.48 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00023 C9H9N3O2S2 13.49 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00024 C10H15N 13.54 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0409_00025 C8H14N2O2 13.61 CCC(C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12) HPHUVLMMVZITSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00026 C10H13NO2 13.62 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00027 C11H11N3O2S 13.8 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00028 C12H17NO2 14.12 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00029 C14H22N2O 14.16 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0409_00030 C11H12N4O2S 14.18 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00031 C7H8N4O2 14.27 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0409_00032 C16H17N3O4S 14.34 CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23) ZAIPMKNFIOOWCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0409_00033 C17H19N3O 14.4 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3 DAWYIZBOUQIVNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00034 C11H13N3O3S 14.53 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00035 C16H25NO2 14.59 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00036 C14H20N2O 14.6 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0409_00037 C21H23NO5 14.66 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3 GVGLGOZIDCSQPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00038 C12H11N7 14.72 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0409_00039 C22H24N2O8 14.78 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) NWXMGUDVXFXRIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00040 C16H25NO2 14.8 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00041 C14H22N2O2 14.81 CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3 XSVMFMHYUFZWBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0409_00042 C9H10N4O2S2 14.83 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00043 C17H21NO4 14.94 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0409_00044 C15H25NO3 14.98 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0409_00045 C12H14N4O2S 14.98 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00046 C22H24N2O9 15.07 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) OWFJMIVZYSDULZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00047 C8H10N4O2 15.15 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0409_00048 C11H12N4O3S 15.15 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15) WMPXPUYPYQKQCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00049 C20H28N2O5 15.24 CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3 ZTVQQQVZCWLTDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00050 C17H19N3 15.49 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00051 C19H21N3O 15.52 CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3 ZAFYATHCZYHLPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Phenylimidazoles (CHEMONTID:0002327) +0409_00052 C16H19NO4 15.65 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0409_00053 C16H17N3 15.65 C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2 FGLAMNFOHWVQOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00054 C10H11N3O3S 15.66 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00055 C20H25N3O 15.85 CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 VAYOSLLFUXYJDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0409_00056 C11H13N3O3S 15.98 CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14) CYFLXLSBHQBMFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00057 C11H12N4O3S 16 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15) VLYWMPOKSSWJAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00058 C12H14N4O4S 16.01 COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) PJSFRIWCGOHTNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00059 C17H27NO2 16.57 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00060 C22H28N2O 16.58 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0409_00061 C25H35NO4 16.68 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)O)O4)OC)O InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3 YOYLLRBMGQRFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0409_00062 C13H18N2O3 16.78 CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1 InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16) VPPJLAIAVCUEMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00063 C20H23N 16.94 CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3 AJRJPORIQGYFMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0409_00064 C12H14N2O2 17.01 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0409_00065 C16H21NO2 17.08 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0409_00066 C11H15NO2 17.43 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00067 C38H72N2O12 17.43 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00068 C12H14N4O4S 17.46 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00069 C19H21NO 17.58 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0409_00070 C21H25N3O2S 17.63 C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42 InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 URKOMYMAXPYINW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) Dibenzothiazepines (CHEMONTID:0000055) NA (NA) NA (NA) +0409_00071 C22H24N2O8 17.68 CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31) SGKRLCUYIXIAHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00072 C14H12N4O2S 17.76 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18) NHZLNPMOSADWGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0409_00073 C28H47NO4S 18.12 CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3 UURAUHCOJAIIRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Mutilane diterpenoids (CHEMONTID:0002930) Mutilin derivatives (CHEMONTID:0002002) +0409_00074 C46H77NO17 18.34 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00075 C21H27NO 18.49 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0409_00076 C37H67NO13 18.52 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00077 C19H24N2 18.62 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00078 C18H19NOS 18.74 CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3 ZEUITGRIYCTCEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0409_00079 C15H12N2O2 18.83 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00080 C20H23N 18.92 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0409_00081 C19H21N 19.06 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0409_00082 C38H69NO13 19.62 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00083 C20H25NO2S2 19.65 CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23) PBJUNZJWGZTSKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxylic acids (CHEMONTID:0002411) NA (NA) +0409_00084 C13H11NO5 20.09 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0409_00085 C15H12N2O 20.11 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00086 C15H11N3O3 20.37 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0409_00087 C17H20N4S 20.39 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0409_00088 C24H29N5O3 23.2 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00089 C21H30O2 24.74 CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3 RJKFOVLPORLFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0409_00090 C25H38O5 26.99 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0409_00091 C16H19N3O5S 28.15 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24) LSQZJLSUYDQPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) diff --git a/processed_data/0409/0409_rtdata_isomeric_success.tsv b/processed_data/0409/0409_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..1b0d60040 --- /dev/null +++ b/processed_data/0409/0409_rtdata_isomeric_success.tsv @@ -0,0 +1,92 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0409_00001 C7H10N4O2S 7.11 C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11) BRBKOPJOKNSWSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0409_00002 C17H19NO3 10.08 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00003 C15H23N3O4S 11.59 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0409_00004 C14H22N2O3 11.68 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0409_00005 C13H22N4O3S 11.84 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0409_00006 C10H16N6S 11.95 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0409_00007 C9H13NO 12 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00008 C9H13NO 12.03 C[C@@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1 DLNKOYKMWOXYQA-IONNQARKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00009 C18H21NO3 12.25 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00010 C10H15NO 12.39 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0409_00011 C18H21NO4 12.6 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0409_00012 C19H21NO4 12.99 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3 JJGYGPZNTOPXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00013 C8H9NO2 13.13 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0409_00014 C6H8N4O4 13.13 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11) PQFRTXSWDXZRRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0409_00015 C8H17NO2 13.15 CC(C)C[C@@H](CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1 AYXYPKUFHZROOJ-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0409_00016 C6H9N3O3 13.21 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0409_00017 C10H10N4O2S 13.21 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00018 C9H17NO2 13.29 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0409_00019 C9H13N 13.33 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0409_00020 C18H34N2O6S 13.34 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00021 C17H27N3O4S 13.39 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0409_00022 C14H18N4O3 13.48 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00023 C9H9N3O2S2 13.49 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00024 C10H15N 13.54 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0409_00025 C8H14N2O2 13.61 CC[C@@H](C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1 HPHUVLMMVZITSG-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00026 C10H13NO2 13.62 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00027 C11H11N3O2S 13.8 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00028 C12H17NO2 14.12 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00029 C14H22N2O 14.16 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0409_00030 C11H12N4O2S 14.18 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00031 C7H8N4O2 14.27 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0409_00032 C16H17N3O4S 14.34 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0409_00033 C17H19N3O 14.4 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3 DAWYIZBOUQIVNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00034 C11H13N3O3S 14.53 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00035 C16H25NO2 14.59 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00036 C14H20N2O 14.6 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0409_00037 C21H23NO5 14.66 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 GVGLGOZIDCSQPN-PVHGPHFFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0409_00038 C12H11N7 14.72 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0409_00039 C22H24N2O8 14.78 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 NWXMGUDVXFXRIG-WESIUVDSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00040 C16H25NO2 14.8 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00041 C14H22N2O2 14.81 CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 XSVMFMHYUFZWBK-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0409_00042 C9H10N4O2S2 14.83 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00043 C17H21NO4 14.94 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0409_00044 C15H25NO3 14.98 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0409_00045 C12H14N4O2S 14.98 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00046 C22H24N2O9 15.07 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 OWFJMIVZYSDULZ-PXOLEDIWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00047 C8H10N4O2 15.15 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0409_00048 C11H12N4O3S 15.15 COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15) WMPXPUYPYQKQCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00049 C20H28N2O5 15.24 CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3 ZTVQQQVZCWLTDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00050 C17H19N3 15.49 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00051 C19H21N3O 15.52 CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3 ZAFYATHCZYHLPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Phenylimidazoles (CHEMONTID:0002327) +0409_00052 C16H19NO4 15.65 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0409_00053 C16H17N3 15.65 C1CN2C(CN1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2 FGLAMNFOHWVQOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0409_00054 C10H11N3O3S 15.66 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00055 C20H25N3O 15.85 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 VAYOSLLFUXYJDT-RDTXWAMCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0409_00056 C11H13N3O3S 15.98 CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14) CYFLXLSBHQBMFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00057 C11H12N4O3S 16 COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15) VLYWMPOKSSWJAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00058 C12H14N4O4S 16.01 COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) PJSFRIWCGOHTNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00059 C17H27NO2 16.57 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0409_00060 C22H28N2O 16.58 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0409_00061 C25H35NO4 16.68 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1 YOYLLRBMGQRFTN-IOMBULRVSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0409_00062 C13H18N2O3 16.78 CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1 InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1 VPPJLAIAVCUEMN-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00063 C20H23N 16.94 CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3 AJRJPORIQGYFMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0409_00064 C12H14N2O2 17.01 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0409_00065 C16H21NO2 17.08 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0409_00066 C11H15NO2 17.43 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0409_00067 C38H72N2O12 17.43 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00068 C12H14N4O4S 17.46 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0409_00069 C19H21NO 17.58 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ ODQWQRRAPPTVAG-GZTJUZNOSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0409_00070 C21H25N3O2S 17.63 C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42 InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 URKOMYMAXPYINW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) Dibenzothiazepines (CHEMONTID:0000055) NA (NA) NA (NA) +0409_00071 C22H24N2O8 17.68 C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 SGKRLCUYIXIAHR-AKNGSSGZSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0409_00072 C14H12N4O2S 17.76 C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18) NHZLNPMOSADWGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0409_00073 C28H47NO4S 18.12 CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 UURAUHCOJAIIRQ-QGLSALSOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Mutilane diterpenoids (CHEMONTID:0002930) Mutilin derivatives (CHEMONTID:0002002) +0409_00074 C46H77NO17 18.34 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00075 C21H27NO 18.49 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0409_00076 C37H67NO13 18.52 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00077 C19H24N2 18.62 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00078 C18H19NOS 18.74 CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 ZEUITGRIYCTCEM-KRWDZBQOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0409_00079 C15H12N2O2 18.83 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00080 C20H23N 18.92 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0409_00081 C19H21N 19.06 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0409_00082 C38H69NO13 19.62 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0409_00083 C20H25NO2S2 19.65 CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 PBJUNZJWGZTSKL-MRXNPFEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxylic acids (CHEMONTID:0002411) NA (NA) +0409_00084 C13H11NO5 20.09 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0409_00085 C15H12N2O 20.11 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0409_00086 C15H11N3O3 20.37 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0409_00087 C17H20N4S 20.39 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0409_00088 C24H29N5O3 23.2 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0409_00089 C21H30O2 24.74 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 RJKFOVLPORLFTN-LEKSSAKUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0409_00090 C25H38O5 26.99 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 RYMZZMVNJRMUDD-HGQWONQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0409_00091 C16H19N3O5S 28.15 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 LSQZJLSUYDQPKJ-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) diff --git a/processed_data/0409/0409_validation_qspr_outliers.tsv b/processed_data/0409/0409_validation_qspr_outliers.tsv new file mode 100644 index 000000000..f2c980603 --- /dev/null +++ b/processed_data/0409/0409_validation_qspr_outliers.tsv @@ -0,0 +1,7 @@ +id error +0409_00001 6.2783828084742614 +0409_00032 5.612009507647063 +0409_00087 5.003358125323041 +0409_00089 6.139218538844517 +0409_00090 7.906228519363086 +0409_00091 13.604553679101116 diff --git a/processed_data/0410/0410_descriptors_canonical_success.tsv b/processed_data/0410/0410_descriptors_canonical_success.tsv new file mode 100644 index 000000000..3aed4fa5a --- /dev/null +++ b/processed_data/0410/0410_descriptors_canonical_success.tsv @@ -0,0 +1,69 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0410_00001 11.99365630338033 14.010183230656056 -0.3038925510382095 0.19793591300858004 5.370206561976005 7.91950918220899 0.5 -0.5390000000000001 129.16380791441568 0 2 1.3499999999999999 7 6 8 6 20 0 0 -0.7411000000000005 0.5492292100000008 35.2928 0 0 0 0 0 0 0 0 0 0 0 0 0.7086675109499069 36 96 8 16.32752740504802 1.8141697116720021 12.922711304437088 0 12.922711304437088 4 91.49 0.6666666666666666 0.4 0.4999999999999999 0 1.4142135623730951 0 0 0 0 0.4999999999999999 0 0 0 0 0 0.944940787421155 1.5000000000000004 0.944940787421155 0 0.4999999999999999 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 3.92 4.5 0.5 289.05 0 63 7.439157588755425 4.036581260209188 3.8508499305618726 1.9812607321322002 1.0157355747428491 0.5443310539518174 0 0 5.549127729379168 2.392597853439479 1.754702944038712 0.6586079420610542 0.22228474935575282 0.11547005383792514 0 0 1.412225138403351 1.052198841323242 1.3608276348795432 0.374071198499986 0.16416807993864618 0.18213672050459181 0.9772838841927123 0 0.23570226039551587 0 0.34814239699997196 0 0.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 373.74900637500014 372.3340880000002 419.6075815625 320.84875450000004 220.25963975000005 10.799901506382405 9.329455465443562 12.159881807658882 9.329455465443562 7.439921205105923 0.22561827333929724 -0.23219215572390892 0.22060451743696727 -0.1626640905138798 0.0865524944884309 3 5 14.005277000000001 19.874723 +0410_00002 11.996195902866834 15.99870830259834 -0.3749336970317352 0.10858133015391058 4.995056929596925 9.914134535974611 0.5714285714285714 1.809 253.33785788276933 0 7 2.56 9 10 18 1 41 0 0 0.36999999999999833 0.13689999999999877 77.2693 0 1 1 1 1 0 0 0 1 0 0 0 0.2121517875479588 82 612 25 35.182174406081515 1.9545652447823063 11.112399919389391 8.707142587928871 2.40525733146052 5.169925001442312 53.71000000000001 0.8 0.4444444444444444 0.8066583147966053 4.77280601141878 4.900136654153378 0 2.779864943328458 10.616470565204388 0 4.329638385866451 0 0 0 0 0.7663094323935531 0 0 0 0 0 0 0 0 0 0 0 0 4 0 3 0 0 2 1 0 0 0 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16.055555555555557 8.226843100189036 4.8979591836734695 0.5714285714285714 1375.04 0.3333333333333333 238 13.543605595440512 8.61692216278033 7.1268708125007665 5.161794292874621 4.390400038926243 3.498522078250578 2.420243811874311 1.585572045190593 11.655466291709736 6.339370379681727 4.158223431195193 2.4883358370180777 1.8074776089844653 1.1943980431150718 0.7051584889050921 0.40154240832509824 2.062005453364449 3.3873270101395234 4.824106399992955 0.7508884711657973 1.0713071583836515 1.2451744588709834 1.0749149571305296 0 0.16666666666666666 0 0.5145410283081185 0 0.037945150105123296 0 0 0 0 0.05555555555555555 0.15713484026367722 0 0 0 0.020833333333333332 0.04024690942871118 0 0 0 5 1 5 2 0 0 1007.0623384524151 1121.740272658005 1474.306042253509 1558.6961726861575 1430.3014579364929 20.683387407899318 20.15873379597583 25.989099683421408 28.26529480864934 29.431476741829783 0.47207884166339725 -0.23195329910559603 -0.07001028402099177 0.08632581014877995 -0.044531924478833106 1 4 30.23176099999999 43.482239 +0410_00003 11.996170245230685 15.998710157451175 -0.40950371285749115 0.12445177934958339 5.45865140444697 12.981319105078857 0.5294117647058824 -0.15599999999999986 285.3383025578301 0 0 2.89 8 9 25 1 40 0 0 0.10269999999999956 0.010547289999999909 83.3057 0 5 1 1 1 0 0 1 4 0 0 0 0.18563039521184393 132 712 49 44.72865302322268 2.129935858248699 11.730927920171506 8.39372723551789 3.3372006846536064 5.643856189774724 52.93000000000001 1 0.5 0 1.8573538329747523 1.801548726969603 0.25 6.198694710190766 20.103994594649745 2.941713421083178 11.722659678613239 4.93099806741505 0 0.16666666666666669 0.6666666666666667 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 2 2 4 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 1 0 0 0 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WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ 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20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0410_00002 4,87,134,141,151,153,164,179,207,286,337,343,347,361,379,406,421,481,505,515,544,549,688,690,705,719,727,750,778,800,802,888,917,948,968,989,994,1001 +0410_00003 1,2,11,15,26,42,89,97,118,134,175,183,222,223,226,231,291,318,330,353,374,394,407,411,425,449,461,496,512,524,534,536,540,550,561,592,596,597,626,628,640,648,658,663,666,686,734,760,774,783,815,838,848,854,856,883,936,945,948,956,968,1014 +0410_00004 34,96,134,141,145,151,167,194,207,217,363,390,421,481,487,550,601,626,647,753,802,857,948,968 +0410_00005 20,26,37,48,77,84,89,94,101,128,134,141,153,180,207,233,245,270,295,297,303,327,338,350,406,422,444,481,485,492,499,508,516,524,550,575,581,589,611,620,626,640,647,648,676,677,727,733,767,773,817,843,853,876,917,922,947,948,968,975,1007 +0410_00006 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0410_00007 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0410_00008 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0410_00009 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0410_00010 34,91,96,134,145,167,195,207,240,390,421,424,479,487,516,550,575,601,626,647,802,855,857,948,968,994,998 +0410_00011 15,20,37,40,57,77,79,89,94,96,101,122,134,139,141,145,159,167,174,180,194,207,220,245,276,297,303,352,421,422,444,456,481,485,487,492,508,516,524,530,541,550,581,601,603,611,626,647,677,711,727,773,794,848,873,917,948,949,968,992,1003,1011 +0410_00012 15,20,37,40,57,77,79,89,94,101,122,134,139,141,159,174,180,194,207,220,245,270,297,303,350,352,422,444,456,481,485,492,508,516,524,530,541,550,581,603,611,620,626,640,647,676,677,711,727,733,773,848,873,917,922,947,948,949,968,975,992,1003,1011 +0410_00013 1,2,4,11,15,26,42,89,97,118,134,175,182,183,201,222,223,244,286,318,330,347,353,407,425,444,449,461,496,512,524,534,536,540,549,550,561,596,597,626,628,658,663,666,686,705,709,734,760,778,783,815,838,848,854,856,883,936,945,948,956,968,989,1014,1016 +0410_00014 1,4,11,15,23,26,37,42,89,134,169,175,182,186,201,222,224,245,249,260,283,286,302,318,347,353,365,391,392,398,414,435,461,496,508,512,524,534,540,549,550,586,590,626,656,666,686,705,709,729,746,778,823,825,855,866,896,919,930,941,948,953,954,968,989,1016,1020,1021,1022 +0410_00015 1,11,15,20,26,42,84,89,97,118,134,165,170,175,183,222,223,226,231,268,275,291,313,318,330,347,353,374,407,411,425,449,461,496,508,510,512,524,534,540,550,561,592,596,597,626,640,648,658,663,666,686,692,727,734,762,774,778,783,798,838,848,883,886,945,948,968,970,982,994,1014 +0410_00016 15,63,66,96,101,111,134,140,141,144,146,148,175,178,190,220,283,298,312,350,394,405,414,425,479,487,496,503,506,513,524,529,536,550,596,615,662,686,691,773,776,786,797,845,849,872,892,893,931,934,943,948,968,970,978,984,1016,1019,1022 +0410_00017 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0410_00018 5,62,96,134,145,153,189,207,230,270,279,363,421,487,516,550,558,588,594,802,806,892,948,968,989,994,998 +0410_00019 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0410_00020 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0410_00021 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0410_00022 20,82,134,138,153,202,265,286,341,346,347,395,405,417,453,472,481,504,508,524,543,544,554,578,585,627,657,686,710,711,725,727,788,798,948,958,966,968,982,988,989 +0410_00023 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0410_00024 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0410_00025 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0410_00026 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0410_00027 1,15,37,39,65,66,84,88,89,96,101,111,133,134,155,175,230,234,249,309,320,338,347,393,396,405,414,438,453,459,467,487,498,515,517,524,550,560,573,580,597,626,640,644,676,680,686,742,743,749,816,830,864,866,908,933,934,948,968 +0410_00028 13,15,20,134,153,160,175,207,237,245,254,332,341,363,481,508,524,601,727,754,799,808,844,883,892,893,948,994,1022 +0410_00029 15,20,89,96,107,125,134,145,153,196,233,294,331,356,388,391,413,421,422,443,487,508,534,550,628,661,662,670,715,727,737,772,773,879,883,928,948,968,994,1009 +0410_00030 1,11,15,20,26,42,84,89,97,118,134,165,170,175,182,183,201,222,223,268,275,286,309,313,318,330,347,353,407,425,449,461,476,496,508,510,512,520,524,534,539,540,550,561,596,597,642,658,663,666,686,689,705,709,727,734,762,778,783,798,838,848,883,886,945,948,968,970,975,982,994,1014 +0410_00031 15,26,57,68,89,109,130,134,144,153,175,196,209,220,222,237,260,269,336,347,416,421,423,473,487,505,515,520,540,542,549,550,587,626,653,654,670,687,725,747,772,778,781,834,847,855,889,905,921,929,948,968,1010 +0410_00032 15,20,62,89,95,96,114,118,120,134,145,151,212,266,272,298,300,310,344,347,351,352,394,401,421,445,449,482,487,508,524,530,549,550,596,614,641,644,686,688,727,748,762,772,788,833,844,848,897,898,948,964,968,979,1004 +0410_00033 3,15,20,26,48,70,72,89,134,144,171,194,197,228,238,245,283,294,303,326,331,334,341,350,353,357,376,412,418,432,452,473,478,481,485,487,489,492,499,508,517,527,550,552,573,583,601,612,626,640,670,683,696,700,715,727,739,773,781,799,843,847,855,880,906,918,943,945,948,956,964,968 +0410_00034 5,23,67,133,134,146,149,162,172,201,219,220,236,295,332,354,387,389,405,461,481,508,514,516,532,550,577,617,681,716,717,770,772,809,861,862,887,948,968,980 +0410_00035 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0410_00036 3,20,26,40,70,72,89,117,122,134,144,167,194,197,225,228,241,245,283,316,326,333,339,341,353,363,370,376,402,406,418,432,452,473,481,487,489,499,508,517,526,530,550,552,573,583,601,612,626,640,670,683,696,700,715,719,727,739,763,773,781,799,814,847,855,906,936,937,943,948,956,968,979,987 +0410_00037 15,20,85,86,89,105,110,111,117,134,136,150,153,191,212,236,240,272,288,323,374,407,479,487,508,520,524,540,545,550,597,602,621,624,635,654,662,666,670,683,686,695,707,714,727,762,767,778,781,785,786,797,852,863,887,896,919,940,948,968,978,991,994,1010,1018 +0410_00038 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0410_00039 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0410_00040 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0410_00041 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0410_00042 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0410_00043 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0410_00044 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0410_00045 1,11,15,23,26,29,42,44,48,71,89,134,141,144,152,153,160,175,185,207,222,224,226,231,234,245,269,283,291,296,322,335,340,347,353,367,373,374,375,391,398,405,423,430,451,461,512,521,524,526,534,540,545,549,550,580,590,592,626,640,642,654,668,672,673,729,730,757,765,772,774,808,819,870,911,948,968,976,977,992 +0410_00046 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0410_00047 3,8,15,20,24,26,50,58,69,89,100,115,119,122,134,141,146,153,161,169,188,190,213,222,227,245,253,260,269,280,290,302,306,317,325,347,363,389,396,447,454,460,471,486,499,508,509,522,614,615,621,626,640,652,657,670,691,727,748,762,772,783,816,819,844,850,851,852,872,883,907,915,916,936,946,948,970,973,987,994,1009,1022 +0410_00048 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0410_00049 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0410_00050 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0410_00051 1,15,20,40,52,57,72,77,79,85,89,91,93,94,114,125,134,137,139,153,159,174,183,186,194,220,224,245,268,274,308,319,345,347,366,386,390,405,420,422,425,437,440,456,492,493,507,508,516,524,560,581,593,598,610,619,626,632,639,642,670,677,711,727,748,773,824,828,848,915,948,949,964,968,994,996,1003 +0410_00052 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0410_00053 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0410_00054 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0410_00055 15,26,32,35,61,85,89,99,146,153,184,188,212,222,234,236,242,248,251,263,284,331,347,367,399,404,421,433,461,476,481,487,499,506,508,538,672,702,711,774,789,791,829,848,874,919,948,957,959,984,988,1001,1009 +0410_00056 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0410_00057 15,26,35,71,89,111,134,143,144,153,171,189,196,204,206,217,233,244,245,256,260,265,282,286,341,347,350,352,423,424,425,435,461,467,485,488,497,499,508,521,523,524,526,534,538,545,549,557,580,594,618,626,643,651,656,658,666,670,686,689,696,704,711,713,717,719,726,744,763,771,780,799,812,819,832,853,855,859,863,869,878,883,885,894,895,903,906,916,936,937,938,947,948,964,970,974,981,987,993,994,1005,1015 +0410_00058 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0410_00059 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0410_00060 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0410_00061 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0410_00062 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0410_00063 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0410_00064 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0410_00065 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0410_00066 1,7,15,20,21,25,26,49,60,88,89,99,117,134,148,214,222,236,245,255,282,285,288,308,314,315,338,342,351,357,399,423,492,499,508,513,547,566,603,615,618,633,698,727,742,744,762,772,782,816,843,857,877,898,948,949,968,1022 +0410_00067 6,15,20,24,26,42,45,54,55,62,63,67,68,70,80,85,89,94,101,104,134,153,156,199,220,244,272,280,283,307,322,345,353,365,401,410,456,461,468,492,499,508,515,524,568,573,626,640,680,719,727,767,772,778,786,789,826,865,872,896,932,941,948,963,968,994,1013,1022 +0410_00068 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 diff --git a/processed_data/0410/0410_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0410/0410_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..8ef6e74ab --- /dev/null +++ b/processed_data/0410/0410_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,69 @@ +id bits.on +0410_00001 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0410_00002 4,87,134,141,151,153,164,179,207,286,337,343,347,361,379,406,421,481,505,515,544,549,688,690,705,719,727,750,778,800,802,888,917,948,968,989,994,1001 +0410_00003 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0410_00004 37,53,82,89,96,134,141,145,167,207,224,390,421,429,481,487,550,601,626,647,802,935,948,956,968 +0410_00005 15,20,24,26,45,59,84,89,94,108,116,117,128,134,141,192,207,245,270,311,350,351,364,371,396,409,481,492,499,508,516,524,544,547,550,593,603,614,618,620,624,626,636,640,647,676,677,727,733,766,773,792,833,851,864,904,917,947,948,968,1007 +0410_00006 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0410_00007 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0410_00008 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0410_00009 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0410_00010 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0410_00011 15,20,24,40,63,79,89,94,96,108,116,117,122,134,141,145,167,174,194,207,220,245,252,273,357,421,451,456,481,487,492,508,513,516,524,544,550,601,603,614,618,626,639,647,677,679,711,727,735,773,792,803,825,833,864,917,948,968,992,1003 +0410_00012 15,20,24,40,45,63,79,89,94,108,116,117,122,134,141,174,194,207,220,245,252,270,273,350,357,409,451,456,481,492,508,513,516,524,544,550,603,614,618,620,626,639,640,647,676,677,711,727,733,735,773,792,803,825,833,864,917,947,948,968,992,1003 +0410_00013 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0410_00014 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0410_00015 1,11,15,20,26,41,42,50,54,89,132,134,159,175,222,226,231,275,276,285,291,317,318,331,332,347,353,374,437,444,461,473,478,494,496,507,508,512,516,524,534,540,550,561,592,626,631,640,664,666,686,695,713,727,739,761,762,774,834,838,850,886,891,905,948,968,970,976,982,994,1014 +0410_00016 15,63,66,96,101,111,134,140,141,144,146,148,175,178,190,220,283,298,312,350,394,405,414,425,479,487,496,503,506,513,524,529,536,550,596,615,662,686,691,773,776,786,797,845,849,872,892,893,931,934,943,948,968,970,978,984,1016,1019,1022 +0410_00017 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0410_00018 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0410_00019 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0410_00020 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0410_00021 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0410_00022 20,82,134,138,153,202,265,286,341,346,347,395,405,417,453,472,481,504,508,524,543,544,554,578,585,627,657,686,710,711,725,727,788,798,948,958,966,968,982,988,989 +0410_00023 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0410_00024 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0410_00025 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0410_00026 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0410_00027 1,15,37,39,65,66,84,88,89,96,101,111,133,134,155,175,230,234,249,309,320,338,347,393,396,405,414,438,453,459,467,487,498,515,517,524,550,560,573,580,597,626,640,644,676,680,686,742,743,749,816,830,864,866,908,933,934,948,968 +0410_00028 15,20,126,134,153,175,207,237,245,254,325,332,341,352,363,481,508,524,601,643,710,727,808,844,880,892,893,948,994,1022 +0410_00029 15,20,89,96,107,125,134,145,153,196,233,294,331,356,388,391,413,421,422,443,487,508,534,550,628,661,662,670,715,727,737,772,773,879,883,928,948,968,994,1009 +0410_00030 1,11,15,20,26,41,42,50,54,89,132,134,159,175,182,201,222,275,276,285,286,309,317,318,320,331,347,353,378,437,444,461,473,476,478,496,507,508,512,516,520,524,534,539,540,550,561,631,641,664,666,686,689,695,705,709,713,727,739,761,762,834,838,850,886,891,905,948,968,976,982,994,1014 +0410_00031 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0410_00032 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0410_00033 15,20,26,72,82,85,89,93,123,134,139,144,152,197,217,228,245,269,271,277,283,326,341,353,376,418,432,452,473,476,481,487,499,508,510,525,550,552,573,584,601,626,640,670,683,687,696,700,702,710,715,727,739,743,749,773,781,799,824,847,855,905,909,924,942,943,945,946,948,964,968 +0410_00034 5,23,67,133,134,146,149,162,172,201,219,220,236,295,332,354,387,389,405,461,481,508,514,516,532,550,577,617,681,716,717,770,772,809,861,862,887,948,968,980 +0410_00035 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0410_00036 20,25,26,72,84,89,116,123,134,144,147,163,197,228,245,265,277,283,326,341,353,363,376,417,418,423,432,452,466,473,476,481,487,499,508,510,517,550,552,573,584,601,626,640,669,670,683,696,698,700,702,715,719,727,729,739,773,781,799,831,833,847,855,905,908,920,936,943,945,946,948,968,1006 +0410_00037 15,20,51,85,89,105,110,111,126,134,143,145,153,207,212,272,323,373,442,443,474,479,487,508,524,529,540,545,550,597,635,654,662,666,670,683,686,707,710,714,727,744,746,747,762,767,778,781,786,797,829,840,852,863,887,896,933,940,948,968,974,975,991,994,1010,1018 +0410_00038 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0410_00039 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0410_00040 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0410_00041 9,15,20,62,67,79,89,96,119,125,134,137,145,153,175,178,196,270,294,388,391,413,421,422,443,487,508,524,550,588,597,628,661,670,694,715,727,737,772,773,786,792,838,851,879,883,909,917,928,940,948,968,994,1009 +0410_00042 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0410_00043 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0410_00044 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0410_00045 1,11,15,26,42,44,58,82,89,113,116,132,134,139,141,144,152,153,160,175,176,185,186,196,209,218,222,226,231,269,291,334,340,347,352,353,366,373,374,394,398,405,430,436,439,461,476,488,511,512,524,526,530,534,540,545,546,549,550,555,560,592,595,626,640,642,644,650,668,672,673,685,765,772,774,789,798,819,847,948,951,968,977 +0410_00046 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0410_00047 3,15,20,24,26,58,69,71,89,115,119,122,134,141,153,161,180,188,190,196,222,227,235,245,253,260,274,290,302,347,363,389,423,454,460,466,478,499,508,532,557,570,590,626,640,652,657,670,675,693,722,727,762,766,772,785,819,844,850,852,866,870,872,888,899,907,915,931,936,946,948,964,982,987,994,1008,1009,1017,1022 +0410_00048 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0410_00049 3,15,24,25,26,32,34,39,78,83,87,89,105,128,134,136,144,153,157,167,173,174,184,185,192,200,220,244,245,254,260,278,302,309,315,320,325,335,336,347,355,382,385,388,391,396,442,443,448,449,452,461,463,467,468,471,493,499,501,508,518,534,540,549,553,555,557,566,576,590,591,626,649,670,677,689,696,700,703,704,709,711,718,719,761,762,767,768,780,797,806,819,825,850,855,858,866,869,870,873,875,878,881,890,891,910,911,930,933,936,948,952,953,955,960,962,964,966,968,974,986,994,1007,1021 +0410_00050 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0410_00051 1,15,20,24,40,52,72,79,85,89,93,94,125,134,153,174,183,186,194,220,224,245,252,268,274,308,319,345,347,357,366,373,386,390,405,420,425,429,437,440,451,456,492,493,507,508,513,516,524,560,593,598,603,610,619,626,632,639,670,677,727,752,771,773,781,824,828,833,882,915,948,964,968,985,1002,1003 +0410_00052 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0410_00053 1,15,35,64,79,96,100,134,153,200,206,215,218,251,272,309,324,360,487,498,507,516,550,578,654,662,714,742,771,802,812,835,842,850,902,948,968,998,1003,1022 +0410_00054 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0410_00055 15,26,35,58,61,83,85,89,146,153,155,184,188,201,212,236,259,263,284,337,347,348,367,398,399,404,423,444,461,476,481,499,508,562,614,637,649,676,688,711,730,747,773,774,789,818,829,873,874,948,954,959,984,1009 +0410_00056 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0410_00057 15,24,26,40,50,77,89,92,103,109,111,113,118,134,144,153,155,165,173,174,180,199,200,211,223,225,237,244,245,249,260,263,282,303,327,347,355,362,367,373,380,391,393,404,406,408,422,424,425,433,461,467,468,473,488,493,499,508,524,534,545,548,549,554,557,579,590,597,606,612,626,666,670,686,696,704,719,723,726,734,780,819,832,851,854,855,869,888,906,919,936,948,962,963,964,974,983,984,985,994,1012 +0410_00058 15,17,19,24,26,82,89,92,103,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,251,260,290,303,327,347,380,391,393,404,406,411,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,620,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,856,869,906,919,930,936,948,958,962,963,964,974,983,984,985,994,1021 +0410_00059 15,20,21,25,26,36,61,72,85,89,117,129,134,139,141,148,153,208,216,222,245,255,302,305,313,315,326,351,357,358,399,401,408,449,458,472,499,508,513,566,603,626,627,648,649,681,713,727,733,749,751,755,768,772,782,801,836,852,855,862,898,926,948,968,973,1019,1022 +0410_00060 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0410_00061 15,88,96,134,138,145,157,199,201,203,239,242,245,249,277,298,305,335,343,368,376,405,410,417,421,437,453,487,495,506,508,515,522,530,550,559,563,637,638,654,657,662,669,709,710,741,779,792,797,864,867,968,987,989 +0410_00062 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0410_00063 15,20,26,36,45,60,61,76,85,89,92,129,134,139,153,200,222,245,260,290,302,305,326,358,372,384,408,413,452,461,476,477,499,508,513,516,517,523,527,566,574,583,592,594,614,626,640,681,727,730,732,772,790,801,819,830,843,852,855,862,878,898,916,925,926,934,936,948,964,968,991,1009 +0410_00064 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0410_00065 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0410_00066 1,15,20,25,26,49,60,72,85,87,89,116,134,141,148,222,236,245,255,280,285,291,297,311,315,351,357,393,399,452,467,471,477,499,508,513,560,566,595,603,614,702,727,755,762,768,772,801,836,849,875,902,944,948,968,969,1019,1022 +0410_00067 6,15,20,24,26,42,45,54,55,59,62,63,68,89,94,101,134,153,202,220,272,280,283,309,338,350,353,365,410,441,456,461,495,499,508,515,561,573,626,640,664,668,680,681,704,719,727,767,772,778,786,789,826,834,840,844,865,896,907,932,941,948,963,968,990,994,1000,1022 +0410_00068 3,6,11,13,15,20,24,32,58,75,83,89,93,107,115,134,144,153,205,216,226,236,238,245,252,256,260,270,275,287,318,345,347,377,383,390,433,452,461,468,508,515,533,534,540,547,578,583,603,626,660,710,727,736,762,767,773,776,789,791,797,814,818,845,861,883,936,938,948,956,961,964,968,974,977,988,994,996,1008 diff --git a/processed_data/0410/0410_fingerprints_maccs_canonical_success.tsv b/processed_data/0410/0410_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..4536102e2 --- /dev/null +++ b/processed_data/0410/0410_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,69 @@ +id bits.on +0410_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0410_00002 72,84,89,93,104,109,111,113,114,115,126,127,128,138,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00003 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0410_00004 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0410_00005 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00006 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00007 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00008 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0410_00009 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0410_00010 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0410_00011 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00012 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,113,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00013 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0410_00014 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00015 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00016 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0410_00017 84,104,111,115,151,155,156,158,160,161,162,163,165 +0410_00018 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0410_00019 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0410_00020 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00021 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00022 23,24,38,49,56,63,65,70,71,75,77,79,80,83,84,85,90,93,94,95,96,97,102,106,109,110,111,116,117,119,120,121,122,123,124,126,130,133,135,136,137,140,142,144,146,148,150,151,153,154,155,156,157,158,159,160,161,162,164,165 +0410_00023 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00024 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0410_00025 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00026 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00027 19,38,65,75,77,79,85,86,91,93,95,98,100,105,111,113,115,116,120,121,122,125,127,128,129,135,137,138,139,142,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0410_00028 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0410_00029 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00030 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00031 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0410_00032 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00033 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00034 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0410_00035 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0410_00036 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00037 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00038 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0410_00039 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00040 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0410_00041 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0410_00042 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0410_00043 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00044 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0410_00045 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00046 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0410_00047 34,66,85,86,88,90,91,96,99,100,101,105,108,111,112,114,115,116,118,122,123,126,127,128,129,132,136,138,139,140,141,143,146,147,148,149,150,152,153,154,155,157,158,159,160,161,163,164,165 +0410_00048 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0410_00049 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0410_00050 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0410_00051 8,11,36,45,47,50,52,59,64,65,70,75,76,77,79,80,81,83,85,88,91,92,94,95,96,97,98,99,100,101,104,105,106,110,111,117,120,121,122,123,124,127,130,131,132,133,136,137,138,139,140,142,143,146,148,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00052 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0410_00053 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0410_00054 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00055 33,39,40,48,55,57,58,60,61,67,69,72,73,74,83,84,88,89,90,94,96,98,102,105,106,108,109,112,117,120,123,124,126,129,130,132,136,137,138,140,141,146,148,149,151,152,153,155,156,157,159,160,161,163,164,165 +0410_00056 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0410_00057 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0410_00058 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0410_00059 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00060 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0410_00061 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0410_00062 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00063 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00064 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0410_00065 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00066 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0410_00067 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0410_00068 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0410/0410_fingerprints_maccs_isomeric_success.tsv b/processed_data/0410/0410_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..4536102e2 --- /dev/null +++ b/processed_data/0410/0410_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,69 @@ +id bits.on +0410_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0410_00002 72,84,89,93,104,109,111,113,114,115,126,127,128,138,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00003 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0410_00004 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0410_00005 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00006 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00007 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00008 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0410_00009 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0410_00010 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0410_00011 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00012 8,11,36,45,47,50,54,76,79,81,84,85,88,91,92,95,97,98,99,101,105,110,113,115,117,120,121,122,123,127,131,133,136,137,139,140,142,143,145,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00013 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0410_00014 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00015 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00016 19,36,38,47,62,75,77,78,79,80,81,83,85,86,88,93,96,98,100,105,111,115,116,118,119,120,121,122,129,133,135,137,138,142,144,145,147,148,149,151,153,156,158,160,161,162,163,165 +0410_00017 84,104,111,115,151,155,156,158,160,161,162,163,165 +0410_00018 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0410_00019 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0410_00020 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00021 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00022 23,24,38,49,56,63,65,70,71,75,77,79,80,83,84,85,90,93,94,95,96,97,102,106,109,110,111,116,117,119,120,121,122,123,124,126,130,133,135,136,137,140,142,144,146,148,150,151,153,154,155,156,157,158,159,160,161,162,164,165 +0410_00023 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00024 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0410_00025 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00026 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00027 19,38,65,75,77,79,85,86,91,93,95,98,100,105,111,113,115,116,120,121,122,125,127,128,129,135,137,138,139,142,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0410_00028 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0410_00029 80,82,85,86,91,92,98,100,104,110,111,114,117,118,121,122,128,129,132,133,135,137,138,142,145,147,148,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00030 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,136,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0410_00031 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0410_00032 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00033 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00034 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0410_00035 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0410_00036 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00037 26,50,65,75,76,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,114,115,116,117,120,121,122,128,129,137,138,141,142,145,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0410_00038 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0410_00039 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0410_00040 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0410_00041 75,80,85,86,92,98,100,110,111,114,117,118,121,122,125,128,129,132,133,135,137,138,142,145,147,148,153,154,155,156,158,160,161,162,163,164,165 +0410_00042 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0410_00043 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00044 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0410_00045 22,57,66,72,74,75,83,85,86,89,90,91,93,96,98,100,101,105,108,111,112,113,116,118,120,121,122,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0410_00046 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0410_00047 34,66,85,86,88,90,91,96,99,100,101,105,108,111,112,114,115,116,118,122,123,126,127,128,129,132,136,138,139,140,141,143,146,147,148,149,150,152,153,154,155,157,158,159,160,161,163,164,165 +0410_00048 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0410_00049 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0410_00050 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0410_00051 8,11,36,45,47,50,52,59,64,65,70,75,76,77,79,80,81,83,85,88,91,92,94,95,96,97,98,99,100,101,104,105,106,110,111,117,120,121,122,123,124,127,130,131,132,133,136,137,138,139,140,142,143,146,148,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00052 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0410_00053 19,50,76,82,86,93,99,100,104,105,111,115,116,118,125,144,145,147,151,153,155,158,160,161,162,163,165 +0410_00054 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00055 33,39,40,48,55,57,58,60,61,67,69,72,73,74,83,84,88,89,90,94,96,98,102,105,106,108,109,112,117,120,123,124,126,129,130,132,136,137,138,140,141,146,148,149,151,152,153,155,156,157,159,160,161,163,164,165 +0410_00056 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0410_00057 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0410_00058 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0410_00059 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00060 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0410_00061 19,24,49,56,62,63,70,71,78,79,80,92,94,95,100,102,104,105,110,111,117,119,120,121,122,124,125,127,130,132,133,135,136,137,142,143,144,145,146,148,151,153,154,156,158,159,161,162,163,164,165 +0410_00062 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00063 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0410_00064 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0410_00065 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0410_00066 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0410_00067 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0410_00068 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0410/0410_fingerprints_pubchem_canonical_success.tsv b/processed_data/0410/0410_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..e67b97b54 --- /dev/null +++ b/processed_data/0410/0410_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,69 @@ +id bits.on +0410_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0410_00002 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,417,431,435,442,447,471,477,491,499,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,615,619,620,621,627,631,633,635,638,640,641,642,644,652,654,656,661,663,665,667,669,678,679,680,681,682,683,684,689,690,691,692,697,699,700,701,702,704,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0410_00003 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00004 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0410_00005 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0410_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0410_00007 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0410_00008 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0410_00009 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0410_00010 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0410_00011 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,554,557,565,567,570,571,574,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,619,620,634,635,641,644,646,647,657,659,660,661,665,668,669,672,678,679,680,684,685,689,693,697,705,709,710,711 +0410_00012 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,672,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0410_00013 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00014 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0410_00015 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00016 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0410_00017 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0410_00018 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0410_00019 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0410_00020 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0410_00021 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0410_00022 10,11,15,16,17,19,20,21,144,146,147,256,257,284,285,286,287,300,302,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,381,388,390,391,392,394,396,397,398,402,404,406,417,419,421,424,436,439,443,446,447,448,450,451,452,453,454,455,456,462,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,560,561,567,570,573,597,612,613,616,637,649,655,657,660,675 +0410_00023 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0410_00024 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0410_00025 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0410_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0410_00027 10,11,12,13,15,16,19,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,379,380,382,383,385,388,391,392,397,404,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,462,465,471,473,483,485,488,491,492,496,498,499,507,517,520,521,522,524,525,531,539,541,542,543,544,546,549,550,553,556,557,561,565,567,570,571,574,575,577,578,579,583,585,586,588,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,652,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,756,819 +0410_00028 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0410_00029 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0410_00030 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00031 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0410_00032 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0410_00033 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0410_00034 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0410_00035 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0410_00036 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0410_00037 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0410_00038 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0410_00039 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0410_00040 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0410_00041 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0410_00042 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0410_00043 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0410_00044 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0410_00045 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00046 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0410_00047 10,11,12,13,15,19,20,21,34,144,145,179,180,228,229,284,285,286,287,294,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,381,391,392,406,407,413,417,421,433,435,441,442,444,447,453,491,508,517,536,541,557,572,580,583,615,618,638,641,642,657,659,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,798,819,861 +0410_00048 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0410_00049 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0410_00050 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0410_00051 10,11,12,15,16,17,18,19,20,21,34,35,130,132,133,144,146,147,151,153,154,179,184,185,256,257,258,259,284,285,286,287,294,300,301,309,333,334,339,341,345,346,350,352,353,354,359,366,369,374,375,376,380,381,390,391,392,393,394,397,407,413,417,419,421,422,423,431,438,440,441,442,443,444,448,450,451,452,453,454,468,480,481,487,488,490,492,497,505,508,516,518,520,522,525,529,536,537,540,541,554,561,567,570,574,581,587,597,603,612,614,620,644,645,646,647,655,657,659,660,668,672 +0410_00052 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0410_00053 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0410_00054 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0410_00055 10,11,12,15,19,20,21,22,34,144,147,151,154,179,182,284,285,287,300,306,333,340,342,345,347,353,367,375,381,406,459,460,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0410_00056 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0410_00057 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0410_00058 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0410_00059 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0410_00060 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0410_00061 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0410_00062 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0410_00063 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0410_00064 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0410_00065 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0410_00066 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0410_00067 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0410_00068 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0410/0410_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0410/0410_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..e67b97b54 --- /dev/null +++ b/processed_data/0410/0410_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,69 @@ +id bits.on +0410_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0410_00002 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,417,431,435,442,447,471,477,491,499,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,615,619,620,621,627,631,633,635,638,640,641,642,644,652,654,656,661,663,665,667,669,678,679,680,681,682,683,684,689,690,691,692,697,699,700,701,702,704,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0410_00003 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00004 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0410_00005 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0410_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0410_00007 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0410_00008 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0410_00009 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0410_00010 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0410_00011 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,554,557,565,567,570,571,574,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,619,620,634,635,641,644,646,647,657,659,660,661,665,668,669,672,678,679,680,684,685,689,693,697,705,709,710,711 +0410_00012 10,11,12,13,15,16,19,20,21,34,130,132,133,179,180,184,185,186,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,672,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0410_00013 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00014 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0410_00015 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00016 10,11,12,13,15,16,17,34,144,147,179,180,181,182,186,214,219,220,256,257,258,284,285,286,294,300,333,334,341,345,346,352,354,356,357,366,371,372,375,376,377,378,384,385,391,392,393,394,413,417,419,422,431,435,438,439,442,443,447,450,451,454,465,471,472,481,488,490,491,496,501,503,508,509,512,514,517,520,521,525,532,533,539,541,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,587,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,771,834 +0410_00017 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0410_00018 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0410_00019 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0410_00020 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0410_00021 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0410_00022 10,11,15,16,17,19,20,21,144,146,147,256,257,284,285,286,287,300,302,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,381,388,390,391,392,394,396,397,398,402,404,406,417,419,421,424,436,439,443,446,447,448,450,451,452,453,454,455,456,462,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,560,561,567,570,573,597,612,613,616,637,649,655,657,660,675 +0410_00023 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0410_00024 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0410_00025 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0410_00026 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0410_00027 10,11,12,13,15,16,19,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,379,380,382,383,385,388,391,392,397,404,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,462,465,471,473,483,485,488,491,492,496,498,499,507,517,520,521,522,524,525,531,539,541,542,543,544,546,549,550,553,556,557,561,565,567,570,571,574,575,577,578,579,583,585,586,588,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,652,655,656,657,658,660,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,756,819 +0410_00028 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0410_00029 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,339,341,345,346,352,353,356,366,371,372,375,377,378,385,391,392,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684 +0410_00030 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,623,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00031 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0410_00032 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0410_00033 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0410_00034 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0410_00035 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0410_00036 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0410_00037 10,11,12,13,15,16,19,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,780,798,801,819,822 +0410_00038 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0410_00039 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0410_00040 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0410_00041 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0410_00042 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0410_00043 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0410_00044 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0410_00045 10,11,12,13,15,19,20,21,116,117,144,150,179,180,181,182,183,186,187,193,194,200,207,256,284,285,286,287,309,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,640,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0410_00046 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0410_00047 10,11,12,13,15,19,20,21,34,144,145,179,180,228,229,284,285,286,287,294,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,381,391,392,406,407,413,417,421,433,435,441,442,444,447,453,491,508,517,536,541,557,572,580,583,615,618,638,641,642,657,659,680,681,682,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,798,819,861 +0410_00048 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0410_00049 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0410_00050 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0410_00051 10,11,12,15,16,17,18,19,20,21,34,35,130,132,133,144,146,147,151,153,154,179,184,185,256,257,258,259,284,285,286,287,294,300,301,309,333,334,339,341,345,346,350,352,353,354,359,366,369,374,375,376,380,381,390,391,392,393,394,397,407,413,417,419,421,422,423,431,438,440,441,442,443,444,448,450,451,452,453,454,468,480,481,487,488,490,492,497,505,508,516,518,520,522,525,529,536,537,540,541,554,561,567,570,574,581,587,597,603,612,614,620,644,645,646,647,655,657,659,660,668,672 +0410_00052 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0410_00053 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,644,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0410_00054 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0410_00055 10,11,12,15,19,20,21,22,34,144,147,151,154,179,182,284,285,287,300,306,333,340,342,345,347,353,367,375,381,406,459,460,564,568,583,611,615,638,640,662,663,680,681,682,690,691,701,702 +0410_00056 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0410_00057 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0410_00058 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0410_00059 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0410_00060 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0410_00061 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,393,394,396,402,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,454,455,456,465,471,491,496,503,515,517,521,525,537,539,546,547,550,553,556,557,559,565,570,571,577,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,729,738,759,792,801,822 +0410_00062 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0410_00063 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0410_00064 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0410_00065 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0410_00066 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0410_00067 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0410_00068 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0410/0410_gradient.tsv b/processed_data/0410/0410_gradient.tsv new file mode 100644 index 000000000..f35096d0b --- /dev/null +++ b/processed_data/0410/0410_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.1 95 5 +3 0.1 95 5 +20 0.1 0 100 +29 0.1 0 100 diff --git a/processed_data/0410/0410_info.tsv b/processed_data/0410/0410_info.tsv new file mode 100644 index 000000000..2b70e2f27 --- /dev/null +++ b/processed_data/0410/0410_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0410 10.1007/s00216-015-8540-6 Submitted by Fangyuan Sun Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al ROASMI_30 column temperature diff --git a/processed_data/0410/0410_metadata.tsv b/processed_data/0410/0410_metadata.tsv new file mode 100644 index 000000000..661ae1d7e --- /dev/null +++ b/processed_data/0410/0410_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit column.t0 +0410 Waters Atlantis T3 L1 100.0 2.1 3 0.1 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/processed_data/0410/0410_report_canonical.pdf b/processed_data/0410/0410_report_canonical.pdf new file mode 100644 index 000000000..1f7974bde Binary files /dev/null and b/processed_data/0410/0410_report_canonical.pdf differ diff --git a/processed_data/0410/0410_report_isomeric.pdf b/processed_data/0410/0410_report_isomeric.pdf new file mode 100644 index 000000000..814b5bbba Binary files /dev/null and b/processed_data/0410/0410_report_isomeric.pdf differ diff --git a/processed_data/0410/0410_rtdata_canonical_success.tsv b/processed_data/0410/0410_rtdata_canonical_success.tsv new file mode 100644 index 000000000..66b8a2f2c --- /dev/null +++ b/processed_data/0410/0410_rtdata_canonical_success.tsv @@ -0,0 +1,69 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0410_00001 C4H11N5 3.04 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0410_00002 C14H23NO3 3.15 CCOC1=CC(=C(C=C1CC(C)N)OCC)OC InChI=1S/C14H23NO3/c1-5-17-12-9-13(16-4)14(18-6-2)8-11(12)7-10(3)15/h8-10H,5-7,15H2,1-4H3 IVHFHHXLFFHTTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00003 C17H19NO3 9.52 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00004 C9H13NO 10.9 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0410_00005 C16H19N3O5S 11.17 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24) LSQZJLSUYDQPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0410_00006 C15H25NO3 11.24 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0410_00007 C14H22N2O3 11.3 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0410_00008 C13H22N4O3S 11.37 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0410_00009 C10H16N6S 11.51 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0410_00010 C10H15NO 11.74 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0410_00011 C16H17N3O4S 11.78 CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23) ZAIPMKNFIOOWCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0410_00012 C16H17N3O5S 11.78 CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24) BOEGTKLJZSQCCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0410_00013 C18H21NO3 11.79 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00014 C18H21NO4 12.1 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0410_00015 C19H21NO4 12.47 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3 JJGYGPZNTOPXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00016 C17H20N4S 12.57 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0410_00017 C9H13N 12.62 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00018 C10H15N 12.77 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00019 C14H18N4O3 12.91 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00020 C10H13NO2 12.92 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00021 C11H15NO2 13 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00022 C6H8N4O4 13.19 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11) PQFRTXSWDXZRRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0410_00023 C8H9NO2 13.34 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0410_00024 C6H9N3O3 13.34 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0410_00025 C14H22N2O 13.4 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0410_00026 C12H17NO2 13.45 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00027 C17H19N3O 13.63 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3 DAWYIZBOUQIVNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0410_00028 C8H14N2O2 13.7 CCC(C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12) HPHUVLMMVZITSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0410_00029 C14H20N2O 13.92 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0410_00030 C21H23NO5 14.07 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3 GVGLGOZIDCSQPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00031 C16H25NO2 14.19 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00032 C17H21NO4 14.29 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0410_00033 C22H24N2O8 14.5 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) NWXMGUDVXFXRIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0410_00034 C11H13N3O3S 14.56 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0410_00035 C17H19N3 14.62 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0410_00036 C22H24N2O9 14.8 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) OWFJMIVZYSDULZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0410_00037 C20H25N3O 15.06 CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3 VAYOSLLFUXYJDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0410_00038 C8H10N4O2 15.23 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0410_00039 C16H19NO4 15.65 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0410_00040 C17H27NO2 15.74 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00041 C22H28N2O 15.75 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0410_00042 C14H15O2PS2 16.18 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0410_00043 C16H21NO2 16.22 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0410_00044 C19H21NO 16.67 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0410_00045 C29H41NO4 16.82 CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3 RMRJXGBAOAMLHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0410_00046 C12H14N2O2 17.12 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0410_00047 C28H47NO4S 17.31 CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3 UURAUHCOJAIIRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Mutilane diterpenoids (CHEMONTID:0002930) Mutilin derivatives (CHEMONTID:0002002) +0410_00048 C19H24N2 17.57 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0410_00049 C46H77NO17 17.61 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00050 C21H27NO 17.62 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0410_00051 C14H14N8O4S3 17.62 CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26) MLYYVTUWGNIJIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0410_00052 C20H23N 17.87 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0410_00053 C19H21N 18.02 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0410_00054 C13H11NO5 18.28 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0410_00055 C12H21NO8S 18.34 CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15) KJADKKWYZYXHBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxolopyrans (CHEMONTID:0001985) NA (NA) NA (NA) NA (NA) +0410_00056 C17H19N3O3S 18.72 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0410_00057 C38H72N2O12 18.73 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00058 C38H69NO13 18.73 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00059 C21H28O5 20.03 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00060 C15H12N2O 20.16 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0410_00061 C15H11N3O3 20.43 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0410_00062 C21H30O5 20.63 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00063 C22H30O5 21.4 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00064 C16H14O3 21.83 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0410_00065 C24H29N5O3 24.41 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0410_00066 C21H30O2 24.8 CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3 RJKFOVLPORLFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0410_00067 C22H30O4 26.95 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1C(=O)O)(C)C)C)O InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17(23)19-15-11-13(2)9-10-16(15)22(3,4)26-20(19)18(14)21(24)25/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25) VITZNDKHSIWPSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0410_00068 C25H38O5 27.15 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0410/0410_rtdata_isomeric_success.tsv b/processed_data/0410/0410_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..5600e25b6 --- /dev/null +++ b/processed_data/0410/0410_rtdata_isomeric_success.tsv @@ -0,0 +1,69 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0410_00001 C4H11N5 3.04 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0410_00002 C14H23NO3 3.15 CCOC1=CC(=C(C=C1CC(C)N)OCC)OC InChI=1S/C14H23NO3/c1-5-17-12-9-13(16-4)14(18-6-2)8-11(12)7-10(3)15/h8-10H,5-7,15H2,1-4H3 IVHFHHXLFFHTTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00003 C17H19NO3 9.52 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00004 C9H13NO 10.9 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0410_00005 C16H19N3O5S 11.17 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 LSQZJLSUYDQPKJ-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0410_00006 C15H25NO3 11.24 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0410_00007 C14H22N2O3 11.3 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0410_00008 C13H22N4O3S 11.37 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0410_00009 C10H16N6S 11.51 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0410_00010 C10H15NO 11.74 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0410_00011 C16H17N3O4S 11.78 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 ZAIPMKNFIOOWCQ-UEKVPHQBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0410_00012 C16H17N3O5S 11.78 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1 BOEGTKLJZSQCCD-UEKVPHQBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0410_00013 C18H21NO3 11.79 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00014 C18H21NO4 12.1 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0410_00015 C19H21NO4 12.47 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 JJGYGPZNTOPXGV-SSTWWWIQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00016 C17H20N4S 12.57 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) NA (NA) NA (NA) NA (NA) +0410_00017 C9H13N 12.62 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00018 C10H15N 12.77 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0410_00019 C14H18N4O3 12.91 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00020 C10H13NO2 12.92 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00021 C11H15NO2 13 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00022 C6H8N4O4 13.19 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11) PQFRTXSWDXZRRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0410_00023 C8H9NO2 13.34 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0410_00024 C6H9N3O3 13.34 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0410_00025 C14H22N2O 13.4 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0410_00026 C12H17NO2 13.45 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0410_00027 C17H19N3O 13.63 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC(=C4)O InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3 DAWYIZBOUQIVNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0410_00028 C8H14N2O2 13.7 CC[C@@H](C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1 HPHUVLMMVZITSG-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0410_00029 C14H20N2O 13.92 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 PMCBDBWCQQBSRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0410_00030 C21H23NO5 14.07 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1 GVGLGOZIDCSQPN-PVHGPHFFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0410_00031 C16H25NO2 14.19 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00032 C17H21NO4 14.29 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0410_00033 C22H24N2O8 14.5 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 NWXMGUDVXFXRIG-WESIUVDSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0410_00034 C11H13N3O3S 14.56 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0410_00035 C17H19N3 14.62 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0410_00036 C22H24N2O9 14.8 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 OWFJMIVZYSDULZ-PXOLEDIWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0410_00037 C20H25N3O 15.06 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 VAYOSLLFUXYJDT-RDTXWAMCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) NA (NA) NA (NA) +0410_00038 C8H10N4O2 15.23 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0410_00039 C16H19NO4 15.65 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0410_00040 C17H27NO2 15.74 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0410_00041 C22H28N2O 15.75 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 PJMPHNIQZUBGLI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Fentanyls (CHEMONTID:0000372) NA (NA) NA (NA) +0410_00042 C14H15O2PS2 16.18 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0410_00043 C16H21NO2 16.22 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0410_00044 C19H21NO 16.67 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0410_00045 C29H41NO4 16.82 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 RMRJXGBAOAMLHD-IHFGGWKQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0410_00046 C12H14N2O2 17.12 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0410_00047 C28H47NO4S 17.31 CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 UURAUHCOJAIIRQ-QGLSALSOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Mutilane diterpenoids (CHEMONTID:0002930) Mutilin derivatives (CHEMONTID:0002002) +0410_00048 C19H24N2 17.57 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0410_00049 C46H77NO17 17.61 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00050 C21H27NO 17.62 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0410_00051 C14H14N8O4S3 17.62 CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 MLYYVTUWGNIJIB-BXKDBHETSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0410_00052 C20H23N 17.87 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0410_00053 C19H21N 18.02 CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 PHVGLTMQBUFIQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0410_00054 C13H11NO5 18.28 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0410_00055 C12H21NO8S 18.34 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 KJADKKWYZYXHBB-XBWDGYHZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxolopyrans (CHEMONTID:0001985) NA (NA) NA (NA) NA (NA) +0410_00056 C17H19N3O3S 18.72 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0410_00057 C38H72N2O12 18.73 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00058 C38H69NO13 18.73 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0410_00059 C21H28O5 20.03 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 MFYSYFVPBJMHGN-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00060 C15H12N2O 20.16 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0410_00061 C15H11N3O3 20.43 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) KJONHKAYOJNZEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodiazepines (CHEMONTID:0000295) 1,4-benzodiazepines (CHEMONTID:0004097) NA (NA) NA (NA) +0410_00062 C21H30O5 20.63 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00063 C22H30O5 21.4 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-PJHHCJLFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0410_00064 C16H14O3 21.83 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0410_00065 C24H29N5O3 24.41 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0410_00066 C21H30O2 24.8 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 RJKFOVLPORLFTN-LEKSSAKUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0410_00067 C22H30O4 26.95 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1C(=O)O)(C)C)C)O InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17(23)19-15-11-13(2)9-10-16(15)22(3,4)26-20(19)18(14)21(24)25/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1 VITZNDKHSIWPSR-HZPDHXFCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0410_00068 C25H38O5 27.15 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 RYMZZMVNJRMUDD-HGQWONQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0410/0410_validation_qspr_outliers.tsv b/processed_data/0410/0410_validation_qspr_outliers.tsv new file mode 100644 index 000000000..9269ae88f --- /dev/null +++ b/processed_data/0410/0410_validation_qspr_outliers.tsv @@ -0,0 +1,5 @@ +id error +0410_00019 5.357691785449976 +0410_00042 4.430356097578336 +0410_00064 5.84097405445779 +0410_00068 4.361957621070232 diff --git a/processed_data/0411/0411_descriptors_canonical_success.tsv b/processed_data/0411/0411_descriptors_canonical_success.tsv new file mode 100644 index 000000000..ceb60f2ea --- /dev/null +++ b/processed_data/0411/0411_descriptors_canonical_success.tsv @@ -0,0 +1,51 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0411_00001 11.996320019092286 15.999284964244683 -0.3849386551420788 0.2915370608287948 4.18515183457156 8.628258063018755 0.2857142857142857 -0.357 154.12041551074833 0 0 1.79 7 6 12 0 17 0 0 -0.26850000000000007 0.07209225000000004 37.10990000000001 0 2 0 1 0 0 0 1 1 0 0 0 0.3620153716515586 58 139 14 22.28452180658804 2.0258656187807307 11.12278867843576 11.12278867843576 0 4.584962500721156 55.760000000000005 0.6666666666666666 0.4 0 0 0 0 1.3103706971044482 6.0855537349701585 0 3.5327755290014426 0 0 0.19999999999999996 1.3374806099528442 0.25 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khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 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133,134,153,158,166,214,245,312,326,419,420,461,464,508,513,522,584,626,640,647,717,767,769,889,899,942,950,968 +0411_00003 15,16,18,26,64,86,89,118,130,132,134,139,153,156,182,212,220,245,256,260,301,323,326,391,440,461,493,499,508,538,573,579,624,626,649,672,680,683,719,725,754,767,795,801,848,879,883,922,936,948,968,974,1004 +0411_00004 15,16,26,33,51,64,86,89,98,134,139,147,152,153,182,212,220,260,273,326,401,425,461,493,499,518,562,572,579,596,626,628,680,719,722,754,767,795,803,811,819,834,848,883,925,936,948,968,974,1007 +0411_00005 15,18,26,46,64,69,89,130,132,134,139,153,212,220,229,245,301,326,383,391,440,461,499,506,508,538,553,573,626,630,639,649,672,680,682,713,724,725,754,767,819,835,836,845,848,881,922,936,948,968,974,1001,1004 +0411_00006 2,15,18,26,64,69,73,89,120,122,130,132,134,139,153,170,212,218,220,240,245,260,273,282,301,311,326,327,330,346,347,369,383,391,435,440,461,499,506,508,510,538,562,573,626,639,649,651,660,672,680,682,719,725,732,754,764,767,787,791,804,819,835,848,850,874,881,898,922,936,948,968,974,992,1004 +0411_00007 15,18,20,26,64,71,86,89,130,132,134,139,153,156,182,212,220,245,301,323,326,333,347,372,391,440,448,461,499,508,538,573,624,626,649,668,672,680,719,725,727,754,762,767,795,848,864,879,886,922,931,936,948,968,974,977,982,1004,1011 +0411_00008 8,15,18,26,58,70,89,110,130,132,134,139,153,172,181,214,220,243,245,253,260,289,301,326,391,440,457,461,499,507,508,509,538,573,593,626,649,672,725,754,767,783,819,836,865,922,932,936,948,960,962,968,974,1004 +0411_00009 15,20,26,32,33,51,64,71,86,89,98,134,153,182,187,190,212,220,245,273,333,347,348,372,461,487,499,508,524,544,549,572,626,628,680,688,719,722,727,754,762,767,795,803,811,819,834,839,848,850,864,886,894,913,925,936,948,959,968,974,977,982,989 +0411_00010 15,18,20,26,46,64,75,89,103,130,132,134,143,153,187,212,220,245,301,347,348,383,391,404,409,461,499,508,538,544,553,573,602,626,630,644,649,672,680,713,724,725,727,754,762,767,819,835,836,845,848,881,886,922,936,948,959,968,974,989,1001,1004 +0411_00011 1,6,15,23,84,85,89,134,176,220,235,289,321,360,410,439,479,487,508,524,540,550,568,583,596,635,662,666,683,686,712,756,762,767,778,781,786,797,867,881,887,896,908,912,934,948,968,988,991,1002,1010,1013 +0411_00012 15,26,36,61,72,89,109,134,139,153,187,196,234,245,270,296,318,326,330,371,387,389,416,421,485,500,508,524,536,552,560,563,590,626,665,674,680,682,686,719,773,815,844,847,866,884,893,908,923,936,948,951,954,967,968,969,970,973 +0411_00013 15,18,20,26,64,69,89,120,130,132,133,134,139,153,212,218,220,245,285,287,301,326,347,383,391,440,443,455,461,499,506,508,510,538,542,573,626,639,649,672,680,682,725,727,732,754,762,767,819,835,848,850,881,886,898,922,936,948,968,974,982,1004 +0411_00014 4,15,26,42,44,46,74,89,95,105,119,134,175,193,203,245,250,252,347,392,399,404,422,442,461,469,471,483,508,512,515,522,534,549,569,574,576,586,589,608,626,630,632,656,657,681,683,705,711,728,748,778,791,799,804,813,855,858,863,866,908,948,950,968,987,1022 +0411_00015 4,13,15,42,52,74,88,89,93,95,117,134,145,150,151,180,193,199,245,268,298,311,347,384,404,422,442,461,465,490,508,515,534,549,571,575,576,578,606,656,681,683,700,705,716,748,772,778,781,782,786,813,833,858,859,871,892,899,941,948,968,973,1005,1011,1012,1013,1022 +0411_00016 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0411_00017 4,13,15,42,44,46,74,88,89,93,95,117,134,150,193,199,245,252,298,311,347,392,404,422,442,461,465,508,515,522,534,549,575,576,578,586,606,630,656,681,683,700,705,716,748,772,778,781,782,786,813,858,863,871,892,899,941,948,968,987,1005,1011,1022 +0411_00018 12,15,20,23,26,49,61,75,85,86,89,105,110,111,117,127,134,144,153,155,175,189,199,207,236,237,240,245,260,272,280,281,285,288,313,314,323,347,366,371,383,389,398,407,417,421,422,432,438,461,479,487,497,499,508,516,517,520,524,540,543,550,576,597,603,621,626,635,654,662,663,666,668,677,683,686,695,713,714,727,762,764,767,772,778,781,785,786,797,802,816,855,863,875,883,896,924,927,940,948,968,969,978,983,991,1010,1018 +0411_00019 6,26,28,58,63,96,106,111,131,134,144,156,160,195,207,209,210,219,238,241,245,251,254,298,309,347,352,373,387,395,398,405,411,421,425,473,474,479,483,487,502,504,508,511,516,524,549,550,554,575,582,603,611,612,626,640,647,662,663,723,739,787,823,824,836,849,850,923,946,948,958,968,977,985,995,1000,1006,1009 +0411_00020 4,15,20,24,26,38,52,79,81,89,134,141,151,153,192,210,214,238,245,256,266,306,317,332,343,347,364,368,370,387,405,460,461,462,487,499,503,508,523,524,525,534,549,554,555,561,572,586,633,647,656,703,717,727,742,762,772,783,798,819,827,863,886,900,943,948,950,953,957,965,968,982,991,1012,1022,1024 +0411_00021 15,20,26,28,61,67,72,85,86,89,105,110,111,117,134,150,175,189,207,213,236,237,240,245,250,260,266,272,280,288,314,323,347,355,356,371,383,389,398,407,421,422,438,450,458,461,475,479,487,497,502,508,516,517,520,524,540,548,550,561,580,597,599,621,626,635,654,662,663,666,677,683,686,695,713,714,715,727,762,767,772,778,781,785,786,797,802,855,863,866,875,883,896,924,933,940,948,968,969,978,991,1010,1018 +0411_00022 15,16,20,26,49,64,73,86,89,98,134,139,147,152,153,182,207,212,220,260,273,304,326,347,370,401,420,425,461,493,499,508,511,520,541,563,579,596,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,848,858,883,885,936,948,968,974,986,987,988,1007 +0411_00023 4,6,13,15,42,44,46,74,86,89,93,95,119,134,148,193,234,245,252,303,318,347,392,394,404,422,442,461,471,508,515,522,534,542,544,549,556,576,578,586,630,648,656,681,683,700,705,748,778,786,813,858,863,877,886,906,941,948,968,987,1005,1011,1013,1022 +0411_00024 15,20,26,28,61,67,72,85,86,89,105,110,111,117,134,150,175,189,207,213,236,237,240,245,250,260,266,272,280,288,314,323,347,355,356,371,383,389,398,407,421,422,438,450,458,461,475,479,487,497,502,508,516,517,520,524,540,548,550,561,580,597,599,621,626,635,654,662,663,666,677,683,686,695,713,714,715,727,762,767,772,778,781,785,786,797,802,855,863,866,875,883,896,924,933,940,948,968,969,978,991,1010,1018 +0411_00025 15,20,24,26,54,61,62,84,85,89,96,111,134,135,144,145,148,153,175,189,207,213,214,237,245,257,260,266,270,280,289,313,314,340,347,364,371,383,389,398,402,421,429,438,451,461,479,487,497,508,516,524,540,545,548,550,558,564,579,580,588,596,599,603,626,635,662,663,666,668,677,683,686,711,712,713,715,716,726,727,737,762,769,772,778,781,784,786,787,797,798,802,831,834,855,866,867,870,872,887,896,899,904,908,912,924,932,948,964,968,985,991,1010 +0411_00026 15,20,26,49,61,85,86,89,105,110,111,117,134,144,150,153,175,189,207,213,236,237,240,245,260,266,272,280,281,288,313,314,323,347,371,383,389,398,407,421,422,432,438,461,475,479,487,497,508,516,517,520,524,540,541,548,550,558,576,580,597,599,603,621,626,635,654,662,663,666,668,677,683,686,695,713,714,715,727,762,764,767,772,778,781,785,786,797,802,816,855,863,866,875,883,896,904,924,927,940,948,968,969,978,991,1010,1018 +0411_00027 15,16,20,26,49,64,73,86,89,98,122,134,152,153,182,190,207,212,220,230,260,273,304,347,348,370,420,461,487,493,499,508,511,520,524,544,549,563,579,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,848,850,858,874,883,885,886,936,948,959,968,974,986,987,988,989,1007 +0411_00028 20,35,76,89,94,134,135,187,193,220,245,256,260,284,320,326,332,338,364,385,418,456,461,471,473,495,508,539,565,626,640,682,727,760,764,823,827,895,931,937,943,948,950,968,972,982 +0411_00029 15,20,24,26,61,62,85,86,89,96,105,110,111,117,134,144,145,150,153,175,189,207,213,214,236,237,240,245,260,266,270,272,280,288,313,314,323,340,347,371,383,389,398,407,421,422,438,451,461,475,479,487,497,508,516,517,520,524,540,548,550,558,580,588,597,599,603,621,626,635,654,662,663,666,668,677,683,686,695,711,713,714,715,727,762,767,769,772,778,781,785,786,797,798,802,831,855,863,866,872,875,883,896,904,924,940,948,968,969,978,991,1010,1018 +0411_00030 15,20,24,26,61,62,85,86,89,96,105,110,111,117,134,144,145,150,153,175,189,207,213,214,236,237,240,245,260,266,270,272,280,288,313,314,323,340,347,371,383,389,398,407,421,422,438,451,461,475,479,487,497,508,516,517,520,524,540,548,550,558,580,588,597,599,603,621,626,635,654,662,663,666,668,677,683,686,695,711,713,714,715,727,762,767,769,772,778,781,785,786,797,798,802,831,855,863,866,872,875,883,896,904,924,940,948,968,969,978,991,1010,1018 +0411_00031 15,26,38,58,84,89,96,111,132,134,144,148,151,152,156,160,195,207,215,245,255,264,325,344,382,387,395,405,425,431,473,479,480,487,503,506,508,524,533,550,559,567,600,603,607,611,613,630,646,662,686,692,721,739,761,786,787,797,810,819,825,829,836,840,850,869,946,948,958,968,977,985,999,1024 +0411_00032 15,49,89,96,133,134,140,145,153,154,177,199,207,226,245,260,264,332,348,362,379,382,414,421,487,491,508,509,524,540,543,550,554,570,576,582,585,625,640,662,677,679,685,686,698,702,704,713,749,764,802,816,825,829,836,845,850,898,921,936,948,953,968,977,978,988,999,1006,1018 +0411_00033 15,20,21,28,40,52,82,94,134,140,153,162,220,223,236,243,245,280,321,328,330,347,378,419,437,461,480,494,508,530,538,549,563,569,626,640,656,670,683,727,744,746,752,757,762,774,778,845,850,857,884,895,906,912,924,948,1001,1012,1016,1022 +0411_00034 1,11,15,20,62,68,69,87,89,94,96,107,134,145,153,175,207,210,230,237,245,251,254,260,270,298,310,328,363,364,374,421,446,447,461,487,493,500,508,516,534,540,550,556,558,583,588,602,626,640,643,656,673,683,727,739,763,774,780,842,891,922,948,968,983,988,989,1009 +0411_00035 15,20,26,49,64,71,73,86,89,98,134,153,182,187,190,207,212,220,227,230,245,273,304,333,347,348,370,372,420,461,487,499,508,511,520,524,544,549,563,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,839,848,850,858,864,885,886,894,913,936,948,959,968,974,977,982,986,987,988,989 +0411_00036 9,12,20,35,39,42,62,84,94,107,134,141,145,148,151,152,153,178,180,197,207,225,231,236,254,262,282,314,319,324,347,362,390,396,398,445,469,479,480,481,491,497,508,511,529,552,608,626,638,640,646,667,704,705,727,762,773,775,777,778,779,802,826,832,868,876,912,913,948,977,994,1017 +0411_00037 1,10,11,15,17,59,61,89,132,134,179,182,217,231,237,245,260,289,301,309,325,353,363,367,368,383,417,446,452,461,498,508,515,529,534,554,566,626,634,640,656,661,676,683,688,723,742,763,772,818,827,885,909,927,936,947,948,968,987,1009,1017 +0411_00038 1,11,15,17,20,70,89,134,179,214,231,237,245,260,305,353,363,367,417,446,461,467,473,480,499,508,515,529,534,554,626,640,656,661,676,683,688,720,728,742,762,763,772,788,818,827,885,909,927,936,947,948,968,976,982,983,1022 +0411_00039 15,17,134,146,168,188,220,245,320,353,354,367,371,426,438,452,457,460,461,497,508,515,517,529,542,587,626,640,654,656,661,676,683,703,748,759,778,861,927,935,947,948,968,994 +0411_00040 12,13,20,35,39,42,62,72,84,94,107,111,134,141,145,148,151,152,153,178,180,197,207,225,231,236,254,262,282,319,324,330,347,362,390,396,398,399,420,445,469,479,480,481,491,497,508,511,529,552,556,608,626,638,640,646,704,705,727,759,762,773,775,777,778,779,802,826,832,876,913,948,977,994,1017 +0411_00041 1,10,11,15,17,59,61,89,132,134,179,182,217,231,237,245,260,289,301,309,325,353,363,367,368,383,417,446,452,461,498,508,515,529,534,554,566,626,634,640,656,661,676,683,688,723,742,763,772,818,827,885,909,927,936,947,948,968,987,1009,1017 +0411_00042 1,15,17,20,89,103,134,185,214,237,245,260,305,309,353,363,394,417,446,461,467,480,499,508,515,529,534,554,597,626,630,640,656,661,668,676,679,683,688,698,728,762,763,772,775,788,827,885,927,947,948,968,982,983,1016,1022 +0411_00043 1,10,15,17,89,103,132,134,182,217,237,245,260,289,301,309,325,353,363,368,394,417,446,452,461,508,515,529,534,554,566,597,626,630,634,640,656,661,668,676,679,683,688,723,762,763,772,775,876,885,927,947,948,968,985,987,1009,1017,1022,1024 +0411_00044 5,9,12,13,20,35,39,62,84,94,107,128,134,141,145,148,151,152,153,178,180,183,197,207,225,231,236,262,282,289,314,319,324,347,362,390,396,398,399,445,469,479,480,481,497,508,511,520,529,552,556,608,625,626,638,640,646,704,727,762,773,775,777,778,779,802,826,832,868,912,948,977,994,1017 +0411_00045 20,26,61,89,134,156,163,171,188,205,220,245,260,274,275,289,304,321,332,342,347,364,407,427,461,488,499,508,513,514,549,551,563,568,626,647,711,724,726,733,737,738,748,761,762,772,777,778,782,784,798,811,819,829,839,850,855,924,934,936,938,948,968,979,980,984,992,1008,1024 +0411_00046 15,16,18,20,26,32,52,71,89,106,108,134,136,153,157,174,175,211,221,227,237,245,246,260,281,320,347,364,367,371,373,387,388,389,400,409,421,433,438,453,461,478,479,492,499,505,508,515,521,523,524,531,549,550,588,626,632,639,654,663,677,679,686,713,715,721,733,745,762,772,778,782,804,812,819,823,824,844,850,855,884,897,929,936,940,943,948,963,968,982,1006 +0411_00047 4,6,15,42,64,74,75,86,89,93,95,119,134,148,193,226,234,245,261,263,283,302,303,309,318,347,353,389,408,441,461,471,487,508,515,534,542,544,549,550,552,556,597,626,640,648,683,700,705,748,778,781,786,799,813,827,877,886,894,906,914,918,941,948,968,1005,1011,1013 +0411_00048 14,15,26,35,40,42,54,62,64,67,71,89,127,128,134,153,214,222,226,241,245,260,273,280,290,297,353,395,461,466,471,480,490,499,508,515,530,535,540,552,563,565,582,594,626,640,654,656,662,668,749,754,756,769,772,783,786,791,796,836,871,873,920,936,948,953,963,968,973,992,1014,1018 +0411_00049 3,15,20,26,50,72,78,84,89,90,94,116,120,133,144,153,161,177,205,212,218,222,246,254,261,272,309,333,347,381,414,416,461,467,469,499,508,514,521,523,540,547,549,551,566,597,626,636,643,657,663,695,698,700,727,737,738,757,762,768,772,796,829,850,860,880,911,948,965,969,980,992 +0411_00050 15,18,26,39,89,96,119,129,131,134,136,137,144,161,183,201,202,222,229,245,272,280,282,291,305,317,335,340,373,380,411,442,461,473,487,495,499,503,506,508,513,526,529,540,542,550,554,564,609,625,626,630,654,657,662,666,673,696,701,714,741,764,772,783,786,797,805,809,814,835,855,905,916,948,968,974,977,991,996,1012 diff --git a/processed_data/0411/0411_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0411/0411_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..4b5921a95 --- /dev/null +++ b/processed_data/0411/0411_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0411_00001 15,25,41,89,110,134,151,223,242,245,274,461,486,489,493,508,513,532,544,568,614,626,733,739,747,748,782,877,902,936,968,973,983 +0411_00002 133,134,153,158,166,214,245,312,326,419,420,461,464,508,513,522,584,626,640,647,717,767,769,889,899,942,950,968 +0411_00003 2,4,15,26,36,73,89,108,134,139,146,153,167,212,220,226,245,255,267,270,326,340,374,440,461,476,483,499,508,515,538,573,577,626,649,689,719,742,767,795,820,825,832,860,916,919,922,936,948,968,974,985,1016 +0411_00004 2,15,26,43,56,64,89,134,139,153,167,198,212,220,246,326,363,371,374,427,440,444,461,499,513,554,599,626,627,628,696,719,741,759,767,795,819,834,837,860,880,883,917,919,928,936,948,968,974,985,995 +0411_00005 2,4,15,26,36,39,73,78,89,108,134,139,153,167,212,220,245,270,326,440,450,461,483,499,508,515,538,573,580,626,635,649,689,706,729,750,767,799,819,825,828,835,860,911,922,936,948,968,974,1007,1016 +0411_00006 2,15,25,26,36,60,73,85,89,93,108,134,139,153,167,200,212,216,220,227,245,260,270,300,307,311,326,347,351,404,417,440,442,450,461,466,483,493,499,508,515,538,540,557,562,573,590,602,626,631,635,649,689,719,729,743,767,819,821,825,828,835,836,860,895,911,922,936,948,968,974,1007,1016,1020 +0411_00007 2,4,15,20,26,36,73,84,89,108,134,139,146,153,167,212,220,243,245,255,267,270,326,347,396,406,411,440,461,467,476,483,499,508,515,538,566,569,573,626,649,662,689,691,719,727,762,767,795,820,825,851,860,862,886,922,936,948,968,974,982,1016 +0411_00008 8,15,21,26,36,39,58,73,89,108,128,134,139,147,153,160,176,220,245,270,297,302,326,334,440,461,472,483,499,508,515,538,573,593,598,626,649,657,677,689,704,718,750,767,804,819,860,890,922,936,948,968,974,1016 +0411_00009 2,15,20,26,30,56,89,134,146,153,158,167,198,201,212,220,243,317,329,347,348,371,393,396,406,418,461,476,492,499,508,513,544,554,557,566,569,585,626,627,636,662,696,719,727,762,767,795,819,825,834,837,851,860,880,883,886,936,948,959,968,974,982,989 +0411_00010 2,4,15,20,26,36,39,50,73,78,89,103,108,130,134,153,167,212,220,245,270,347,348,432,454,461,483,499,508,515,538,544,573,580,602,626,635,649,689,727,740,750,762,767,799,819,825,828,835,860,886,922,936,948,959,968,974,989,1007,1016 +0411_00011 11,15,56,84,85,89,134,220,254,335,408,410,439,478,479,487,508,524,540,550,554,564,612,635,662,666,683,686,696,733,736,747,762,767,773,774,778,781,786,797,805,806,811,843,867,887,896,908,912,948,968,991,1002,1010 +0411_00012 15,26,75,89,92,134,139,143,153,154,177,180,208,231,244,245,295,318,326,357,360,365,367,389,407,421,436,441,447,485,487,500,502,508,510,524,537,552,557,568,618,626,686,706,713,719,735,750,773,820,846,866,884,893,906,936,948,968,973 +0411_00013 2,15,20,26,36,60,73,77,89,108,134,139,153,167,212,220,227,245,270,296,326,347,397,404,440,450,461,466,483,499,508,515,538,540,573,580,626,635,649,689,727,729,730,762,767,819,825,828,835,860,886,911,922,936,948,968,974,982,991,1007,1016,1020 +0411_00014 4,15,26,42,44,46,66,74,89,95,119,134,159,175,193,203,245,252,261,310,347,392,399,404,422,442,461,469,471,505,508,512,515,522,525,534,549,574,576,586,608,619,626,630,656,657,673,678,681,683,705,728,740,748,763,776,778,791,804,813,855,858,863,948,968,987,1022 +0411_00015 4,9,13,15,42,52,55,74,82,89,93,95,134,145,151,180,193,245,268,298,347,384,413,422,442,457,461,490,508,515,534,549,571,575,576,578,598,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,833,858,859,927,937,941,948,964,968,973,1005,1011,1012,1013,1022 +0411_00016 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0411_00017 4,9,13,15,42,44,46,55,74,82,89,93,95,134,193,245,252,298,347,392,404,413,422,442,457,461,508,515,522,534,549,575,576,578,586,598,630,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,858,863,927,937,941,948,964,968,987,1005,1011,1022 +0411_00018 6,15,20,26,40,49,51,52,56,61,85,89,105,110,111,126,134,143,145,146,153,155,163,175,207,221,237,245,270,272,277,280,305,320,323,347,354,358,371,389,421,438,442,443,452,461,479,487,490,499,508,516,524,529,540,550,565,566,589,597,600,620,626,629,635,654,662,663,666,677,683,686,714,727,743,744,762,764,767,768,772,774,778,781,786,797,802,816,829,833,840,855,859,896,927,930,933,940,942,948,968,974,975,979,991,1010,1018 +0411_00019 6,7,26,28,58,62,66,96,111,122,131,134,144,156,160,195,207,209,238,245,251,254,286,298,309,347,373,387,395,405,425,460,467,473,479,487,504,508,511,516,524,549,550,554,575,582,603,611,612,626,640,647,654,662,663,697,723,739,748,755,787,824,836,849,850,857,912,923,946,948,958,968,970,977,985,995,1006,1009 +0411_00020 15,20,26,30,38,52,59,81,86,89,102,111,134,141,151,153,192,206,245,254,256,293,310,332,333,343,347,363,364,405,433,461,462,488,499,508,527,534,549,554,555,561,579,586,593,617,656,668,683,703,717,727,729,743,756,762,771,772,782,798,806,819,827,831,834,841,856,863,886,905,915,943,948,950,957,965,968,982,1022 +0411_00021 4,8,15,20,26,52,61,85,86,89,94,105,110,111,134,143,145,175,185,207,212,221,227,237,245,246,247,272,277,280,323,335,347,353,354,365,371,389,421,438,443,450,455,458,461,479,482,487,508,513,516,524,529,538,540,548,550,566,589,597,602,619,626,630,635,654,662,663,666,669,677,683,686,714,727,738,739,744,762,767,772,778,781,786,797,802,829,833,840,855,856,869,875,896,930,933,940,943,948,968,975,979,991,1010,1018,1023 +0411_00022 2,15,20,26,49,89,134,139,146,153,167,207,212,220,221,226,236,317,326,347,371,374,393,413,420,440,461,476,499,508,511,525,526,556,563,599,606,612,626,628,640,719,727,744,748,760,762,767,794,795,802,819,825,832,834,860,871,880,883,885,919,936,948,953,968,974,985,1003 +0411_00023 4,13,15,42,44,46,74,89,93,95,114,119,134,193,226,234,238,245,252,318,347,392,404,422,425,435,442,443,461,471,485,508,515,516,522,534,549,576,578,586,630,656,681,683,700,704,705,747,748,778,786,813,858,863,877,941,948,968,987,999,1001,1005,1011,1022 +0411_00024 8,15,20,26,51,52,61,85,89,94,105,110,111,126,134,143,145,146,175,185,207,212,227,237,245,247,270,272,277,280,323,335,347,353,354,371,389,421,438,442,443,449,450,455,458,461,479,487,508,513,516,524,529,538,540,548,550,566,589,597,602,626,635,654,662,663,666,669,677,683,686,714,727,738,743,744,762,767,768,772,778,781,786,797,802,829,833,840,855,856,869,896,930,933,940,948,968,974,975,979,991,1010,1018,1023 +0411_00025 15,20,26,39,52,56,61,62,66,84,85,89,96,111,132,134,139,145,153,175,207,208,214,230,237,243,245,246,247,270,277,280,324,332,337,347,352,353,354,364,365,371,389,402,421,438,450,461,478,479,487,508,513,516,524,540,548,550,564,566,574,588,589,596,600,626,629,634,635,648,662,663,666,669,675,677,683,686,727,730,762,769,772,778,781,784,786,794,797,798,802,806,822,843,855,856,867,869,887,896,899,908,912,930,937,948,951,964,968,979,991,1010,1023 +0411_00026 4,15,20,26,49,52,56,61,85,86,89,105,110,111,134,143,145,153,155,163,175,207,221,237,245,246,247,272,277,280,323,347,353,354,365,371,389,421,438,443,450,452,461,479,482,487,508,513,516,524,529,540,548,550,565,566,589,597,600,619,626,629,630,635,648,654,662,663,666,669,677,683,686,714,719,727,739,744,762,764,767,768,772,778,781,786,797,802,816,829,833,840,855,856,869,875,887,896,930,933,940,943,948,968,975,979,991,1010,1018,1023 +0411_00027 2,7,15,20,26,49,89,134,146,153,158,167,206,207,212,220,221,226,283,317,347,348,371,374,393,413,418,420,461,476,492,499,508,511,526,544,556,563,606,612,626,636,640,719,727,744,748,762,767,794,795,802,819,825,832,834,860,871,880,883,885,886,919,936,948,953,959,968,974,985,989,1003 +0411_00028 20,89,94,134,135,165,181,187,193,220,245,260,281,320,326,332,338,364,382,418,427,456,461,471,475,498,508,511,539,592,626,640,675,682,727,760,823,827,917,943,948,950,968,982,1014 +0411_00029 15,20,26,51,52,56,61,62,85,89,96,105,110,111,126,132,134,143,145,146,153,175,207,214,237,243,245,247,270,272,277,280,323,347,353,354,371,389,421,438,442,443,449,450,461,479,487,508,513,516,524,529,540,548,550,564,566,588,589,596,597,600,626,629,635,648,654,662,663,666,669,675,677,683,686,714,727,743,744,762,767,768,769,772,778,781,786,797,798,802,822,829,833,840,855,856,869,887,896,930,933,940,948,968,974,975,979,991,1010,1018,1023 +0411_00030 4,15,20,26,52,56,61,62,85,86,89,96,105,110,111,132,134,143,145,153,175,207,214,221,237,243,245,246,247,270,272,277,280,323,347,353,354,365,371,389,421,438,443,450,461,479,482,487,508,513,516,524,529,540,548,550,564,566,588,589,596,597,600,619,626,629,630,635,648,654,662,663,666,669,675,677,683,686,714,727,739,744,762,767,769,772,778,781,786,797,798,802,822,829,833,840,855,856,869,875,887,896,930,933,940,943,948,968,975,979,991,1010,1018,1023 +0411_00031 6,15,26,50,58,84,89,96,111,132,134,144,156,160,195,198,207,245,250,255,264,285,367,368,371,382,387,391,395,405,425,426,473,476,479,480,487,503,506,508,510,524,543,550,567,603,607,611,616,646,662,685,686,712,739,749,786,787,797,810,819,825,836,849,850,854,915,946,948,958,968,977,983,985,986,1007,1019 +0411_00032 15,49,89,96,131,132,134,140,145,153,177,207,226,245,252,260,264,332,344,348,378,379,381,382,421,476,481,487,491,508,511,513,519,524,540,550,554,571,582,585,625,643,648,662,677,685,686,702,713,749,764,802,816,825,829,836,850,855,898,921,934,947,948,968,977,988,999,1018 +0411_00033 15,20,21,28,40,52,82,94,134,140,153,162,220,223,236,243,245,280,321,328,330,347,378,419,437,461,480,494,508,530,538,549,563,569,626,640,656,670,683,727,744,746,752,757,762,774,778,845,850,857,884,895,906,912,924,948,1001,1012,1016,1022 +0411_00034 1,11,15,20,32,44,56,62,68,69,87,89,94,96,107,116,134,145,153,207,230,245,260,270,298,328,374,415,421,446,447,457,461,487,493,508,516,534,540,550,558,563,588,626,640,655,656,683,726,727,731,739,820,829,845,891,922,948,950,968,983,988,989,992,1000,1005,1009,1017 +0411_00035 2,15,20,26,30,49,75,89,134,146,153,158,167,207,212,220,221,243,283,317,329,347,348,371,393,396,406,413,418,420,461,476,492,499,508,511,526,544,556,557,563,566,569,612,626,636,640,662,719,727,748,762,767,794,795,802,819,825,834,851,860,871,880,883,885,886,936,948,953,959,968,974,982,989,1003 +0411_00036 10,20,39,42,62,70,76,94,107,120,134,141,145,148,153,180,184,192,206,207,225,231,262,277,282,290,297,347,362,390,400,410,434,436,445,467,478,480,481,483,490,493,495,497,508,511,517,529,552,579,583,586,596,626,640,644,667,724,727,773,775,778,779,802,826,832,833,876,878,948,963,994,1017 +0411_00037 1,11,15,17,38,59,61,89,132,134,170,179,182,217,231,237,245,260,285,289,301,302,309,325,353,368,383,444,446,452,461,498,508,515,529,534,566,626,634,640,656,661,676,683,723,772,818,827,861,880,890,909,927,936,947,948,968,987,1009,1017 +0411_00038 1,11,15,17,20,70,89,134,179,214,231,237,245,260,305,353,363,367,417,446,461,467,473,480,499,508,515,529,534,554,626,640,656,661,676,683,688,720,728,742,762,763,772,788,818,827,885,909,927,936,947,948,968,976,982,983,1022 +0411_00039 15,17,134,146,168,188,220,245,320,353,354,367,371,426,438,452,457,460,461,497,508,515,517,529,542,587,626,640,654,656,661,676,683,703,748,759,778,861,927,935,947,948,968,994 +0411_00040 10,13,20,39,42,62,70,94,98,107,120,134,141,145,148,153,180,192,206,207,225,231,262,277,282,285,297,347,362,387,390,399,400,410,436,445,467,469,478,480,481,483,490,497,508,511,517,529,552,556,579,583,586,626,640,644,701,715,724,727,773,778,779,802,826,832,833,844,876,878,935,948,963,994,1017 +0411_00041 1,11,15,17,38,59,61,89,132,134,170,179,182,217,231,237,245,260,285,289,301,302,309,325,353,368,383,444,446,452,461,498,508,515,529,534,566,626,634,640,656,661,676,683,723,772,818,827,861,880,890,909,927,936,947,948,968,987,1009,1017 +0411_00042 1,15,17,20,25,38,89,99,103,134,170,185,214,237,245,260,305,309,353,393,394,446,461,467,480,499,508,515,529,534,626,630,640,656,661,668,676,679,683,698,728,762,772,788,827,861,880,890,947,948,968,982,983,1016,1022 +0411_00043 1,15,17,38,89,99,103,132,134,170,182,217,237,245,260,289,301,302,309,325,353,368,393,394,446,452,461,508,515,529,534,566,626,630,634,640,656,661,668,676,679,683,723,762,772,861,876,880,890,927,947,948,968,985,987,1009,1017,1022,1024 +0411_00044 10,13,20,39,62,70,76,94,107,129,134,141,145,148,153,180,183,184,192,206,207,225,231,262,277,282,290,297,347,362,390,399,410,434,436,445,467,478,480,481,483,490,493,495,497,508,511,517,529,552,556,577,579,586,596,625,626,640,644,724,727,766,773,775,778,779,802,826,832,833,948,963,994,1015,1017 +0411_00045 20,26,32,61,72,78,89,134,156,163,171,188,205,220,245,260,262,275,304,321,332,342,347,364,389,407,430,461,488,499,502,508,513,514,549,551,568,626,647,653,726,733,738,746,748,761,762,772,777,778,784,798,806,811,819,829,839,850,855,924,936,948,968,980,984,988,992,1008,1024 +0411_00046 15,20,26,63,88,89,106,125,134,137,153,164,174,175,204,237,245,260,267,287,330,335,347,356,371,374,376,389,409,410,419,420,421,438,461,481,489,497,499,505,508,512,515,524,531,543,545,549,550,568,578,584,588,594,626,632,638,645,651,654,663,677,713,715,762,772,778,786,804,810,812,813,819,823,824,843,844,846,850,855,884,896,907,929,936,943,948,968,1006 +0411_00047 4,15,42,60,64,74,75,89,93,95,119,134,193,226,234,238,245,261,263,283,302,309,318,347,353,389,408,425,435,441,443,461,471,485,487,508,515,516,534,549,550,552,597,626,640,683,700,704,705,747,748,778,781,786,799,813,827,877,914,918,941,948,968,999,1001,1005,1011 +0411_00048 14,15,26,35,40,42,54,62,64,67,71,89,127,128,134,153,214,222,226,241,245,260,273,280,290,297,353,395,461,466,471,480,490,499,508,515,530,535,540,552,563,565,582,594,626,640,654,656,662,668,749,754,756,769,772,783,786,791,796,836,871,873,920,936,948,953,963,968,973,992,1014,1018 +0411_00049 2,15,20,26,84,89,94,97,125,138,153,161,177,206,212,218,219,222,227,254,261,273,309,310,347,352,414,461,467,469,499,508,514,518,545,549,551,554,558,566,626,643,655,663,668,684,695,698,727,732,737,738,757,762,764,768,772,796,829,850,860,880,911,913,941,948,953,969,971,980,992,1018 +0411_00050 8,15,26,39,62,89,96,114,119,129,131,134,137,144,162,173,222,245,249,266,272,282,291,305,373,380,404,420,423,426,437,442,454,461,463,481,483,487,499,503,506,508,513,534,540,542,549,550,559,609,618,626,653,654,662,671,673,680,696,714,728,740,741,772,781,786,797,801,805,835,855,859,887,900,916,948,963,968,974,977,991,1019,1023 diff --git a/processed_data/0411/0411_fingerprints_maccs_canonical_success.tsv b/processed_data/0411/0411_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..f1de73573 --- /dev/null +++ b/processed_data/0411/0411_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0411_00001 26,50,57,76,83,89,90,96,98,99,105,109,120,123,127,137,139,140,143,146,152,153,154,157,159,163,164,165 +0411_00002 57,72,82,89,98,109,113,127,131,132,137,139,140,143,144,146,150,152,153,154,155,157,159,162,163,164,165 +0411_00003 16,19,22,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,109,112,116,120,127,128,131,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00004 16,19,22,50,54,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,116,120,127,128,131,132,137,138,139,140,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0411_00005 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00006 16,19,22,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,109,112,115,116,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00007 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,105,109,112,116,120,123,126,127,128,131,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00008 19,34,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,127,129,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00009 16,19,22,50,57,66,72,76,89,91,96,98,99,104,105,109,112,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00010 16,19,22,50,57,66,72,76,89,90,91,96,98,99,104,105,109,112,115,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00011 50,65,75,76,83,85,86,90,91,93,96,98,99,100,105,111,115,116,120,121,122,129,137,142,145,148,149,151,153,156,158,160,161,162,163,165 +0411_00012 14,26,36,47,50,67,75,76,79,81,82,83,85,88,89,91,92,93,95,96,97,98,99,105,108,109,110,111,112,116,117,120,121,122,124,127,131,136,137,139,140,142,143,145,146,148,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0411_00013 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,105,108,109,112,115,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00014 57,66,72,83,89,93,96,98,99,101,105,112,113,120,123,125,126,127,132,136,137,139,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0411_00015 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00016 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00017 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00018 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00019 13,24,25,34,38,45,65,66,71,72,74,75,76,77,79,80,83,85,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,126,127,131,135,136,137,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0411_00020 26,50,57,66,72,76,83,86,89,93,96,98,99,105,108,109,112,115,116,120,123,126,127,128,129,132,136,137,140,141,143,144,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0411_00021 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00022 16,19,22,50,54,57,66,72,74,76,82,89,90,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00023 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0411_00024 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00025 23,53,57,65,72,74,75,79,80,83,85,86,89,90,91,92,93,95,96,97,98,100,105,106,108,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00026 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00027 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00028 26,50,53,57,76,89,98,99,105,123,127,131,136,137,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0411_00029 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00030 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00031 34,38,45,53,65,66,74,76,77,79,80,83,85,90,91,92,95,96,97,98,99,101,105,110,111,112,116,117,120,121,122,127,131,135,136,137,142,143,144,145,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0411_00032 45,74,75,76,79,82,85,92,93,95,99,100,104,108,110,111,115,116,117,120,121,122,127,131,132,136,137,140,141,142,143,146,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0411_00033 50,57,76,83,89,90,91,93,96,99,104,105,108,109,113,115,116,123,126,127,128,129,131,132,136,137,139,140,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0411_00034 53,54,57,89,90,91,92,95,97,98,104,105,110,111,113,115,117,123,125,127,131,132,136,137,139,140,143,144,145,146,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00035 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00036 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00037 53,57,89,90,91,99,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00038 53,57,89,90,91,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00039 53,57,89,98,105,113,123,125,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0411_00040 54,72,84,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00041 53,57,89,90,91,99,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00042 53,57,89,91,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00043 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00044 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00045 50,54,57,66,72,76,83,89,93,96,98,99,112,113,120,123,126,127,131,137,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0411_00046 50,54,57,65,66,72,74,76,79,83,85,89,91,92,93,95,96,97,98,99,100,101,102,105,110,111,112,113,115,117,118,120,121,122,124,126,127,131,132,136,137,139,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00047 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0411_00048 57,66,74,82,83,89,90,91,92,96,97,100,104,105,108,110,112,113,115,116,117,118,120,121,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00049 16,22,50,57,62,66,72,74,76,89,93,99,105,108,109,112,116,120,123,126,127,129,132,136,137,139,140,141,143,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00050 26,50,57,65,66,72,74,76,83,89,90,91,96,98,99,101,104,105,108,112,115,116,118,120,121,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,154,156,157,159,160,161,162,163,164,165 diff --git a/processed_data/0411/0411_fingerprints_maccs_isomeric_success.tsv b/processed_data/0411/0411_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..f1de73573 --- /dev/null +++ b/processed_data/0411/0411_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0411_00001 26,50,57,76,83,89,90,96,98,99,105,109,120,123,127,137,139,140,143,146,152,153,154,157,159,163,164,165 +0411_00002 57,72,82,89,98,109,113,127,131,132,137,139,140,143,144,146,150,152,153,154,155,157,159,162,163,164,165 +0411_00003 16,19,22,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,109,112,116,120,127,128,131,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00004 16,19,22,50,54,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,116,120,127,128,131,132,137,138,139,140,143,145,146,149,150,152,153,155,157,159,160,163,164,165 +0411_00005 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00006 16,19,22,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,109,112,115,116,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00007 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,105,109,112,116,120,123,126,127,128,131,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00008 19,34,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,127,129,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00009 16,19,22,50,57,66,72,76,89,91,96,98,99,104,105,109,112,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00010 16,19,22,50,57,66,72,76,89,90,91,96,98,99,104,105,109,112,115,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00011 50,65,75,76,83,85,86,90,91,93,96,98,99,100,105,111,115,116,120,121,122,129,137,142,145,148,149,151,153,156,158,160,161,162,163,165 +0411_00012 14,26,36,47,50,67,75,76,79,81,82,83,85,88,89,91,92,93,95,96,97,98,99,105,108,109,110,111,112,116,117,120,121,122,124,127,131,136,137,139,140,142,143,145,146,148,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0411_00013 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,105,108,109,112,115,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00014 57,66,72,83,89,93,96,98,99,101,105,112,113,120,123,125,126,127,132,136,137,139,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0411_00015 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00016 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00017 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0411_00018 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00019 13,24,25,34,38,45,65,66,71,72,74,75,76,77,79,80,83,85,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,126,127,131,135,136,137,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0411_00020 26,50,57,66,72,76,83,86,89,93,96,98,99,105,108,109,112,115,116,120,123,126,127,128,129,132,136,137,140,141,143,144,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0411_00021 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00022 16,19,22,50,54,57,66,72,74,76,82,89,90,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00023 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0411_00024 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00025 23,53,57,65,72,74,75,79,80,83,85,86,89,90,91,92,93,95,96,97,98,100,105,106,108,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00026 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00027 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00028 26,50,53,57,76,89,98,99,105,123,127,131,136,137,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0411_00029 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00030 23,26,50,53,57,65,72,74,75,76,79,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,106,110,111,112,115,116,117,118,120,121,122,123,125,127,128,129,131,133,136,137,138,139,140,141,142,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00031 34,38,45,53,65,66,74,76,77,79,80,83,85,90,91,92,95,96,97,98,99,101,105,110,111,112,116,117,120,121,122,127,131,135,136,137,142,143,144,145,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0411_00032 45,74,75,76,79,82,85,92,93,95,99,100,104,108,110,111,115,116,117,120,121,122,127,131,132,136,137,140,141,142,143,146,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0411_00033 50,57,76,83,89,90,91,93,96,99,104,105,108,109,113,115,116,123,126,127,128,129,131,132,136,137,139,140,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0411_00034 53,54,57,89,90,91,92,95,97,98,104,105,110,111,113,115,117,123,125,127,131,132,136,137,139,140,143,144,145,146,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0411_00035 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00036 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00037 53,57,89,90,91,99,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00038 53,57,89,90,91,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00039 53,57,89,98,105,113,123,125,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0411_00040 54,72,84,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00041 53,57,89,90,91,99,104,105,108,113,115,116,118,123,127,128,129,131,132,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00042 53,57,89,91,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00043 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0411_00044 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0411_00045 50,54,57,66,72,76,83,89,93,96,98,99,112,113,120,123,126,127,131,137,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0411_00046 50,54,57,65,66,72,74,76,79,83,85,89,91,92,93,95,96,97,98,99,100,101,102,105,110,111,112,113,115,117,118,120,121,122,124,126,127,131,132,136,137,139,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00047 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0411_00048 57,66,74,82,83,89,90,91,92,96,97,100,104,105,108,110,112,113,115,116,117,118,120,121,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0411_00049 16,22,50,57,62,66,72,74,76,89,93,99,105,108,109,112,116,120,123,126,127,129,132,136,137,139,140,141,143,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0411_00050 26,50,57,65,66,72,74,76,83,89,90,91,96,98,99,101,104,105,108,112,115,116,118,120,121,127,128,129,131,132,137,139,140,141,143,144,145,146,147,149,150,151,152,154,156,157,159,160,161,162,163,164,165 diff --git a/processed_data/0411/0411_fingerprints_pubchem_canonical_success.tsv b/processed_data/0411/0411_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..e5193febe --- /dev/null +++ b/processed_data/0411/0411_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0411_00001 10,11,19,20,21,144,150,179,185,284,285,287,309,333,334,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,554,557,564,565,572,574,595,600,615,618,620,640,642,661,662,665,667,668,672,679 +0411_00002 10,11,19,20,21,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,691,693,702 +0411_00003 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00004 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,431,435,442,447,491,525,557,568,572,574,583,595,600,615,618,620,638,640,641,661,663,664,667,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00005 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00006 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,189,193,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00007 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00008 10,11,12,19,20,21,144,145,179,182,183,186,284,285,287,309,333,334,335,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,841,867 +0411_00009 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,557,568,572,574,583,595,600,615,618,620,638,640,641,661,663,664,667,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00010 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00011 10,11,12,13,15,16,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,300,333,334,336,339,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,777,780,798,801,819,822 +0411_00012 10,11,12,15,16,19,20,21,34,35,144,146,147,179,181,182,183,186,188,189,193,284,285,286,287,294,309,333,334,339,340,341,342,345,346,347,352,353,354,366,367,375,391,392,407,417,421,431,435,440,442,444,447,452,465,491,517,525,536,537,541,557,565,567,570,572,574,580,582,583,593,600,603,612,614,618,620,638,639,641,642,643,646,647,657,660,661,665,668,679,680,681,684,685,689,690,692,693,696,703,704,705,708 +0411_00013 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00014 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,309,333,334,338,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00015 10,11,12,13,19,20,21,144,147,150,151,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00016 10,11,12,13,19,20,21,144,150,151,157,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00017 10,11,12,13,19,20,21,144,147,148,150,151,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00018 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00019 10,11,12,13,15,16,17,19,20,21,144,146,147,149,150,151,153,154,158,179,180,184,185,186,256,257,258,284,285,286,287,300,302,309,333,334,335,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,396,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,463,465,471,473,483,485,486,488,489,491,492,496,499,500,503,505,507,515,517,520,521,522,524,525,528,529,537,538,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,637,641,644,646,648,655,657,658,660,661,665,666,669,672,673,675,678,679,680,684,689,697,698,709,710,711,712,713,759,822 +0411_00020 10,11,12,13,19,20,21,22,144,145,147,151,179,183,185,186,190,193,256,257,284,285,287,333,334,335,336,340,342,345,347,353,356,357,367,371,375,381,382,385,406,410,417,421,431,433,437,441,442,444,447,449,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,606,607,609,615,620,621,624,626,627,633,635,638,640,641,642,643,652,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,712,713,861 +0411_00021 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00022 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00023 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00024 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00025 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,186,187,188,189,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,696,697,698,703,705,708,709,710,711,713,738,756,759,777,780,798,801,819,822 +0411_00026 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00027 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00028 10,11,12,19,20,21,179,183,185,186,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,477,491,499,525,536,554,557,565,574,580,582,583,589,618,620,638,641,642,643,661,665,668,672,673,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711 +0411_00029 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,187,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,697,698,703,705,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00030 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,187,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,697,698,703,705,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00031 10,11,12,13,15,16,17,19,20,144,146,147,149,150,151,153,154,158,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,335,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,570,571,573,579,580,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,637,641,644,646,647,648,655,657,658,661,665,666,669,672,673,675,678,679,680,684,685,689,693,696,697,698,705,709,710,711,712,713,759,822 +0411_00032 10,11,12,13,15,16,17,19,20,21,179,180,256,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,503,517,521,525,529,536,537,541,553,554,557,565,570,571,579,580,583,585,593,596,600,603,604,609,612,614,619,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,709,710,711 +0411_00033 10,11,12,13,19,20,21,144,150,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0411_00034 10,11,12,13,15,19,20,21,179,180,185,186,187,193,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,591,593,595,596,598,600,603,604,605,607,608,609,614,615,618,619,620,624,626,629,634,635,638,639,640,641,642,643,644,646,647,652,656,657,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,700,701,702,703,705,706,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0411_00035 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00036 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0411_00037 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00038 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00039 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00040 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,644,663,680,681,682,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0411_00041 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00042 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00043 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00044 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0411_00045 10,11,12,13,19,20,21,144,147,179,182,256,257,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,669,672,673,678,679,680,681,685,690,693,694,695,706,707,709,710,711 +0411_00046 10,11,12,13,15,16,19,20,21,144,146,147,151,153,154,179,180,181,182,184,185,186,193,228,233,234,256,257,258,284,285,286,287,309,310,333,334,338,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,463,465,471,473,477,483,491,496,499,503,507,517,521,522,524,525,531,536,537,538,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,570,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,612,614,618,619,620,627,629,634,635,638,639,641,642,643,646,647,652,653,656,657,658,660,661,664,665,666,667,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,715,743,759,778,806,822 +0411_00047 10,11,12,13,19,20,21,144,150,151,157,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00048 10,11,12,13,15,19,20,21,144,149,150,151,157,179,180,186,187,193,194,256,284,285,286,287,300,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,521,525,529,536,541,542,543,549,550,553,554,557,565,566,571,572,574,575,576,579,580,583,585,590,591,593,595,596,598,604,605,607,608,609,614,615,618,619,620,621,624,627,629,633,634,635,638,639,640,641,642,646,647,652,654,656,657,661,665,667,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,697,698,699,700,701,702,703,705,709,710,711,712,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0411_00049 10,11,12,13,19,20,21,116,119,123,126,179,180,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,568,574,583,595,600,615,620,638,640,641,642,661,663,665,667,668,672,673,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,778,783,799,804,819,820,825 +0411_00050 10,11,12,13,15,19,20,21,144,146,147,148,151,179,180,185,186,187,193,194,200,256,257,258,284,285,286,287,300,309,333,334,335,336,338,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,433,435,438,442,443,444,447,450,454,463,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,538,539,540,546,547,550,553,554,556,557,565,568,571,574,577,578,579,580,582,583,585,586,593,595,596,600,601,604,606,608,609,614,615,618,619,620,629,634,635,638,640,641,642,643,644,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,683,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,759,777,778,798,799,804,819,820,822,840,843,861,864 diff --git a/processed_data/0411/0411_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0411/0411_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..e5193febe --- /dev/null +++ b/processed_data/0411/0411_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,51 @@ +id bits.on +0411_00001 10,11,19,20,21,144,150,179,185,284,285,287,309,333,334,342,345,347,348,353,367,368,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,554,557,564,565,572,574,595,600,615,618,620,640,642,661,662,665,667,668,672,679 +0411_00002 10,11,19,20,21,179,182,256,257,284,285,287,309,333,342,345,347,353,356,367,371,372,382,383,385,406,407,410,417,421,433,435,437,442,444,447,449,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,690,691,693,702 +0411_00003 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00004 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,431,435,442,447,491,525,557,568,572,574,583,595,600,615,618,620,638,640,641,661,663,664,667,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00005 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00006 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,189,193,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00007 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00008 10,11,12,19,20,21,144,145,179,182,183,186,284,285,287,309,333,334,335,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,841,867 +0411_00009 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,557,568,572,574,583,595,600,615,618,620,638,640,641,661,663,664,667,668,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00010 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00011 10,11,12,13,15,16,144,146,147,179,180,183,184,185,186,193,256,257,258,284,285,286,300,333,334,336,339,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,738,756,759,777,780,798,801,819,822 +0411_00012 10,11,12,15,16,19,20,21,34,35,144,146,147,179,181,182,183,186,188,189,193,284,285,286,287,294,309,333,334,339,340,341,342,345,346,347,352,353,354,366,367,375,391,392,407,417,421,431,435,440,442,444,447,452,465,491,517,525,536,537,541,557,565,567,570,572,574,580,582,583,593,600,603,612,614,618,620,638,639,641,642,643,646,647,657,660,661,665,668,679,680,681,684,685,689,690,692,693,696,703,704,705,708 +0411_00013 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0411_00014 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,309,333,334,338,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00015 10,11,12,13,19,20,21,144,147,150,151,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00016 10,11,12,13,19,20,21,144,150,151,157,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00017 10,11,12,13,19,20,21,144,147,148,150,151,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00018 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00019 10,11,12,13,15,16,17,19,20,21,144,146,147,149,150,151,153,154,158,179,180,184,185,186,256,257,258,284,285,286,287,300,302,309,333,334,335,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,396,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,463,465,471,473,483,485,486,488,489,491,492,496,499,500,503,505,507,515,517,520,521,522,524,525,528,529,537,538,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,637,641,644,646,648,655,657,658,660,661,665,666,669,672,673,675,678,679,680,684,689,697,698,709,710,711,712,713,759,822 +0411_00020 10,11,12,13,19,20,21,22,144,145,147,151,179,183,185,186,190,193,256,257,284,285,287,333,334,335,336,340,342,345,347,353,356,357,367,371,375,381,382,385,406,410,417,421,431,433,437,441,442,444,447,449,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,606,607,609,615,620,621,624,626,627,633,635,638,640,641,642,643,652,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,712,713,861 +0411_00021 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00022 10,11,12,13,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00023 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0411_00024 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00025 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,186,187,188,189,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,696,697,698,703,705,708,709,710,711,713,738,756,759,777,780,798,801,819,822 +0411_00026 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,697,698,703,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00027 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00028 10,11,12,19,20,21,179,183,185,186,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,477,491,499,525,536,554,557,565,574,580,582,583,589,618,620,638,641,642,643,661,665,668,672,673,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711 +0411_00029 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,187,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,697,698,703,705,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00030 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,158,160,161,179,180,181,182,183,184,185,186,187,193,200,207,256,257,258,260,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,538,539,540,541,546,547,550,553,556,557,560,564,565,567,570,571,577,578,579,580,581,583,585,586,593,594,596,600,601,603,604,606,608,609,612,613,614,615,616,618,619,629,634,635,638,641,644,646,647,657,658,660,661,662,665,666,669,678,679,680,681,684,685,689,692,693,697,698,703,705,709,710,711,713,738,756,759,780,798,801,819,822 +0411_00031 10,11,12,13,15,16,17,19,20,144,146,147,149,150,151,153,154,158,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,335,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,397,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,570,571,573,579,580,583,585,586,593,596,597,600,601,603,604,608,609,612,614,619,629,634,635,637,641,644,646,647,648,655,657,658,661,665,666,669,672,673,675,678,679,680,684,685,689,693,696,697,698,705,709,710,711,712,713,759,822 +0411_00032 10,11,12,13,15,16,17,19,20,21,179,180,256,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,503,517,521,525,529,536,537,541,553,554,557,565,570,571,579,580,583,585,593,596,600,603,604,609,612,614,619,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,709,710,711 +0411_00033 10,11,12,13,19,20,21,144,150,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0411_00034 10,11,12,13,15,19,20,21,179,180,185,186,187,193,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,499,517,521,525,529,536,537,541,542,549,550,553,554,557,565,567,571,574,575,576,579,580,582,583,585,591,593,595,596,598,600,603,604,605,607,608,609,614,615,618,619,620,624,626,629,634,635,638,639,640,641,642,643,644,646,647,652,656,657,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,700,701,702,703,705,706,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0411_00035 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0411_00036 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0411_00037 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00038 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00039 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00040 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,644,663,680,681,682,684,685,687,688,689,690,691,694,695,697,698,699,701,702,709,710,711 +0411_00041 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00042 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00043 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0411_00044 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0411_00045 10,11,12,13,19,20,21,144,147,179,182,256,257,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,669,672,673,678,679,680,681,685,690,693,694,695,706,707,709,710,711 +0411_00046 10,11,12,13,15,16,19,20,21,144,146,147,151,153,154,179,180,181,182,184,185,186,193,228,233,234,256,257,258,284,285,286,287,309,310,333,334,338,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,463,465,471,473,477,483,491,496,499,503,507,517,521,522,524,525,531,536,537,538,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,570,571,572,574,575,577,578,579,580,582,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,612,614,618,619,620,627,629,634,635,638,639,641,642,643,646,647,652,653,656,657,658,660,661,664,665,666,667,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,715,743,759,778,806,822 +0411_00047 10,11,12,13,19,20,21,144,150,151,157,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0411_00048 10,11,12,13,15,19,20,21,144,149,150,151,157,179,180,186,187,193,194,256,284,285,286,287,300,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,521,525,529,536,541,542,543,549,550,553,554,557,565,566,571,572,574,575,576,579,580,583,585,590,591,593,595,596,598,604,605,607,608,609,614,615,618,619,620,621,624,627,629,633,634,635,638,639,640,641,642,646,647,652,654,656,657,661,665,667,668,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,697,698,699,700,701,702,703,705,709,710,711,712,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0411_00049 10,11,12,13,19,20,21,116,119,123,126,179,180,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,568,574,583,595,600,615,620,638,640,641,642,661,663,665,667,668,672,673,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,778,783,799,804,819,820,825 +0411_00050 10,11,12,13,15,19,20,21,144,146,147,148,151,179,180,185,186,187,193,194,200,256,257,258,284,285,286,287,300,309,333,334,335,336,338,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,433,435,438,442,443,444,447,450,454,463,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,538,539,540,546,547,550,553,554,556,557,565,568,571,574,577,578,579,580,582,583,585,586,593,595,596,600,601,604,606,608,609,614,615,618,619,620,629,634,635,638,640,641,642,643,644,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,683,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,759,777,778,798,799,804,819,820,822,840,843,861,864 diff --git a/processed_data/0411/0411_gradient.tsv b/processed_data/0411/0411_gradient.tsv new file mode 100644 index 000000000..bb047d991 --- /dev/null +++ b/processed_data/0411/0411_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 100 0 +1 0.3 100 0 +8 0.3 0 100 +10 0.3 0 100 diff --git a/processed_data/0411/0411_info.tsv b/processed_data/0411/0411_info.tsv new file mode 100644 index 000000000..5bdd0711a --- /dev/null +++ b/processed_data/0411/0411_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0411 10.1016/j.foodchem.2018.11.056 Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu ROASMI_18 diff --git a/processed_data/0411/0411_metadata.tsv b/processed_data/0411/0411_metadata.tsv new file mode 100644 index 000000000..c3fcdea69 --- /dev/null +++ b/processed_data/0411/0411_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0411 Thermo Scientific Hypersil GOLD aQ L1 100 2.1 1.9 30 0.3 0.735 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 100 0 0 diff --git a/processed_data/0411/0411_report_canonical.pdf b/processed_data/0411/0411_report_canonical.pdf new file mode 100644 index 000000000..9160d211d Binary files /dev/null and b/processed_data/0411/0411_report_canonical.pdf differ diff --git a/processed_data/0411/0411_report_isomeric.pdf b/processed_data/0411/0411_report_isomeric.pdf new file mode 100644 index 000000000..94eb4f467 Binary files /dev/null and b/processed_data/0411/0411_report_isomeric.pdf differ diff --git a/processed_data/0411/0411_rtdata_canonical_success.tsv b/processed_data/0411/0411_rtdata_canonical_success.tsv new file mode 100644 index 000000000..cda63e722 --- /dev/null +++ b/processed_data/0411/0411_rtdata_canonical_success.tsv @@ -0,0 +1,51 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0411_00001 C7H6O4 2.12 C1C=C2C(=CC(=O)O2)C(O1)O InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 ZRWPUFFVAOMMNM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) NA (NA) NA (NA) NA (NA) +0411_00002 C6H6O4 2.6 C1=C(OC=C(C1=O)O)CO InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 BEJNERDRQOWKJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0411_00003 C15H20O7 3.7 CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3 UKOTXHQERFPCBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00004 C15H22O6 3.76 CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)O)C)CO InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3 ZAXZBJSXSOISTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00005 C15H20O6 4.26 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3 LINOMUASTDIRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00006 C21H30O11 4.29 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC5C(C(C(C(O5)CO)O)O)O)C)CO InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3 PUMXWMGECQIOGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00007 C17H22O8 4.69 CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3 XGCUCFKWVIWWNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00008 C15H20O5 4.77 CC1=CC2C(C(C1=O)O)(C3(CC(C(C3=C)O2)O)C)CO InChI=1S/C15H20O5/c1-7-4-10-15(6-16,13(19)11(7)18)14(3)5-9(17)12(20-10)8(14)2/h4,9-10,12-13,16-17,19H,2,5-6H2,1,3H3 ZACLXWTWERGCLX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0411_00009 C19H26O8 4.9 CC1=CC2C(CC1O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3 TVZHDVCTOCZDNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00010 C17H22O7 5.25 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3 IDGRYIRJIFKTAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00011 C16H18N2 5.35 CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3 XJOOMMHNYOJWCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Clavines and derivatives (CHEMONTID:0002747) NA (NA) NA (NA) +0411_00012 C13H14N2O4S2 5.48 CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3 FIVPIPIDMRVLAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) Dioxopiperazines (CHEMONTID:0001731) 2,5-dioxopiperazines (CHEMONTID:0003684) +0411_00013 C17H22O7 5.49 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3 ADFIQZBYNGPCGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00014 C17H12O7 5.77 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3 MJBWDEQAUQTVKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00015 C17H14O7 5.8 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3 WPCVRWVBBXIRMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00016 C17H12O7 5.89 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00017 C17H14O6 6.11 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3 WWSYXEZEXMQWHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00018 C30H37N5O5 6.11 CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36) NESVMZOPWPCFAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00019 C23H23N5O4 6.11 CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30) JTJJJLSLKZFEPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Pyridoindolones (CHEMONTID:0001374) NA (NA) +0411_00020 C23H24O8 6.14 CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3 QDLHCMPXEPAAMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxasteroids and derivatives (CHEMONTID:0002382) NA (NA) NA (NA) +0411_00021 C31H39N5O5 6.15 CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37) UJYGDMFEEDNVBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00022 C20H30O7 6.17 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3 DDAUKBBLCGQHIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00023 C17H12O6 6.26 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3 OQIQSTLJSLGHID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00024 C31H39N5O5 6.37 CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37) UJYGDMFEEDNVBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00025 C35H41N5O5 6.46 CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41) DEQITUUQPICUMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) Ergotamines, dihydroergotamines, and derivatives (CHEMONTID:0000371) +0411_00026 C32H41N5O5 6.5 CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38) YDOTUXAWKBPQJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00027 C22H32O8 6.52 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3 PNKLMTPXERFKEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00028 C13H14O5 6.53 CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17) CBGDIJWINPWWJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) NA (NA) NA (NA) NA (NA) +0411_00029 C35H39N5O5 6.55 CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41) HEFIYUQVAZFDEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) Ergotamines, dihydroergotamines, and derivatives (CHEMONTID:0000371) +0411_00030 C35H39N5O5 6.55 CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41) HEFIYUQVAZFDEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) Ergotamines, dihydroergotamines, and derivatives (CHEMONTID:0000371) +0411_00031 C22H23N5O2 6.61 CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25 InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28) SPWSUFUPTSJWNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyrroloindoles (CHEMONTID:0001733) NA (NA) NA (NA) +0411_00032 C22H30N4O4 6.66 CC1C(=O)NC(C(=O)N(C(=CC2=CC=CC=C2)C(=O)NCC(=O)N1C)C)CC(C)C InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28) SIIRBDOFKDACOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0411_00033 C17H20O6 6.77 CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19) HPNSFSBZBAHARI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isocoumarans (CHEMONTID:0004191) Isobenzofuranones (CHEMONTID:0003409) Phthalides (CHEMONTID:0001873) NA (NA) +0411_00034 C20H19NO6 6.78 CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25) DAEYIVCTQUFNTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Ochratoxins and related substances (CHEMONTID:0001787) NA (NA) NA (NA) NA (NA) +0411_00035 C24H34O9 6.78 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3 BXFOFFBJRFZBQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00036 C34H59NO15 6.81 CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48) UVBUBMSSQKOIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00037 C18H24O5 6.86 CC1CCCC(CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3 FPQFYIAXQDXNOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00038 C18H26O5 6.875 CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3 DWTTZBARDOXEAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00039 C14H10O5 6.89 CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3 CEBXXEKPIIDJHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0411_00040 C34H59NO14 6.99 CCCCC(C)C(C(CC(C)CC(CCCCCCC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47) CPCRJSQNWHCGOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00041 C18H24O5 7.09 CC1CCCC(CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3 FPQFYIAXQDXNOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00042 C18H24O5 7.1 CC1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3 APJDQUGPCJRQRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0411_00043 C18H22O5 7.16 CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3 MBMQEIFVQACCCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0411_00044 C34H59NO14 7.19 CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47) UXDPXZQHTDAXOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00045 C23H30O6 7.23 CC1C(C(C(O1)(C)C=C(C)C=CC=CC=CC2=C(C(=CC(=O)O2)OC)C)O)(C)O InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3 JLSVDPQAIKFBTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0411_00046 C27H33N3O7 7.33 CC(=CC1N2C3=C(C=CC(=C3)OC)C4=C2C(CC(OO1)(C)C)N5C(=O)C6CCCN6C(=O)C5(C4O)O)C InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3 LRXYHMMJJCTUMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0411_00047 C18H12O6 7.49 COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3 UTSVPXMQSFGQTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Sterigmatocystins (CHEMONTID:0001817) NA (NA) NA (NA) NA (NA) +0411_00048 C23H31NO4 7.51 CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C InChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(26)7-8-22(17,4)23(12)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27) ZSVLMDBFFSSVAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0411_00049 C26H34O7 7.52 CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28) NGGMYCMLYOUNGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0411_00050 C27H33NO4 7.81 CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3 ACNHBCIZLNNLRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) NA (NA) NA (NA) NA (NA) diff --git a/processed_data/0411/0411_rtdata_isomeric_success.tsv b/processed_data/0411/0411_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..e7e98757f --- /dev/null +++ b/processed_data/0411/0411_rtdata_isomeric_success.tsv @@ -0,0 +1,51 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0411_00001 C7H6O4 2.12 C1C=C2C(=CC(=O)O2)C(O1)O InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2 ZRWPUFFVAOMMNM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) NA (NA) NA (NA) NA (NA) +0411_00002 C6H6O4 2.6 C1=C(OC=C(C1=O)O)CO InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 BEJNERDRQOWKJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0411_00003 C15H20O7 3.7 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1 UKOTXHQERFPCBU-XBXCNEFVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00004 C15H22O6 3.76 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1 ZAXZBJSXSOISTF-ZSTBYQRGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00005 C15H20O6 4.26 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 LINOMUASTDIRTM-QGRHZQQGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00006 C21H30O11 4.29 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 PUMXWMGECQIOGB-SMSDQXDJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00007 C17H22O8 4.69 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1 XGCUCFKWVIWWNW-CAYGJDLQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00008 C15H20O5 4.77 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C3=C)O2)O)C)CO InChI=1S/C15H20O5/c1-7-4-10-15(6-16,13(19)11(7)18)14(3)5-9(17)12(20-10)8(14)2/h4,9-10,12-13,16-17,19H,2,5-6H2,1,3H3/t9-,10-,12+,13-,14+,15-/m1/s1 ZACLXWTWERGCLX-MDUHGFIHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxepanes (CHEMONTID:0001729) NA (NA) NA (NA) NA (NA) +0411_00009 C19H26O8 4.9 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1 TVZHDVCTOCZDNE-WVJYZQHISA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00010 C17H22O7 5.25 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 IDGRYIRJIFKTAN-HTJQZXIKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00011 C16H18N2 5.35 CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1 XJOOMMHNYOJWCZ-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Clavines and derivatives (CHEMONTID:0002747) NA (NA) NA (NA) +0411_00012 C13H14N2O4S2 5.48 CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1 FIVPIPIDMRVLAY-RBJBARPLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) Dioxopiperazines (CHEMONTID:0001731) 2,5-dioxopiperazines (CHEMONTID:0003684) +0411_00013 C17H22O7 5.49 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 ADFIQZBYNGPCGY-HTJQZXIKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00014 C17H12O7 5.77 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1 MJBWDEQAUQTVKK-IAGOWNOFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00015 C17H14O7 5.8 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WPCVRWVBBXIRMA-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00016 C17H12O7 5.89 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00017 C17H14O6 6.11 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WWSYXEZEXMQWHT-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00018 C30H37N5O5 6.11 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1 NESVMZOPWPCFAU-ZPRCMDFASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Lysergamides (CHEMONTID:0002746) NA (NA) +0411_00019 C23H23N5O4 6.11 CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/t22-,23-/m0/s1 JTJJJLSLKZFEPJ-GOTSBHOMSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Pyridoindolones (CHEMONTID:0001374) NA (NA) +0411_00020 C23H24O8 6.14 CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 QDLHCMPXEPAAMD-QAIWCSMKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxasteroids and derivatives (CHEMONTID:0002382) NA (NA) NA (NA) +0411_00021 C31H39N5O5 6.15 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23+,24-,26-,30+,31-/m0/s1 UJYGDMFEEDNVBF-KMKPOGODSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00022 C20H30O7 6.17 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1 DDAUKBBLCGQHIP-CAVDVMKYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00023 C17H12O6 6.26 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 OQIQSTLJSLGHID-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0411_00024 C31H39N5O5 6.37 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 UJYGDMFEEDNVBF-OGGGUQDZSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Lysergamides (CHEMONTID:0002746) NA (NA) +0411_00025 C35H41N5O5 6.46 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1 DEQITUUQPICUMR-HJPBWRTMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Lysergamides (CHEMONTID:0002746) NA (NA) +0411_00026 C32H41N5O5 6.5 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26-,31+,32-/m0/s1 YDOTUXAWKBPQJW-JJANYQHSSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) NA (NA) +0411_00027 C22H32O8 6.52 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1 PNKLMTPXERFKEN-MLXHEQMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00028 C13H14O5 6.53 C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1 CBGDIJWINPWWJW-IYSWYEEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) NA (NA) NA (NA) NA (NA) +0411_00029 C35H39N5O5 6.55 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1 HEFIYUQVAZFDEE-MKTPKCENSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) Ergotamines, dihydroergotamines, and derivatives (CHEMONTID:0000371) +0411_00030 C35H39N5O5 6.55 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1 HEFIYUQVAZFDEE-NASJTFDLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ergoline and derivatives (CHEMONTID:0002679) Lysergic acids and derivatives (CHEMONTID:0002680) Ergopeptines (CHEMONTID:0002030) Ergotamines, dihydroergotamines, and derivatives (CHEMONTID:0000371) +0411_00031 C22H23N5O2 6.61 CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25 InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1 SPWSUFUPTSJWNG-JJUKSXGLSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyrroloindoles (CHEMONTID:0001733) NA (NA) NA (NA) +0411_00032 C22H30N4O4 6.66 C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1 SIIRBDOFKDACOK-LFXZBHHUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0411_00033 C17H20O6 6.77 CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ HPNSFSBZBAHARI-RUDMXATFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isocoumarans (CHEMONTID:0004191) Isobenzofuranones (CHEMONTID:0003409) Phthalides (CHEMONTID:0001873) NA (NA) +0411_00034 C20H19NO6 6.78 C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1 DAEYIVCTQUFNTM-ABAIWWIYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Ochratoxins and related substances (CHEMONTID:0001787) NA (NA) NA (NA) NA (NA) +0411_00035 C24H34O9 6.78 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 BXFOFFBJRFZBQZ-QYWOHJEZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0411_00036 C34H59NO15 6.81 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 UVBUBMSSQKOIBE-DSLOAKGESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00037 C18H24O5 6.86 C[C@H]1CCC[C@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1 FPQFYIAXQDXNOR-PMRAARRBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00038 C18H26O5 6.875 CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3 DWTTZBARDOXEAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00039 C14H10O5 6.89 CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3 CEBXXEKPIIDJHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0411_00040 C34H59NO14 6.99 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@H]([C@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23?,24?,25+,26+,27-,32+/m0/s1 CPCRJSQNWHCGOP-KUHXKYQKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00041 C18H24O5 7.09 C[C@H]1CCC[C@@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1 FPQFYIAXQDXNOR-QDKLYSGJSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0411_00042 C18H24O5 7.1 C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1 APJDQUGPCJRQRJ-LBPRGKRZSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0411_00043 C18H22O5 7.16 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 MBMQEIFVQACCCH-QBODLPLBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0411_00044 C34H59NO14 7.19 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1 UXDPXZQHTDAXOZ-STOIETHLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0411_00045 C23H30O6 7.23 C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1 JLSVDPQAIKFBTO-OMCRQDLASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrans (CHEMONTID:0000086) Pyranones and derivatives (CHEMONTID:0000481) NA (NA) NA (NA) +0411_00046 C27H33N3O7 7.33 CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 LRXYHMMJJCTUMY-GWXUGYLUSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0411_00047 C18H12O6 7.49 COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1 UTSVPXMQSFGQTM-DCXZOGHSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Sterigmatocystins (CHEMONTID:0001817) NA (NA) NA (NA) NA (NA) +0411_00048 C23H31NO4 7.51 CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C InChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(26)7-8-22(17,4)23(12)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27) ZSVLMDBFFSSVAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0411_00049 C26H34O7 7.52 CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1 NGGMYCMLYOUNGM-CSDLUJIJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0411_00050 C27H33NO4 7.81 C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1 ACNHBCIZLNNLRS-UBGQALKQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) NA (NA) NA (NA) NA (NA) diff --git a/processed_data/0411/0411_validation_qspr_outliers.tsv b/processed_data/0411/0411_validation_qspr_outliers.tsv new file mode 100644 index 000000000..ff49c93af --- /dev/null +++ b/processed_data/0411/0411_validation_qspr_outliers.tsv @@ -0,0 +1,4 @@ +id error +0411_00001 2.3111998074688023 +0411_00012 2.029844469729992 +0411_00019 1.139449676767498 diff --git a/processed_data/0412/0412_descriptors_canonical_success.tsv b/processed_data/0412/0412_descriptors_canonical_success.tsv new file mode 100644 index 000000000..b3dba33f3 --- /dev/null +++ b/processed_data/0412/0412_descriptors_canonical_success.tsv @@ -0,0 +1,174 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0412_00001 11.99853728292385 31.97267823865089 -0.30998838679431434 0.31902089703610126 4.052055240657095 8.469128838585048 0.75 -0.269 183.16711573819208 0 4 1.2399999999999998 6 6 9 0 20 0 0 -0.28330000000000066 0.08025889000000037 41.43 0 0 0 0 0 0 0 0 0 0 0 0 0.49455800174657155 42 122 11 18.25586556434545 1.8255865564345448 16.38779792800458 7.4935921136876065 2.8367595924414424 4.169925001442312 90.51 0.6666666666666666 0.4 0.646330407009565 0 1.1905507889761497 0 0 0 0 0 0 0 0.25 0.7071067811865476 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 4 3.7024793388429753 0.75 271.06 0 70 8.198670612749268 4.5378225629960305 4.115737948315653 2.608154351477155 1.5242736942483017 0.5773502691896258 0 0 7.120645797997202 4.292686895572373 3.2879796585424694 2.245376531774798 1.0918984081716905 0.3858576547112662 0 0 1.948414743035984 2.6494651325809233 2.250035887219581 1.0975484523352717 1.1711796733317885 0.7708211995926003 1.3350249857604999 0.17677669529663687 0 0 0.630568927578611 0.06849957804389888 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 370.24459205273456 379.87673988671884 451.12973383593766 384.9864970390626 261.23705257910166 24.461554246634385 24.26299828243505 26.89590077987458 20.34648535584629 15.439306681552257 0.451379543398459 -0.33981751656601644 0.29556674180589165 -0.31717740083001084 0.18470391815194154 1 4 22.904069999999997 23.74393 +0412_00002 11.99635509858514 15.998704604668943 -0.35135979553795316 0.2791968355732809 3.7261652067634894 7.246793057990307 0.6666666666666666 -1.139 160.1713256234177 0 5 1.57 4 8 10 0 23 0 0 -0.6908 0.47720463999999996 38.8506 1 0 0 0 0 0 0 0 0 0 0 0 0.435019460512485 44 184 9 20.319805812573385 1.8472550738703077 13.036441249266622 7.2317044768573755 5.804736772409244 4.321928094887363 69.64 0.75 0.42857142857142855 0.4999999999999999 0.894427190999916 0.9428090415820635 0 1 2.8284271247461903 0 0.33333333333333337 0 0 0.814325284978472 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 5.625 7.901234567901234 0.6666666666666666 374.05 0 109 8.85337115112852 5.0197445078035825 4.705917945342385 2.1105896635362513 1.540440114519881 0.8727792358683422 0.2721655269759087 0.2721655269759087 6.625137334300737 3.206995858150285 2.3231454683082675 0.9142348298198734 0.5257664474169019 0.2368757230291909 0.07981258605218569 0.04782177322938192 0.8951682068889271 1.1380711874576983 1.108481496263858 0.24075284286013132 0.26040927501251887 0.18778638353164237 1.1051717155225391 0 0 0 0.36032530383547245 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 396.7384773875734 397.8116274860841 436.5014975764773 340.1460910131837 300.5239120229493 14.043367709175799 11.85480203221551 14.988934296727033 10.8821013948252 10.992823752023714 0.4077430740017556 -0.17119728701885528 -0.015150343786346249 0.08180706795046735 -0.26968690333947415 2 5 16.354484 23.167516 +0412_00003 11.998657437038112 31.97267807371131 -0.31039701382941454 0.3100054674270184 3.9527447419696093 7.445503690343418 1 -0.5449999999999999 141.1303575093951 0 2 1.13 4 5 6 0 15 0 0 -0.2733000000000002 0.07469289000000011 31.8641 0 0 0 0 0 0 0 0 0 0 0 0 0.6200650459240161 28 44 6 12.442703820042826 1.777529117148975 13.16941738241592 4.981155300614687 2.353553390593274 3.584962500721156 87.42999999999999 1 0.5 0.25 0 0 0 0 0 0 0 0 0 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 2.34375 2.6666666666666665 1 154.05 0 34 5.914213562373096 3.1213203435596424 2.871320343559643 1.914213562373095 0.25 0 0 0 5.289747776722965 3.3904768518794937 2.669973642912493 1.75136542252504 0.33557802760701216 0 0 0 1.7071067811865475 1 0.25 0.9198185274190359 0.48893821995291303 0.07909649964604158 1.2071067811865475 0.25 0 0 0.589073306758206 0.07909649964604158 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 224.31777972656255 218.23795207812512 237.6540498906251 155.85186257812506 27.51316091015625 20.68708521109344 20.764724372122043 20.265325649663573 8.998425002311567 1 0.3112424392766147 -0.2702833234045352 0.20653548611730993 -0.10684886670000887 0.014975484348926758 1 3 18.439656 18.088344 +0412_00004 11.85 15.994919676351799 -0.26357080366280944 0.3144955974870783 4.623701038001584 8.906094342838346 0.2 0.16200000000000003 217.22762822271298 0 2 1.9 14 10 17 0 27 0 0 -0.6648000000000008 0.44195904000000114 61.243100000000005 0 2 1 2 1 0 0 0 2 0 0 0 0.3197658402969725 78 478 20 32.29479070018899 2.018424418761812 17.98823213753753 2.5416026411880432 15.44662949634949 5.08746284125034 69.42 0.8 0.4444444444444444 0 1.0476828166363115 1.040041911525952 0 5.479913756094796 5.629749142285957 0 0.7663094323935531 0 0 0 0 0 0 0 0 1.6090876675904102 1.7091480255849363 0 0 0 0 0 0 0 1 0 1 0 1 4 0 0 0 2 1 0 0 0 0 0 0 1 0 0 0 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12.456747404844291 6.074380165289257 3.769230769230769 0.2 544.06 0.875 244 11.380468888623982 7.7540201954234895 6.73697389862975 5.2951145995167765 3.978058476053199 3.2757611286866273 1.6568717607981815 1.0274506329910744 8.790960799598373 4.802014434784569 3.3526106527458817 1.9860346959530315 1.206827679976564 0.7593552352534917 0.2940597654396968 0.14232113164871846 1.8023974857179377 2.338559025764731 3.1490914584736847 0.5048921826501106 0.5256472266921155 0.5310622984796021 0.895168206888927 0 0.11785113019775793 0 0.37069315245077517 0 0.014433756729740642 0 0 0 0 0.17010345435994295 0.2563640695691264 0 0 0 0.042522869279661354 0.04714462480868613 0 0 3 3 1 2 0 0 0 837.6333475988122 931.993977329842 1182.4410319119609 1054.3557501756134 749.8601527099304 18.57437054192335 19.215326111948645 25.294904760394616 23.654613172442772 16.21505422272032 0.3789338910595351 -0.17671022056992683 -0.11357401998287285 0.09033913290875377 0.059975391130041404 1 6 16.943277 31.236723 +0412_00005 11.99640038385445 31.972072560134198 -0.3327591480908398 0.37292769930838315 4.242096216879307 8.561006386403704 0.8 -1.052 213.19313807020103 0 6 1.2399999999999998 4 8 11 0 24 0 0 -0.3333999999999998 0.11115555999999988 48.0336 0 0 0 0 0 0 0 0 0 0 0 0 0.46821352726227267 50 218 14 22.245584201173873 1.8537986834311562 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-0.17000375842133109 0.12798259149635438 -0.0453677641278238 -0.04871331151114476 1 3 17.511691 36.60830899999999 diff --git a/processed_data/0412/0412_descriptors_isomeric_success.tsv b/processed_data/0412/0412_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..00dad6a49 --- /dev/null +++ b/processed_data/0412/0412_descriptors_isomeric_success.tsv @@ -0,0 +1,174 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 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62,96,134,153,230,247,256,271,296,347,366,405,449,450,460,487,496,505,515,542,549,564,613,686,696,704,750,776,783,792,800,820,841,850,893,898,948,952,954,968,994 +0412_00015 15,20,36,49,55,89,134,210,220,221,224,237,254,255,282,286,292,347,389,416,419,461,470,473,474,504,508,513,549,670,671,727,741,748,772,781,788,830,855,862,883,948,968,982,985 +0412_00016 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0412_00017 13,31,41,75,126,134,199,220,256,260,347,367,388,404,449,465,487,515,518,549,550,564,684,812,815,820,878,892,893,898,915,941,948,954,968,1015 +0412_00018 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0412_00019 3,15,35,41,55,70,89,95,110,120,125,134,143,144,146,152,153,192,196,197,211,224,232,237,239,240,244,245,246,252,254,256,260,265,274,279,294,318,341,347,379,383,407,420,421,435,452,457,461,467,494,507,508,509,531,534,540,543,549,555,566,570,573,603,605,607,644,652,658,663,666,670,672,679,696,698,713,716,725,727,744,749,755,767,772,777,794,797,805,813,827,842,846,876,882,886,899,911,914,925,930,948,951,959,964,968,974,983,990,994 +0412_00020 4,15,20,34,42,44,45,55,57,62,66,89,93,123,134,153,180,186,189,192,195,237,245,252,259,294,300,323,335,347,418,471,475,496,497,500,505,508,530,540,597,626,640,662,708,722,772,773,789,874,915,916,925,927,929,930,948,981,985,994 +0412_00021 96,105,134,144,145,181,207,245,246,249,260,319,329,335,343,347,356,387,390,395,405,421,459,487,488,524,526,550,561,569,626,655,659,665,684,687,732,759,812,852,881,936,942,948,968,977,979,987,1011 +0412_00022 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0412_00023 4,6,15,20,32,40,42,58,89,115,134,151,182,189,193,201,204,223,245,254,262,267,270,303,328,347,422,431,445,454,456,461,464,477,508,515,534,540,549,550,562,573,612,631,635,636,640,654,691,692,695,705,710,711,728,762,778,794,851,868,870,882,893,908,909,935,938,948,964,968,980,1012 +0412_00024 20,62,94,134,151,153,154,194,220,240,256,295,310,322,340,347,381,405,411,429,437,442,449,471,505,508,513,524,544,564,611,615,629,642,645,663,666,710,722,727,756,763,764,782,808,820,821,823,878,889,897,898,948,954,964,968,984,994,1008 +0412_00025 18,43,69,153,189,256,340,347,363,411,420,442,473,505,649,708,763,795,812,820,842,867,915,943,948,954,994,1008,1022 +0412_00026 57,110,153,203,207,254,347,360,378,396,411,452,505,508,630,637,763,788,790,802,915,944,948,954,994,1023 +0412_00027 15,20,43,89,153,155,210,221,237,265,343,348,349,439,452,473,474,508,539,670,684,727,738,763,772,788,838,852,883,904,915,948,994,1024 +0412_00028 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0412_00029 1,12,15,20,26,39,42,62,87,134,144,153,198,237,300,307,326,345,347,381,391,408,413,415,430,443,461,462,487,497,498,499,508,520,539,544,550,556,670,705,719,727,751,759,762,770,778,781,785,806,812,824,825,826,839,861,865,873,915,936,946,948,963,968,973,994,1012,1016 +0412_00030 15,20,26,33,35,89,124,134,143,153,175,194,223,225,237,245,252,327,347,392,401,442,465,469,478,499,500,508,524,531,544,559,603,656,658,663,676,727,762,771,848,850,852,890,948,957,970,983,1022 +0412_00031 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0412_00032 16,33,134,153,201,220,224,230,247,256,260,311,347,375,405,407,411,429,442,449,505,515,564,613,616,625,626,670,686,726,740,750,763,795,808,820,852,910,922,948,954,968,970,988,994 +0412_00033 15,20,34,42,43,44,55,62,80,89,91,93,134,146,153,160,186,189,192,195,207,245,259,274,323,347,360,418,496,497,505,508,530,540,546,582,594,597,626,640,707,708,758,776,802,816,834,874,903,915,916,925,940,948,968,994,1002 +0412_00034 15,20,26,35,44,58,78,89,130,131,134,140,143,152,153,175,194,220,225,245,252,255,273,347,357,370,373,401,415,445,456,469,478,499,500,508,531,534,540,582,636,663,689,727,734,762,771,774,850,908,946,948,962 +0412_00035 153,256,304,343,347,382,411,442,505,649,659,679,763,789,795,820,842,915,948,954,994,1022 +0412_00036 15,18,62,86,111,128,134,153,168,217,265,283,290,340,345,346,347,430,432,445,461,468,515,539,606,622,642,719,725,744,753,754,776,778,786,826,867,874,910,938,948,968,973,994,1000,1002,1012 +0412_00037 1,12,15,20,26,42,62,87,134,144,151,152,153,160,194,198,237,238,261,326,347,381,408,413,433,461,462,487,497,498,499,502,508,520,539,550,562,670,705,719,727,751,759,770,778,781,785,806,812,824,825,826,839,844,861,873,915,933,946,948,963,968,973,994,1012 +0412_00038 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0412_00039 14,15,20,26,34,57,73,91,134,144,153,220,222,237,240,245,284,316,347,367,426,443,451,461,508,515,520,634,640,652,656,659,674,681,683,685,686,687,718,720,727,767,777,781,784,814,815,841,866,924,939,948,963,968,977,993,994 +0412_00040 5,14,15,67,89,98,116,120,134,137,144,153,172,199,201,213,214,220,237,240,260,264,268,347,402,414,415,451,473,493,494,504,508,512,525,550,656,667,687,694,749,762,772,780,812,831,844,863,909,927,930,938,948,968,977,994,1009 +0412_00041 62,73,75,134,140,153,155,174,197,220,256,260,347,353,363,411,442,449,468,471,498,505,550,558,577,636,653,763,795,812,820,842,851,867,891,915,948,954,968,994,1015 +0412_00042 20,38,96,109,134,144,145,161,206,207,256,260,268,278,286,326,347,421,461,483,487,502,511,515,516,530,550,575,589,605,657,671,714,722,779,802,820,824,866,867,871,877,883,948,968,977,983,1004,1019 +0412_00043 20,26,38,63,89,96,109,134,145,146,161,167,207,215,256,260,274,287,297,321,347,396,401,420,421,452,487,497,499,508,511,515,544,550,555,575,647,686,689,717,726,727,747,781,795,804,807,808,815,835,871,892,909,948,965,968,969 +0412_00044 15,20,26,35,44,58,89,90,131,134,140,143,153,175,194,207,208,220,225,245,252,255,312,347,370,373,401,415,445,456,469,478,491,499,500,508,514,531,534,540,582,636,663,689,727,734,762,771,774,850,872,908,946,948,952,962,968 +0412_00045 58,95,134,138,153,159,193,207,220,254,262,304,305,330,367,392,417,453,502,508,515,516,536,564,617,621,636,644,657,738,790,819,848,937,948,953,968,989,994,995,1014,1023 +0412_00046 20,38,96,109,115,134,144,145,151,153,209,220,223,225,259,260,270,281,295,296,310,321,326,342,343,347,373,377,392,394,405,421,451,487,508,510,511,524,527,550,561,575,595,623,628,635,642,674,686,725,727,729,753,767,776,777,796,823,836,850,863,871,872,897,915,925,944,948,956,968,977,987,1014 +0412_00047 38,51,54,63,77,96,106,109,130,134,144,145,153,161,191,214,256,260,270,274,304,347,349,350,358,361,403,421,459,482,486,487,505,511,515,526,548,550,575,588,626,668,692,725,750,776,781,800,807,812,863,871,896,907,934,948,968,977,994 +0412_00048 1,19,34,96,98,114,134,144,153,155,178,183,209,214,270,274,281,295,347,360,365,366,388,405,430,486,487,493,494,504,550,580,612,616,661,718,725,742,771,780,781,786,791,800,831,842,863,908,914,948,960,968,974,977,1012 +0412_00049 15,20,25,26,35,36,55,62,69,89,93,108,120,134,136,153,163,164,176,179,184,194,198,207,219,220,230,236,238,245,250,254,260,265,266,268,273,274,281,285,294,297,301,313,318,327,341,347,353,355,357,368,370,376,382,391,416,425,438,461,467,473,474,477,485,492,503,508,516,521,534,548,549,552,562,563,569,574,583,601,604,626,631,646,651,655,673,682,697,704,709,726,732,756,761,767,782,786,795,802,805,813,819,825,829,830,834,837,840,848,855,869,883,884,885,887,897,906,914,916,917,918,924,933,934,936,945,947,948,964,968,973,974,978,979,984,994,998,1008,1023 +0412_00050 52,57,119,134,220,249,260,343,347,449,508,522,542,550,616,636,686,699,766,812,903,948,954,968,994 +0412_00051 14,20,65,144,190,243,259,292,347,451,494,508,516,543,550,570,579,598,631,645,649,727,761,787,850,863,913,931,948,970,977,998,1014 +0412_00052 14,20,35,55,61,167,207,243,259,311,347,451,472,484,494,508,516,536,539,548,570,645,727,754,762,787,802,837,838,948,957,970,998 +0412_00053 20,52,62,144,153,240,245,270,287,347,360,413,430,508,513,516,544,557,592,643,655,670,727,739,761,778,830,844,847,872,893,948,970,994 +0412_00054 9,134,220,245,293,398,461,508,513,662,693,766,830,948,968,1016 +0412_00055 20,55,61,115,144,242,243,259,347,395,471,497,508,516,521,568,570,599,617,620,645,654,670,727,781,787,915,948,957,970,996,998,1015 +0412_00056 14,21,57,58,153,157,206,248,262,306,325,347,363,442,451,487,508,549,562,565,621,713,743,753,778,789,915,948,954,994 +0412_00057 20,55,61,111,112,243,259,323,347,508,516,570,604,617,645,655,698,727,762,777,787,915,948,957,970,998,1015 +0412_00058 22,45,57,87,130,146,153,155,162,206,236,325,347,363,442,487,508,512,547,549,565,626,713,789,793,915,948,954,994 +0412_00059 14,20,55,61,106,117,144,153,172,183,243,259,290,347,396,416,451,461,494,508,516,540,570,645,703,727,787,826,879,948,957,970,977,982,998 +0412_00060 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0412_00061 96,134,139,145,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0412_00062 20,30,57,146,153,347,362,365,412,486,487,508,510,516,549,555,570,574,614,727,762,775,832,850,928,948,954,994,995,998,1022 +0412_00063 4,7,20,30,57,144,175,266,347,365,392,412,486,487,508,510,549,574,599,646,670,675,727,762,775,832,850,948,954,994,995 +0412_00064 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0412_00065 95,96,134,145,153,256,297,313,332,347,411,421,442,447,468,487,489,505,550,577,635,644,749,763,820,856,868,913,915,948,954,968,994 +0412_00066 20,55,61,68,117,144,146,153,197,236,243,259,288,347,508,516,540,570,571,613,645,684,703,727,764,787,826,854,948,957,970,977,982,997,998 +0412_00067 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0412_00068 20,70,131,134,146,197,220,236,243,260,288,347,367,441,465,466,508,515,516,520,570,624,727,745,775,848,899,948,963,968,970,998,1007,1011 +0412_00069 20,32,43,53,63,75,96,134,146,153,155,162,181,236,243,347,380,408,487,498,508,516,520,550,568,570,648,696,705,719,727,793,830,835,893,937,945,948,958,968,970,994,998,1011 +0412_00070 14,20,32,43,75,96,134,153,157,181,243,245,251,286,347,373,380,408,451,487,508,516,520,522,550,562,570,594,621,650,652,696,705,719,727,835,945,948,968,970,994,998,1008,1011 +0412_00071 14,20,27,70,134,220,236,243,260,288,347,367,441,451,465,466,469,494,508,515,516,520,570,625,727,775,778,792,814,941,948,968,970,998,1011 +0412_00072 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0412_00073 20,39,57,63,128,153,206,207,268,325,333,347,363,379,442,485,487,497,499,508,516,549,565,570,713,727,789,802,847,866,896,915,917,940,948,954,998,1008 +0412_00074 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0412_00075 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0412_00076 12,144,150,153,172,256,338,347,382,407,411,442,505,649,659,679,690,731,763,795,820,842,915,948,954,977,993,994,1022 +0412_00077 20,37,144,146,190,197,236,243,259,317,347,474,492,508,516,543,550,570,598,631,645,652,727,787,850,884,948,970,971,977,998,1014 +0412_00078 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0412_00079 5,9,12,13,20,35,39,62,84,94,107,128,134,141,145,148,151,152,153,178,180,183,197,207,225,231,236,262,282,289,314,319,324,347,362,390,396,398,399,445,469,479,480,481,497,508,511,520,529,552,556,608,625,626,638,640,646,704,727,762,773,775,777,778,779,802,826,832,868,912,948,977,994,1017 +0412_00080 20,30,57,194,300,347,365,412,482,486,487,508,510,549,574,652,727,733,737,762,775,832,850,930,948,954,975,994,995 +0412_00081 4,13,15,42,52,74,88,89,93,95,117,134,145,150,151,180,193,199,245,268,298,311,347,384,404,422,442,461,465,490,508,515,534,549,571,575,576,578,606,656,681,683,700,705,716,748,772,778,781,782,786,813,833,858,859,871,892,899,941,948,968,973,1005,1011,1012,1013,1022 +0412_00082 20,37,73,74,109,129,134,141,144,163,165,243,259,260,277,288,330,347,395,456,466,487,490,508,515,516,520,550,570,663,670,685,727,732,781,850,863,868,948,959,961,968,970,998,1011 +0412_00083 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0412_00084 20,31,53,68,87,96,102,127,134,137,151,153,165,181,188,207,211,241,243,256,294,295,297,347,395,408,411,449,461,487,494,497,502,505,508,516,524,550,596,627,639,705,727,763,771,802,820,826,916,948,954,968,994,1018 +0412_00085 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0412_00086 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0412_00087 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0412_00088 13,15,20,52,134,153,170,175,182,193,220,223,245,261,298,347,367,413,461,480,487,497,508,524,532,539,549,550,575,613,627,641,657,670,679,717,727,758,778,781,798,898,948,968,1001,1008,1012,1018 +0412_00089 20,66,68,74,76,84,108,134,144,146,182,197,198,199,211,227,236,255,272,278,295,327,347,351,386,389,405,461,476,487,508,515,516,531,541,549,550,553,580,585,599,605,613,633,634,647,670,686,721,725,727,772,774,778,805,822,850,939,948,968,992,1017 +0412_00090 20,115,143,144,153,186,220,256,263,278,292,347,376,413,442,455,487,508,533,549,594,670,727,748,768,795,820,850,915,948,954,964,979 +0412_00091 57,76,134,138,180,242,249,260,347,385,417,449,453,487,508,510,549,550,636,637,657,699,771,792,812,942,948,954,968,989,994,1013 +0412_00092 20,49,50,52,74,84,90,96,108,122,134,146,153,181,188,221,236,257,278,280,347,385,405,408,430,439,461,464,476,487,505,508,516,531,549,550,553,613,645,671,679,692,705,727,743,772,778,800,822,833,847,873,916,918,926,947,948,953,968,992 +0412_00093 13,17,20,55,61,115,117,144,153,208,243,259,347,494,508,516,519,540,570,645,703,727,787,789,826,881,915,948,957,970,977,982,998,1015 +0412_00094 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0412_00095 4,13,15,42,44,46,74,88,89,93,95,117,134,150,193,199,245,252,298,311,347,392,404,422,442,461,465,508,515,522,534,549,575,576,578,586,606,630,656,681,683,700,705,716,748,772,778,781,782,786,813,858,863,871,892,899,941,948,968,987,1005,1011,1022 +0412_00096 20,44,93,96,134,142,278,300,329,347,390,414,446,462,467,482,487,508,516,530,541,549,550,560,689,698,722,727,789,820,948,968,970 +0412_00097 13,20,28,49,50,65,74,84,108,134,146,151,178,189,202,206,220,236,257,272,277,278,300,347,400,405,446,452,461,472,508,516,525,531,549,553,567,570,613,671,684,687,701,710,727,762,772,773,778,822,840,845,916,941,948,968,992 +0412_00098 15,16,20,26,49,64,73,86,89,98,122,134,152,153,182,190,207,212,220,230,260,273,304,347,348,370,420,461,487,493,499,508,511,520,524,544,549,563,579,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,848,850,858,874,883,885,886,936,948,959,968,974,986,987,988,989,1007 +0412_00099 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0412_00100 15,20,26,42,43,95,134,198,243,279,313,347,380,404,408,461,487,492,499,506,508,516,520,539,550,570,605,606,649,696,705,727,769,781,782,881,948,963,968,970,974,987,998,1011 +0412_00101 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0412_00102 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0412_00103 20,28,31,49,50,65,68,74,84,90,96,108,134,146,151,168,188,189,211,220,221,236,257,272,278,300,347,380,405,461,487,505,508,516,531,549,550,553,567,568,599,604,613,671,684,687,727,772,778,822,832,840,868,873,887,916,918,941,948,968,992 +0412_00104 4,6,13,15,42,44,46,74,86,89,93,95,119,134,148,193,234,245,252,303,318,347,392,394,404,422,442,461,471,508,515,522,534,542,544,549,556,576,578,586,630,648,656,681,683,700,705,748,778,786,813,858,863,877,886,906,941,948,968,987,1005,1011,1013,1022 +0412_00105 13,14,21,53,57,62,63,64,101,127,134,152,153,207,220,260,266,297,347,367,383,411,433,446,449,451,465,469,494,505,508,512,515,516,544,550,561,570,726,763,802,804,812,948,954,968,994,1002 +0412_00106 43,65,69,153,256,325,333,341,347,382,411,420,442,505,649,659,679,763,795,820,842,915,948,954,994,1022 +0412_00107 13,21,53,57,64,111,127,134,146,148,153,197,207,220,236,260,276,297,321,347,367,383,407,411,433,446,449,465,505,508,515,516,544,550,570,678,726,742,745,763,802,812,873,948,954,968,994,995,1002 +0412_00108 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0412_00109 20,58,78,96,134,139,145,207,278,347,381,421,487,497,502,508,516,530,549,550,596,659,673,715,723,727,802,848,908,948,968,970 +0412_00110 28,33,53,75,134,193,207,336,399,405,407,516,520,531,563,580,613,615,702,712,735,802,848,886,915,917,918,925,948,953,998,1015 +0412_00111 14,28,58,75,134,153,292,399,405,435,468,516,531,580,600,613,615,654,915,917,918,948,953,994,1000,1015 +0412_00112 15,29,51,89,99,117,134,144,174,210,237,245,258,266,310,327,367,405,445,465,473,508,509,524,570,585,615,670,671,686,725,729,744,761,772,788,836,940,948,957,1012,1024 +0412_00113 20,55,58,97,128,129,153,245,259,270,347,399,410,420,450,492,508,516,517,541,549,596,637,727,772,791,800,835,837,838,902,909,948,954,994,1017 +0412_00114 43,57,69,113,153,189,206,325,347,363,420,442,473,487,508,549,565,708,713,789,847,915,943,948,954,994,1008 +0412_00115 3,9,15,20,26,50,61,89,103,106,119,127,157,161,175,197,203,208,212,214,230,246,255,261,270,277,289,295,298,300,302,315,326,331,338,346,347,352,354,363,367,390,395,398,410,418,449,457,461,471,486,487,490,499,508,536,539,540,548,549,559,561,564,574,592,602,613,626,634,635,656,657,663,665,690,692,702,719,727,749,762,779,782,785,790,813,822,823,850,855,856,866,883,886,905,918,928,930,936,948,964,968,974,982,993,995,1009,1024 +0412_00116 17,20,25,66,74,76,84,108,134,146,153,182,188,190,198,199,217,236,278,281,295,305,314,347,351,405,461,476,487,508,515,516,531,541,549,550,553,580,585,605,613,624,634,647,658,669,686,699,721,725,727,772,778,793,822,850,873,904,948,968,992,994 +0412_00117 15,59,96,134,135,145,153,185,207,229,256,260,310,339,347,374,411,420,421,435,449,468,480,481,487,505,550,575,592,616,636,763,769,812,820,835,901,909,932,948,954,968,987,994 +0412_00118 20,23,32,43,69,75,96,134,153,155,181,222,243,347,380,408,420,487,490,508,516,520,545,550,570,593,696,705,719,727,742,835,868,915,945,948,968,970,994,998,1011 +0412_00119 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0412_00120 15,57,88,110,134,153,175,177,187,207,245,252,254,299,310,347,360,378,403,411,453,465,505,508,524,529,570,623,634,637,763,773,791,802,809,915,925,948,954,994,1020 +0412_00121 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0412_00122 20,47,55,72,111,112,144,237,259,273,300,307,323,347,458,508,604,617,620,645,670,698,727,762,770,825,873,915,948,1015,1024 +0412_00123 22,45,87,130,146,153,155,162,236,256,340,347,363,411,442,505,508,547,649,673,684,763,793,795,820,842,867,915,948,954,994,1022 +0412_00124 13,14,153,157,248,256,262,306,340,347,363,411,442,451,505,508,562,621,649,743,753,763,778,795,820,842,867,915,948,954,982,994,1022 +0412_00125 43,69,153,189,220,256,342,347,363,397,420,442,473,487,549,708,748,795,812,820,867,915,943,948,954,994,1008 +0412_00126 20,29,31,53,68,96,102,114,127,134,147,151,165,181,188,207,211,241,243,256,294,295,297,304,347,387,395,408,449,487,494,497,502,508,516,524,549,550,596,705,727,802,820,826,916,948,954,968,1018 +0412_00127 26,32,49,63,100,107,134,153,185,209,220,251,260,347,358,397,445,447,459,499,505,511,515,522,550,559,582,602,649,651,654,662,689,695,710,742,750,797,800,812,948,968,993,994 +0412_00128 20,31,68,96,102,134,151,164,165,181,188,207,211,256,294,295,347,395,408,440,449,461,463,481,487,497,502,508,524,544,549,550,596,705,727,802,820,826,910,948,954,955,968,1018 +0412_00129 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0412_00130 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0412_00131 105,133,134,144,158,192,193,220,259,330,367,391,454,460,515,542,550,602,608,659,670,686,732,796,802,819,850,888,948,968,1023 +0412_00132 14,116,134,153,199,205,256,260,347,364,411,429,442,449,451,469,494,505,508,517,550,564,636,687,708,763,808,812,820,824,840,878,948,954,968,994,1023 +0412_00133 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0412_00134 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0412_00135 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0412_00136 7,134,154,216,217,220,225,245,298,306,354,379,403,405,425,494,508,515,521,523,542,550,613,622,640,686,773,802,874,905,948,956,958,968,1005 +0412_00137 116,134,138,153,180,199,242,256,260,347,364,385,411,417,429,442,449,453,505,508,550,564,636,637,657,687,763,771,792,808,812,820,942,948,954,968,989,994 +0412_00138 20,52,79,80,97,130,134,138,142,153,173,207,220,242,254,261,304,326,327,331,338,347,349,412,417,453,497,502,508,515,520,596,637,657,713,727,744,797,802,808,812,819,860,876,892,948,968,989,994,1023 +0412_00139 5,8,71,77,95,134,138,144,153,160,193,207,214,254,304,363,375,417,428,453,502,504,508,515,516,657,672,802,819,831,835,883,920,948,968,977,989,994 +0412_00140 20,26,74,78,96,109,134,139,145,153,184,230,260,278,321,347,381,410,421,434,466,487,505,508,515,516,520,530,544,550,611,659,663,673,723,727,781,821,830,840,866,905,913,915,926,948,961,968,970,994 +0412_00141 20,26,74,109,134,181,184,220,230,260,278,296,300,347,373,381,410,466,482,487,508,515,516,520,522,530,541,549,550,611,626,673,686,727,771,781,802,821,840,905,911,915,926,948,961,968,970,999,1022 +0412_00142 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0412_00143 15,88,111,131,134,144,153,175,207,214,232,237,270,281,297,413,444,454,493,504,524,550,558,606,646,647,764,773,780,788,802,831,863,934,948,954,968,974,977,985,989,994,1000 +0412_00144 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0412_00145 15,20,26,49,64,71,73,86,89,98,134,153,182,187,190,207,212,220,227,230,245,273,304,333,347,348,370,372,420,461,487,499,508,511,520,524,544,549,563,612,626,640,671,680,719,722,727,754,762,767,795,798,802,819,834,839,848,850,858,864,885,886,894,913,936,948,959,968,974,977,982,986,987,988,989 +0412_00146 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0412_00147 15,89,111,131,134,144,153,194,207,214,232,260,270,281,290,413,444,456,461,469,493,500,504,524,550,558,632,763,764,773,780,802,831,850,861,863,903,934,948,968,974,977,985,989,994,1000 +0412_00148 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0412_00149 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0412_00150 13,20,60,76,119,134,182,207,210,220,253,261,265,300,332,338,347,367,389,406,407,461,480,485,487,508,525,529,549,550,552,589,595,607,654,670,717,727,781,802,807,832,863,896,898,906,948,968 +0412_00151 86,96,134,153,180,210,220,226,245,256,272,344,347,371,390,433,442,448,487,508,524,549,550,603,609,654,658,714,748,795,801,817,820,915,948,954,968,969 +0412_00152 15,26,59,66,68,84,89,134,142,146,153,197,199,231,236,247,260,262,265,304,312,316,347,422,461,473,499,500,505,508,515,516,517,534,539,540,550,562,568,627,678,738,786,812,859,917,948,968,994 +0412_00153 20,70,134,193,207,220,243,260,288,347,360,403,452,466,501,508,515,516,520,570,604,614,644,647,686,695,727,775,779,802,814,870,948,968,970,998,1011 +0412_00154 15,26,32,55,60,62,89,91,120,130,134,144,153,209,212,222,232,254,328,347,350,431,456,461,509,534,544,568,620,652,670,704,711,762,768,772,812,817,829,844,852,908,916,948,977,987,994,1000,1019 +0412_00155 20,96,134,139,145,220,260,381,405,421,451,487,515,516,530,531,550,613,643,648,722,824,880,907,910,916,948,968,971,988,1003,1013 +0412_00156 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0412_00157 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0412_00158 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0412_00159 15,18,26,46,64,69,89,130,132,134,139,153,212,220,229,245,301,326,383,391,440,461,499,506,508,538,553,573,626,630,639,649,672,680,682,713,724,725,754,767,819,835,836,845,848,881,922,936,948,968,974,1001,1004 +0412_00160 59,96,134,138,145,153,180,185,207,242,256,260,310,339,347,374,385,411,417,421,449,453,468,480,487,505,508,550,592,616,636,637,657,763,769,771,792,812,820,901,942,948,954,968,987,989,994 +0412_00161 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0412_00162 9,20,49,90,97,98,134,207,220,241,300,330,343,347,350,354,469,490,497,502,508,516,522,540,542,550,559,580,593,596,647,656,686,715,727,739,802,850,909,917,922,948,962,968,970 +0412_00163 23,47,96,118,134,145,153,168,194,216,256,310,319,340,347,405,411,421,422,429,442,446,449,487,500,505,524,542,550,564,572,605,666,734,763,808,820,838,936,943,948,953,954,968,984,994,1005,1011 +0412_00164 7,20,100,115,143,144,153,186,235,244,256,347,411,413,442,505,508,544,612,628,649,663,670,680,727,737,745,748,763,795,820,825,842,915,948,954,992,994,1021,1022 +0412_00165 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0412_00166 1,10,15,17,89,103,132,134,182,217,237,245,260,289,301,309,325,353,363,368,394,417,446,452,461,508,515,529,534,554,566,597,626,630,634,640,656,661,668,676,679,683,688,723,762,763,772,775,876,885,927,947,948,968,985,987,1009,1017,1022,1024 +0412_00167 59,69,74,86,96,134,135,146,153,245,256,257,272,284,314,329,330,345,347,405,411,422,433,442,487,500,505,508,524,550,592,596,603,609,633,649,654,665,714,718,746,763,795,820,842,872,915,917,948,954,968,984,994,1022 +0412_00168 57,62,153,197,252,303,334,347,363,368,396,411,442,471,505,508,537,707,763,788,915,948,954,994 +0412_00169 99,134,138,180,199,242,256,260,347,385,417,449,453,487,508,549,550,564,636,637,657,684,687,771,792,812,820,893,898,942,948,954,968,989 +0412_00170 20,62,91,96,114,134,144,145,153,168,207,243,270,330,360,372,421,481,487,508,550,588,591,662,670,674,682,727,731,802,863,937,948,968,977,982 +0412_00171 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0412_00172 20,53,61,63,114,134,144,153,220,245,270,281,282,297,306,336,337,374,389,420,458,508,514,515,516,528,550,565,635,670,686,727,748,776,777,783,803,810,814,828,849,874,878,897,912,938,948,968,977,994 +0412_00173 66,96,97,113,131,134,139,145,165,195,220,227,260,374,381,401,405,418,421,451,487,515,516,530,531,550,572,613,648,788,824,871,878,880,907,909,916,948,955,968,971,988,1003,1013 diff --git a/processed_data/0412/0412_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0412/0412_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..7d6ce6ab1 --- /dev/null +++ b/processed_data/0412/0412_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,174 @@ +id bits.on +0412_00001 20,57,125,214,241,347,370,487,508,516,549,678,727,762,884,893,911,915,948,954,960,1009,1015 +0412_00002 20,21,44,94,108,126,144,153,273,304,336,366,480,508,516,530,626,670,727,752,771,843,948,1000,1005 +0412_00003 57,338,346,347,425,481,487,508,549,678,807,915,948,954,955,1015 +0412_00004 15,62,80,81,87,110,116,119,132,134,153,195,208,220,245,259,272,385,393,398,399,405,426,439,487,508,524,539,550,568,571,585,618,623,624,625,628,642,662,676,725,794,805,806,825,829,843,850,926,948,968 +0412_00005 20,57,115,153,206,248,282,339,347,366,383,416,442,487,508,516,549,570,672,713,727,789,915,948,954,983,987,998 +0412_00006 20,96,134,145,153,167,174,207,256,324,347,378,408,421,467,487,505,508,544,549,550,601,624,631,647,663,709,722,727,746,748,751,781,795,820,863,915,918,948,954,968,994 +0412_00007 153,175,256,269,347,411,429,505,544,564,694,763,820,847,856,948,954,994 +0412_00008 20,31,55,68,96,101,129,134,144,153,181,182,211,220,223,259,260,266,287,300,334,336,347,367,381,408,426,482,487,500,508,516,517,549,550,600,606,651,696,705,710,718,719,725,727,748,767,769,800,850,945,948,955,968,993 +0412_00009 15,20,43,62,153,158,265,349,508,670,707,727,735,748,778,787,838,844,915,916,919,948,994,1024 +0412_00010 26,38,96,97,101,109,134,139,145,156,161,205,227,236,245,256,260,267,347,348,381,403,421,461,466,467,481,487,494,499,508,511,516,521,524,530,540,550,575,644,693,707,757,794,812,871,883,948,963,966,968,970,1008,1015 +0412_00011 1,15,20,26,34,35,43,44,58,80,89,90,103,131,134,153,171,207,218,220,223,245,270,285,300,312,347,349,367,373,401,417,452,491,499,508,514,531,533,534,540,549,627,636,656,680,689,692,727,728,732,762,774,801,818,820,850,872,939,946,948,949,952,968,1003 +0412_00012 45,96,101,108,134,153,183,207,230,256,347,393,405,411,429,442,449,484,487,494,505,550,564,580,613,658,682,683,686,725,743,750,763,773,791,795,808,820,910,948,954,968,994,1012,1015 +0412_00013 13,20,26,42,60,62,95,96,134,145,153,182,207,220,257,261,270,300,308,332,338,347,367,406,407,411,413,421,432,480,487,508,522,549,550,588,607,670,702,727,781,802,827,832,863,896,898,901,948,968 +0412_00014 62,96,134,153,230,247,256,271,296,347,366,405,449,450,460,487,496,505,515,542,549,564,613,686,696,704,750,776,783,792,800,820,841,850,893,898,948,952,954,968,994 +0412_00015 15,20,36,49,55,89,134,210,220,221,224,237,254,255,282,286,292,347,389,416,419,461,470,473,474,504,508,513,549,670,671,727,741,748,772,781,788,830,855,862,883,948,968,982,985 +0412_00016 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0412_00017 13,31,41,75,126,134,199,220,256,260,347,367,388,404,449,465,487,515,518,549,550,564,684,812,815,820,878,892,893,898,915,941,948,954,968,1015 +0412_00018 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0412_00019 3,15,18,23,42,46,47,72,89,100,110,116,129,134,139,144,146,153,154,159,165,167,171,174,195,200,202,203,211,215,216,237,239,244,245,254,257,260,279,283,299,300,318,320,325,329,335,345,347,361,382,383,403,409,414,420,423,461,467,486,493,495,504,508,534,540,549,566,568,573,575,577,621,634,651,659,663,670,691,696,707,730,734,755,760,767,772,773,787,797,827,864,871,875,887,890,901,904,911,948,964,968,974,979,990,994,995,1008,1013 +0412_00020 4,15,20,34,42,44,45,55,57,62,66,89,93,123,134,153,180,186,189,192,195,237,245,252,259,294,300,323,335,347,418,471,475,496,497,500,505,508,530,540,597,626,640,662,708,722,772,773,789,874,915,916,925,927,929,930,948,981,985,994 +0412_00021 96,105,134,144,145,181,207,245,246,249,260,319,329,335,343,347,356,387,390,395,405,421,459,487,488,524,526,550,561,569,626,655,659,665,684,687,732,759,812,852,881,936,942,948,968,977,979,987,1011 +0412_00022 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0412_00023 4,6,9,15,20,40,42,49,58,89,115,134,151,173,189,193,245,328,347,351,422,445,454,456,461,477,508,515,526,532,534,539,540,547,549,550,564,573,631,636,640,654,691,695,705,708,711,720,728,747,749,762,773,778,834,852,868,878,882,893,908,938,948,967,968,978,980,983,985,1012,1017 +0412_00024 20,62,94,134,151,153,154,194,220,240,256,295,310,322,340,347,381,405,411,429,437,442,449,471,505,508,513,524,544,564,611,615,629,642,645,663,666,710,722,727,756,763,764,782,808,820,821,823,878,889,897,898,948,954,964,968,984,994,1008 +0412_00025 18,43,69,153,189,256,340,347,363,411,420,442,473,505,649,708,763,795,812,820,842,867,915,943,948,954,994,1008,1022 +0412_00026 57,110,153,203,207,254,347,360,378,396,411,452,505,508,630,637,763,788,790,802,915,944,948,954,994,1023 +0412_00027 15,20,43,89,153,155,210,221,237,265,343,348,349,439,452,473,474,508,539,670,684,727,738,763,772,788,838,852,883,904,915,948,994,1024 +0412_00028 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0412_00029 1,12,15,20,26,39,42,62,87,134,144,153,198,237,300,307,326,345,347,381,391,408,413,415,430,443,461,462,487,497,498,499,508,520,539,544,550,556,670,705,719,727,751,759,762,770,778,781,785,806,812,824,825,826,839,861,865,873,915,936,946,948,963,968,973,994,1012,1016 +0412_00030 15,20,26,33,35,89,124,134,143,153,175,194,223,225,237,245,252,327,347,392,401,442,465,469,478,499,500,508,524,531,544,559,603,656,658,663,676,727,762,771,848,850,852,890,948,957,970,983,1022 +0412_00031 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0412_00032 16,33,134,153,201,220,224,230,247,256,260,311,347,375,405,407,411,429,442,449,505,515,564,613,616,625,626,670,686,726,740,750,763,795,808,820,852,910,922,948,954,968,970,988,994 +0412_00033 15,20,34,42,43,44,55,62,80,89,91,93,134,146,153,160,186,189,192,195,207,245,259,274,323,347,360,418,496,497,505,508,530,540,546,582,594,597,626,640,707,708,758,776,802,816,834,874,903,915,916,925,940,948,968,994,1002 +0412_00034 15,20,26,34,35,44,58,78,89,103,130,131,134,140,152,153,175,217,220,245,254,255,273,347,357,370,373,401,445,456,487,499,508,527,531,534,540,636,663,689,714,727,762,774,801,818,850,908,939,946,948,949,962 +0412_00035 153,256,304,343,347,382,411,442,505,649,659,679,763,789,795,820,842,915,948,954,994,1022 +0412_00036 15,18,62,86,111,128,134,153,168,217,265,283,290,340,345,346,347,430,432,445,461,468,515,539,606,622,642,719,725,744,753,754,776,778,786,826,867,874,910,938,948,968,973,994,1000,1002,1012 +0412_00037 1,12,15,20,26,42,62,87,134,144,151,152,153,160,194,198,237,238,261,326,347,381,408,413,433,461,462,487,497,498,499,502,508,520,539,550,562,670,705,719,727,751,759,770,778,781,785,806,812,824,825,826,839,844,861,873,915,933,946,948,963,968,973,994,1012 +0412_00038 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0412_00039 14,15,20,26,34,57,73,91,134,144,153,220,222,237,240,245,284,316,347,367,426,443,451,461,508,515,520,634,640,652,656,659,674,681,683,685,686,687,718,720,727,767,777,781,784,814,815,841,866,924,939,948,963,968,977,993,994 +0412_00040 5,14,15,67,89,98,116,120,134,137,144,153,172,199,201,213,214,220,237,240,260,264,268,347,402,414,415,451,473,493,494,504,508,512,525,550,656,667,687,694,749,762,772,780,812,831,844,863,909,927,930,938,948,968,977,994,1009 +0412_00041 62,73,75,134,140,153,155,174,197,220,256,260,347,353,363,411,442,449,468,471,498,505,550,558,577,636,653,763,795,812,820,842,851,867,891,915,948,954,968,994,1015 +0412_00042 20,38,96,109,134,144,145,161,206,207,256,260,268,278,286,326,347,421,461,483,487,502,511,515,516,530,550,575,589,605,657,671,714,722,779,802,820,824,866,867,871,877,883,948,968,977,983,1004,1019 +0412_00043 20,26,38,63,89,96,109,134,145,146,161,167,207,215,256,260,274,287,297,321,347,396,401,420,421,452,487,497,499,508,511,515,544,550,555,575,647,686,689,717,726,727,747,781,795,804,807,808,815,835,871,892,909,948,965,968,969 +0412_00044 15,20,26,34,35,43,44,58,80,89,90,103,131,134,153,175,207,220,245,254,270,312,347,349,373,401,417,452,491,499,508,514,527,531,533,534,540,627,636,656,663,680,689,714,727,762,774,801,818,820,850,872,939,946,948,949,952,968,1003 +0412_00045 58,95,134,138,153,159,193,207,220,254,262,304,305,330,367,392,417,453,502,508,515,516,536,564,617,621,636,644,657,738,790,819,848,937,948,953,968,989,994,995,1014,1023 +0412_00046 20,38,96,109,115,134,144,145,151,153,209,220,223,225,259,260,270,281,295,296,310,321,326,342,343,347,373,377,392,394,405,421,451,487,508,510,511,524,527,550,561,575,595,623,628,635,642,674,686,725,727,729,753,767,776,777,796,823,836,850,863,871,872,897,915,925,944,948,956,968,977,987,1014 +0412_00047 38,51,54,63,77,96,106,109,130,134,144,145,153,161,191,214,256,260,270,274,304,347,349,350,358,361,403,421,459,482,486,487,505,511,515,526,548,550,575,588,626,668,692,725,750,776,781,800,807,812,863,871,896,907,934,948,968,977,994 +0412_00048 1,19,34,96,98,114,134,144,153,155,178,183,209,214,270,274,281,295,347,360,365,366,388,405,430,486,487,493,494,504,550,580,612,616,661,718,725,742,771,780,781,786,791,800,831,842,863,908,914,948,960,968,974,977,1012 +0412_00049 2,15,16,17,20,23,24,25,26,30,36,42,44,51,54,86,89,110,134,139,140,144,146,153,163,174,176,198,200,207,211,220,223,230,236,238,242,243,245,254,260,268,274,275,280,295,308,313,318,325,345,347,352,359,371,382,425,426,437,444,452,459,461,467,473,480,485,492,494,508,516,526,534,536,549,551,552,557,562,569,572,574,601,606,609,626,641,653,655,667,673,704,707,713,762,767,771,782,785,786,791,795,798,802,805,810,812,819,829,834,845,855,856,858,884,885,889,906,914,917,921,925,928,936,945,948,952,954,962,964,968,973,974,994,997,998,1008 +0412_00050 52,57,119,134,220,249,260,343,347,449,508,522,542,550,616,636,686,699,766,812,903,948,954,968,994 +0412_00051 14,20,65,144,190,243,259,292,347,451,494,508,516,543,550,570,579,598,631,645,649,727,761,787,850,863,913,931,948,970,977,998,1014 +0412_00052 14,20,35,55,61,167,207,243,259,311,347,451,472,484,494,508,516,536,539,548,570,645,727,754,762,787,802,837,838,948,957,970,998 +0412_00053 20,52,62,144,153,240,245,270,287,347,360,413,430,508,513,516,544,557,592,643,655,670,727,739,761,778,830,844,847,872,893,948,970,994 +0412_00054 9,134,220,245,293,398,461,508,513,662,693,766,830,948,968,1016 +0412_00055 20,55,61,115,144,242,243,259,347,395,471,497,508,516,521,568,570,599,617,620,645,654,670,727,781,787,915,948,957,970,996,998,1015 +0412_00056 14,21,57,58,153,157,206,248,262,306,325,347,363,442,451,487,508,549,562,565,621,713,743,753,778,789,915,948,954,994 +0412_00057 20,55,61,111,112,243,259,323,347,508,516,570,604,617,645,655,698,727,762,777,787,915,948,957,970,998,1015 +0412_00058 22,45,57,87,130,146,153,155,162,206,236,325,347,363,442,487,508,512,547,549,565,626,713,789,793,915,948,954,994 +0412_00059 14,20,55,61,106,117,144,153,172,183,243,259,290,347,396,416,451,461,494,508,516,540,570,645,703,727,787,826,879,948,957,970,977,982,998 +0412_00060 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0412_00061 96,134,139,145,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0412_00062 20,30,57,146,153,347,362,365,412,486,487,508,510,516,549,555,570,574,614,727,762,775,832,850,928,948,954,994,995,998,1022 +0412_00063 4,7,20,30,57,144,175,266,347,365,392,412,486,487,508,510,549,574,599,646,670,675,727,762,775,832,850,948,954,994,995 +0412_00064 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0412_00065 95,96,134,145,153,256,297,313,332,347,411,421,442,447,468,487,489,505,550,577,635,644,749,763,820,856,868,913,915,948,954,968,994 +0412_00066 20,55,61,68,117,144,146,153,197,236,243,259,288,347,508,516,540,570,571,613,645,684,703,727,764,787,826,854,948,957,970,977,982,997,998 +0412_00067 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0412_00068 20,70,131,134,146,197,220,236,243,260,288,347,367,441,465,466,508,515,516,520,570,624,727,745,775,848,899,948,963,968,970,998,1007,1011 +0412_00069 20,32,43,53,63,75,96,134,146,153,155,162,181,236,243,347,380,408,487,498,508,516,520,550,568,570,648,696,705,719,727,793,830,835,893,937,945,948,958,968,970,994,998,1011 +0412_00070 14,20,32,43,75,96,134,153,157,181,243,245,251,286,347,373,380,408,451,487,508,516,520,522,550,562,570,594,621,650,652,696,705,719,727,835,945,948,968,970,994,998,1008,1011 +0412_00071 14,20,27,70,134,220,236,243,260,288,347,367,441,451,465,466,469,494,508,515,516,520,570,625,727,775,778,792,814,941,948,968,970,998,1011 +0412_00072 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0412_00073 20,39,57,63,128,153,206,207,268,325,333,347,363,379,442,485,487,497,499,508,516,549,565,570,713,727,789,802,847,866,896,915,917,940,948,954,998,1008 +0412_00074 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0412_00075 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0412_00076 12,144,150,153,172,256,338,347,382,407,411,442,505,649,659,679,690,731,763,795,820,842,915,948,954,977,993,994,1022 +0412_00077 20,37,144,146,190,197,236,243,259,317,347,474,492,508,516,543,550,570,598,631,645,652,727,787,850,884,948,970,971,977,998,1014 +0412_00078 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0412_00079 10,13,20,39,62,70,76,94,107,129,134,141,145,148,153,180,183,184,192,206,207,225,231,262,277,282,290,297,347,362,390,399,410,434,436,445,467,478,480,481,483,490,493,495,497,508,511,517,529,552,556,577,579,586,596,625,626,640,644,724,727,766,773,775,778,779,802,826,832,833,948,963,994,1015,1017 +0412_00080 20,30,57,194,300,347,365,412,482,486,487,508,510,549,574,652,727,733,737,762,775,832,850,930,948,954,975,994,995 +0412_00081 4,9,13,15,42,52,55,74,82,89,93,95,134,145,151,180,193,245,268,298,347,384,413,422,442,457,461,490,508,515,534,549,571,575,576,578,598,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,833,858,859,927,937,941,948,964,968,973,1005,1011,1012,1013,1022 +0412_00082 20,37,73,74,109,129,134,141,144,163,165,243,259,260,277,288,330,347,395,456,466,487,490,508,515,516,520,550,570,663,670,685,727,732,781,850,863,868,948,959,961,968,970,998,1011 +0412_00083 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0412_00084 20,31,53,68,87,96,102,127,134,137,151,153,165,181,188,207,211,241,243,256,294,295,297,347,395,408,411,449,461,487,494,497,502,505,508,516,524,550,596,627,639,705,727,763,771,802,820,826,916,948,954,968,994,1018 +0412_00085 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0412_00086 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0412_00087 4,6,13,15,42,52,74,86,89,93,95,119,134,145,148,151,180,193,234,245,268,298,303,318,347,384,394,422,442,461,471,490,508,515,534,542,544,549,556,571,576,578,648,656,681,683,700,705,748,778,786,813,833,858,859,877,886,906,941,948,968,973,1005,1011,1012,1013,1022 +0412_00088 13,15,20,52,134,153,170,175,182,193,220,223,245,261,298,347,367,413,461,480,487,497,508,524,532,539,549,550,575,613,627,641,657,670,679,717,727,758,778,781,798,898,948,968,1001,1008,1012,1018 +0412_00089 20,66,68,74,76,84,108,134,144,146,182,197,198,199,211,227,236,255,272,278,295,327,347,351,386,389,405,461,476,487,508,515,516,531,541,549,550,553,580,585,599,605,613,633,634,647,670,686,721,725,727,772,774,778,805,822,850,939,948,968,992,1017 +0412_00090 20,115,143,144,153,186,220,256,263,278,292,347,376,413,442,455,487,508,533,549,594,670,727,748,768,795,820,850,915,948,954,964,979 +0412_00091 57,76,134,138,180,242,249,260,347,385,417,449,453,487,508,510,549,550,636,637,657,699,771,792,812,942,948,954,968,989,994,1013 +0412_00092 20,49,50,52,74,84,90,96,108,122,134,146,153,181,188,221,236,257,278,280,347,385,405,408,430,439,461,464,476,487,505,508,516,531,549,550,553,613,645,671,679,692,705,727,743,772,778,800,822,833,847,873,916,918,926,947,948,953,968,992 +0412_00093 13,17,20,55,61,115,117,144,153,208,243,259,347,494,508,516,519,540,570,645,703,727,787,789,826,881,915,948,957,970,977,982,998,1015 +0412_00094 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0412_00095 4,9,13,15,42,44,46,55,74,82,89,93,95,134,193,245,252,298,347,392,404,413,422,442,457,461,508,515,522,534,549,575,576,578,586,598,630,637,656,681,683,686,700,705,748,772,778,781,782,786,796,813,858,863,927,937,941,948,964,968,987,1005,1011,1022 +0412_00096 20,44,93,96,134,142,278,300,329,347,390,414,446,462,467,482,487,508,516,530,541,549,550,560,689,698,722,727,789,820,948,968,970 +0412_00097 13,20,28,49,50,65,74,84,108,134,146,151,178,189,202,206,220,236,257,272,277,278,300,347,400,405,446,452,461,472,508,516,525,531,549,553,567,570,613,671,684,687,701,710,727,762,772,773,778,822,840,845,916,941,948,968,992 +0412_00098 2,7,15,20,26,49,89,134,146,153,158,167,206,207,212,220,221,226,283,317,347,348,371,374,393,413,418,420,461,476,492,499,508,511,526,544,556,563,606,612,626,636,640,719,727,744,748,762,767,794,795,802,819,825,832,834,860,871,880,883,885,886,919,936,948,953,959,968,974,985,989,1003 +0412_00099 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0412_00100 15,20,26,42,43,95,134,198,243,279,313,347,380,404,408,461,487,492,499,506,508,516,520,539,550,570,605,606,649,696,705,727,769,781,782,881,948,963,968,970,974,987,998,1011 +0412_00101 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0412_00102 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0412_00103 20,28,31,49,50,65,68,74,84,90,96,108,134,146,151,168,188,189,211,220,221,236,257,272,278,300,347,380,405,461,487,505,508,516,531,549,550,553,567,568,599,604,613,671,684,687,727,772,778,822,832,840,868,873,887,916,918,941,948,968,992 +0412_00104 4,13,15,42,44,46,74,89,93,95,114,119,134,193,226,234,238,245,252,318,347,392,404,422,425,435,442,443,461,471,485,508,515,516,522,534,549,576,578,586,630,656,681,683,700,704,705,747,748,778,786,813,858,863,877,941,948,968,987,999,1001,1005,1011,1022 +0412_00105 13,14,21,53,57,62,63,64,101,127,134,152,153,207,220,260,266,297,347,367,383,411,433,446,449,451,465,469,494,505,508,512,515,516,544,550,561,570,726,763,802,804,812,948,954,968,994,1002 +0412_00106 43,65,69,153,256,325,333,341,347,382,411,420,442,505,649,659,679,763,795,820,842,915,948,954,994,1022 +0412_00107 13,21,53,57,64,111,127,134,146,148,153,197,207,220,236,260,276,297,321,347,367,383,407,411,433,446,449,465,505,508,515,516,544,550,570,678,726,742,745,763,802,812,873,948,954,968,994,995,1002 +0412_00108 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0412_00109 20,58,78,96,134,139,145,207,278,347,381,421,487,497,502,508,516,530,549,550,596,659,673,715,723,727,802,848,908,948,968,970 +0412_00110 28,33,53,75,134,193,207,336,399,405,407,516,520,531,563,580,613,615,702,712,735,802,848,886,915,917,918,925,948,953,998,1015 +0412_00111 14,28,58,75,134,153,292,399,405,435,468,516,531,580,600,613,615,654,915,917,918,948,953,994,1000,1015 +0412_00112 15,29,51,89,99,117,134,144,174,210,237,245,258,266,310,327,367,405,445,465,473,508,509,524,570,585,615,670,671,686,725,729,744,761,772,788,836,940,948,957,1012,1024 +0412_00113 20,55,58,97,128,129,153,245,259,270,347,399,410,420,450,492,508,516,517,541,549,596,637,727,772,791,800,835,837,838,902,909,948,954,994,1017 +0412_00114 43,57,69,113,153,189,206,325,347,363,420,442,473,487,508,549,565,708,713,789,847,915,943,948,954,994,1008 +0412_00115 4,15,20,21,26,31,35,37,54,61,89,103,119,123,129,139,175,176,188,203,204,212,217,230,261,271,282,300,302,315,346,347,349,354,366,367,374,379,380,389,390,408,410,420,429,449,461,471,490,499,508,532,539,540,549,567,574,586,613,614,623,624,625,626,634,635,647,656,657,663,669,681,692,702,719,727,729,736,741,749,762,779,782,785,795,812,819,822,839,843,850,855,856,886,889,907,919,930,936,938,948,958,964,968,974,982,989,997,1007,1009,1014 +0412_00116 17,20,25,66,74,76,84,108,134,146,153,182,188,190,198,199,217,236,278,281,295,305,314,347,351,405,461,476,487,508,515,516,531,541,549,550,553,580,585,605,613,624,634,647,658,669,686,699,721,725,727,772,778,793,822,850,873,904,948,968,992,994 +0412_00117 15,59,96,134,135,145,153,185,207,229,256,260,310,339,347,374,411,420,421,435,449,468,480,481,487,505,550,575,592,616,636,763,769,812,820,835,901,909,932,948,954,968,987,994 +0412_00118 20,23,32,43,69,75,96,134,153,155,181,222,243,347,380,408,420,487,490,508,516,520,545,550,570,593,696,705,719,727,742,835,868,915,945,948,968,970,994,998,1011 +0412_00119 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0412_00120 15,57,88,110,134,153,175,177,187,207,245,252,254,299,310,347,360,378,403,411,453,465,505,508,524,529,570,623,634,637,763,773,791,802,809,915,925,948,954,994,1020 +0412_00121 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0412_00122 20,47,55,72,111,112,144,237,259,273,300,307,323,347,458,508,604,617,620,645,670,698,727,762,770,825,873,915,948,1015,1024 +0412_00123 22,45,87,130,146,153,155,162,236,256,340,347,363,411,442,505,508,547,649,673,684,763,793,795,820,842,867,915,948,954,994,1022 +0412_00124 13,14,153,157,248,256,262,306,340,347,363,411,442,451,505,508,562,621,649,743,753,763,778,795,820,842,867,915,948,954,982,994,1022 +0412_00125 43,69,153,189,220,256,342,347,363,397,420,442,473,487,549,708,748,795,812,820,867,915,943,948,954,994,1008 +0412_00126 20,29,31,53,68,96,102,114,127,134,147,151,165,181,188,207,211,241,243,256,294,295,297,304,347,387,395,408,449,487,494,497,502,508,516,524,549,550,596,705,727,802,820,826,916,948,954,968,1018 +0412_00127 26,32,49,63,100,107,134,153,185,209,220,251,260,347,358,397,445,447,459,499,505,511,515,522,550,559,582,602,649,651,654,662,689,695,710,742,750,797,800,812,948,968,993,994 +0412_00128 20,31,68,96,102,134,151,164,165,181,188,207,211,256,294,295,347,395,408,440,449,461,463,481,487,497,502,508,524,544,549,550,596,705,727,802,820,826,910,948,954,955,968,1018 +0412_00129 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0412_00130 13,20,52,60,70,134,153,177,182,207,220,261,300,338,347,354,367,413,450,480,487,508,549,550,670,717,727,733,773,778,781,802,827,832,863,895,896,898,907,948,949,968,1001 +0412_00131 105,133,134,144,158,192,193,220,259,330,367,391,454,460,515,542,550,602,608,659,670,686,732,796,802,819,850,888,948,968,1023 +0412_00132 14,116,134,153,199,205,256,260,347,364,411,429,442,449,451,469,494,505,508,517,550,564,636,687,708,763,808,812,820,824,840,878,948,954,968,994,1023 +0412_00133 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0412_00134 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0412_00135 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0412_00136 7,134,154,216,217,220,225,245,298,306,354,379,403,405,425,494,508,515,521,523,542,550,613,622,640,686,773,802,874,905,948,956,958,968,1005 +0412_00137 116,134,138,153,180,199,242,256,260,347,364,385,411,417,429,442,449,453,505,508,550,564,636,637,657,687,763,771,792,808,812,820,942,948,954,968,989,994 +0412_00138 20,52,79,80,97,130,134,138,142,153,173,207,220,242,254,261,304,326,327,331,338,347,349,412,417,453,497,502,508,515,520,596,637,657,713,727,744,797,802,808,812,819,860,876,892,948,968,989,994,1023 +0412_00139 5,8,71,77,95,134,138,144,153,160,193,207,214,254,304,363,375,417,428,453,502,504,508,515,516,657,672,802,819,831,835,883,920,948,968,977,989,994 +0412_00140 20,26,74,78,96,109,134,139,145,153,184,230,260,278,321,347,381,410,421,434,466,487,505,508,515,516,520,530,544,550,611,659,663,673,723,727,781,821,830,840,866,905,913,915,926,948,961,968,970,994 +0412_00141 20,26,74,109,134,181,184,220,230,260,278,296,300,347,373,381,410,466,482,487,508,515,516,520,522,530,541,549,550,611,626,673,686,727,771,781,802,821,840,905,911,915,926,948,961,968,970,999,1022 +0412_00142 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0412_00143 15,88,111,131,134,144,153,175,207,214,232,237,270,281,297,413,444,454,493,504,524,550,558,606,646,647,764,773,780,788,802,831,863,934,948,954,968,974,977,985,989,994,1000 +0412_00144 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0412_00145 2,15,20,26,30,49,75,89,134,146,153,158,167,207,212,220,221,243,283,317,329,347,348,371,393,396,406,413,418,420,461,476,492,499,508,511,526,544,556,557,563,566,569,612,626,636,640,662,719,727,748,762,767,794,795,802,819,825,834,851,860,871,880,883,885,886,936,948,953,959,968,974,982,989,1003 +0412_00146 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0412_00147 15,89,106,108,111,131,134,144,153,194,207,214,226,232,255,260,270,279,281,381,398,413,415,444,456,461,493,504,518,524,550,558,726,764,773,780,802,831,863,880,934,948,968,974,977,985,989,994,1000 +0412_00148 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0412_00149 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0412_00150 13,20,60,76,119,134,182,207,210,220,253,261,265,300,332,338,347,367,389,406,407,461,480,485,487,508,525,529,549,550,552,589,595,607,654,670,717,727,781,802,807,832,863,896,898,906,948,968 +0412_00151 86,96,134,153,180,210,220,226,245,256,272,344,347,371,390,433,442,448,487,508,524,549,550,603,609,654,658,714,748,795,801,817,820,915,948,954,968,969 +0412_00152 15,26,59,66,68,84,89,134,142,146,153,197,199,231,236,247,260,262,265,304,312,316,347,422,461,473,499,500,505,508,515,516,517,534,539,540,550,562,568,627,678,738,786,812,859,917,948,968,994 +0412_00153 20,70,134,193,207,220,243,260,288,347,360,403,452,466,501,508,515,516,520,570,604,614,644,647,686,695,727,775,779,802,814,870,948,968,970,998,1011 +0412_00154 15,26,32,55,60,62,89,91,120,130,134,144,153,209,212,222,232,254,328,347,350,431,456,461,509,534,544,568,620,652,670,704,711,762,768,772,812,817,829,844,852,908,916,948,977,987,994,1000,1019 +0412_00155 20,96,134,139,145,220,260,381,405,421,451,487,515,516,530,531,550,613,643,648,722,824,880,907,910,916,948,968,971,988,1003,1013 +0412_00156 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0412_00157 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0412_00158 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0412_00159 2,4,15,26,36,39,73,78,89,108,134,139,153,167,212,220,245,270,326,440,450,461,483,499,508,515,538,573,580,626,635,649,689,706,729,750,767,799,819,825,828,835,860,911,922,936,948,968,974,1007,1016 +0412_00160 59,96,134,138,145,153,180,185,207,242,256,260,310,339,347,374,385,411,417,421,449,453,468,480,487,505,508,550,592,616,636,637,657,763,769,771,792,812,820,901,942,948,954,968,987,989,994 +0412_00161 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0412_00162 20,49,134,154,207,220,230,241,276,295,300,330,343,347,350,490,497,502,508,516,522,542,550,559,580,593,596,600,638,647,654,686,715,727,739,742,760,781,802,850,917,922,948,968,970 +0412_00163 23,47,96,118,134,145,153,168,194,216,256,310,319,340,347,405,411,421,422,429,442,446,449,487,500,505,524,542,550,564,572,605,666,734,763,808,820,838,936,943,948,953,954,968,984,994,1005,1011 +0412_00164 7,20,100,115,143,144,153,186,235,244,256,347,411,413,442,505,508,544,612,628,649,663,670,680,727,737,745,748,763,795,820,825,842,915,948,954,992,994,1021,1022 +0412_00165 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0412_00166 1,15,17,38,89,99,103,132,134,170,182,217,237,245,260,289,301,302,309,325,353,368,393,394,446,452,461,508,515,529,534,566,626,630,634,640,656,661,668,676,679,683,723,762,772,861,876,880,890,927,947,948,968,985,987,1009,1017,1022,1024 +0412_00167 59,69,74,86,96,134,135,146,153,245,256,257,272,284,314,329,330,345,347,405,411,422,433,442,487,500,505,508,524,550,592,596,603,609,633,649,654,665,714,718,746,763,795,820,842,872,915,917,948,954,968,984,994,1022 +0412_00168 57,62,153,197,252,303,334,347,363,368,396,411,442,471,505,508,537,707,763,788,915,948,954,994 +0412_00169 99,134,138,180,199,242,256,260,347,385,417,449,453,487,508,549,550,564,636,637,657,684,687,771,792,812,820,893,898,942,948,954,968,989 +0412_00170 20,62,91,96,114,134,144,145,153,168,207,243,270,330,360,372,421,481,487,508,550,588,591,662,670,674,682,727,731,802,863,937,948,968,977,982 +0412_00171 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0412_00172 20,53,61,63,114,134,144,153,220,245,270,281,282,297,306,336,337,374,389,420,458,508,514,515,516,528,550,565,635,670,686,727,748,776,777,783,803,810,814,828,849,874,878,897,912,938,948,968,977,994 +0412_00173 66,96,97,113,131,134,139,145,165,195,220,227,260,374,381,401,405,418,421,451,487,515,516,530,531,550,572,613,648,788,824,871,878,880,907,909,916,948,955,968,971,988,1003,1013 diff --git a/processed_data/0412/0412_fingerprints_maccs_canonical_success.tsv b/processed_data/0412/0412_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..b5aeeb67c --- /dev/null +++ b/processed_data/0412/0412_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,174 @@ +id bits.on +0412_00001 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00002 52,69,74,86,90,92,93,94,95,104,108,110,111,117,122,123,124,131,132,136,139,142,146,147,148,149,151,154,155,156,157,158,159,160,161,164 +0412_00003 29,47,67,69,81,84,88,93,94,102,106,112,117,124,126,130,148,149,151,156,157,159,160,161,164 +0412_00004 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0412_00005 29,48,67,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,136,140,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00006 29,67,73,81,88,93,102,106,109,112,114,123,124,126,130,140,141,146,148,149,153,154,155,157,159,160,162,163,164,165 +0412_00007 29,48,67,73,81,88,89,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0412_00008 24,71,78,89,93,94,95,102,108,109,113,119,123,124,125,126,127,140,141,143,144,145,146,149,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0412_00009 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,141,147,148,149,153,154,155,156,158,160,161,164 +0412_00010 23,52,57,62,66,69,72,75,83,89,92,94,95,96,97,106,110,112,113,117,120,121,122,123,124,125,126,127,133,135,136,137,140,142,143,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00011 22,34,50,66,74,76,89,93,96,99,108,112,116,123,126,127,128,129,132,136,140,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00012 29,48,65,67,73,79,81,88,92,95,97,98,102,105,106,109,110,112,113,114,117,120,121,124,125,126,127,128,130,137,138,142,143,145,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00013 85,92,93,95,108,110,111,117,122,123,125,126,132,133,135,136,141,144,145,146,148,149,150,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00014 29,38,48,65,67,73,77,80,81,88,89,92,93,97,98,102,106,109,110,111,112,113,114,117,120,121,124,126,127,130,137,140,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00015 13,24,57,71,72,83,89,92,93,94,96,97,102,108,110,111,117,118,122,124,126,129,133,137,141,144,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00016 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00017 29,48,59,64,67,73,81,88,93,102,106,112,113,124,126,127,130,141,143,144,146,148,149,150,152,157,159,160,162,163,164,165 +0412_00018 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0412_00019 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0412_00020 24,36,50,62,71,76,78,86,88,89,91,94,97,98,99,102,104,109,111,114,115,118,119,124,126,127,128,129,132,137,138,139,143,145,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0412_00021 52,62,65,66,72,74,75,77,79,80,83,92,94,95,96,97,110,112,113,117,120,121,122,124,125,126,127,137,139,141,142,143,145,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00022 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00023 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0412_00024 29,38,48,52,65,67,73,77,79,80,81,83,88,92,94,95,96,97,98,102,105,106,109,110,112,113,114,117,120,121,122,123,124,126,127,128,130,137,138,140,141,142,143,144,146,148,149,150,153,154,155,156,157,159,160,161,162,163,164,165 +0412_00025 29,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00026 29,67,81,88,102,106,109,112,114,115,124,126,130,141,148,149,153,155,157,159,160,164 +0412_00027 47,81,85,88,100,106,108,110,111,114,117,118,122,128,129,133,138,147,148,149,153,154,155,156,158,160,161,163,164,165 +0412_00028 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0412_00029 23,33,57,58,66,67,72,74,77,81,83,88,93,94,96,97,105,106,108,109,110,112,113,114,115,116,117,118,122,123,124,126,127,130,132,136,137,140,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00030 22,26,28,50,66,74,75,76,83,85,89,92,96,97,99,100,105,109,110,112,117,118,121,122,123,126,127,128,129,136,137,140,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,163,164,165 +0412_00031 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0412_00032 25,29,48,65,67,73,77,80,81,85,86,88,92,97,98,100,102,106,109,110,112,113,114,116,117,120,121,122,124,126,127,128,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00033 24,50,71,76,78,81,88,89,91,94,97,99,102,104,108,109,111,114,115,116,119,124,126,127,128,129,132,138,139,141,143,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0412_00034 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00035 28,29,67,73,81,88,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0412_00036 28,57,72,83,86,96,105,109,113,114,115,116,118,120,123,126,128,129,132,137,138,140,144,146,147,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00037 23,33,57,58,66,67,72,74,77,81,83,86,88,93,94,96,97,100,105,106,108,110,111,112,113,114,115,116,117,118,122,123,124,126,127,128,129,130,132,137,138,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00038 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0412_00039 50,57,62,66,72,74,76,83,89,96,99,105,112,115,118,123,126,127,132,136,137,140,141,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0412_00040 17,39,40,48,55,58,60,61,66,67,72,73,74,88,102,106,109,112,113,118,124,126,127,129,130,132,140,141,143,145,146,147,148,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00041 29,59,64,67,73,81,88,93,102,106,109,112,113,114,115,124,126,127,128,130,138,141,143,147,148,149,152,153,155,157,159,160,162,163,164,165 +0412_00042 43,47,66,73,74,77,81,88,106,112,113,125,126,127,131,133,135,141,142,143,144,145,149,150,151,152,156,157,158,160,161,162,163,164,165 +0412_00043 22,41,66,74,95,112,113,123,125,126,127,141,143,145,146,149,150,152,154,157,159,160,161,162,163,164,165 +0412_00044 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00045 24,49,56,63,70,71,79,80,94,97,102,104,111,114,116,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0412_00046 24,52,65,66,71,74,75,78,80,83,92,93,94,95,96,97,102,109,110,111,112,113,117,119,120,121,122,123,124,125,126,127,130,137,140,141,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00047 66,74,86,108,109,112,113,114,115,125,126,127,138,141,143,145,146,149,152,153,155,157,159,160,162,163,164,165 +0412_00048 65,66,74,77,80,92,97,98,105,109,110,112,113,117,120,121,125,126,127,132,137,141,142,143,145,147,149,153,155,156,157,160,161,162,163,164,165 +0412_00049 26,50,53,57,66,72,76,83,89,90,91,93,95,96,98,99,105,108,109,112,114,115,116,120,123,126,127,128,131,132,133,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0412_00050 29,48,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0412_00051 23,24,51,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00052 23,24,51,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00053 23,74,80,82,85,86,90,91,93,100,104,106,108,109,110,111,114,115,116,117,118,122,123,126,128,132,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00054 57,65,69,71,72,83,89,92,94,96,97,102,110,113,117,120,121,124,127,137,143,151,152,154,156,159,160,161,162,164,165 +0412_00055 23,24,47,71,74,78,79,81,85,86,88,89,92,93,94,95,97,102,106,110,117,119,122,123,124,126,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00056 29,48,51,60,61,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00057 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00058 29,48,51,55,58,60,61,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00059 23,24,51,60,61,66,67,71,73,74,78,79,86,88,93,94,95,97,102,106,110,111,112,115,116,117,119,123,124,126,130,132,136,141,142,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00060 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00061 125,133,135,145,151,156,158,161,162,163,165 +0412_00062 29,48,76,89,92,93,97,99,102,106,110,112,117,124,126,130,136,140,141,146,148,149,151,152,154,156,157,158,159,160,161,164 +0412_00063 29,48,74,76,85,86,89,92,93,97,99,102,106,110,112,117,122,124,126,130,136,140,141,146,148,149,152,154,156,157,158,159,160,161,164 +0412_00064 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00065 29,59,64,67,73,81,88,102,106,108,109,112,114,124,126,129,130,132,138,148,149,153,155,157,160,162,163,164,165 +0412_00066 23,24,51,55,58,60,61,66,67,71,73,74,78,79,86,88,93,94,95,97,102,106,110,111,112,115,116,117,119,123,124,126,130,132,136,140,141,142,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00067 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0412_00068 23,51,55,58,59,60,61,64,67,73,81,88,93,102,106,110,112,113,117,123,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00069 23,51,55,58,60,61,67,73,86,88,93,102,106,110,112,113,114,116,117,123,124,126,127,130,132,136,138,140,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00070 23,51,60,61,67,73,86,88,93,102,106,110,113,114,116,117,123,124,126,127,132,136,138,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00071 23,51,59,60,61,64,67,73,81,88,93,102,106,110,113,117,123,124,126,127,136,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00072 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00073 29,48,67,81,88,91,92,93,102,106,108,110,112,116,117,124,126,130,136,138,140,141,146,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00074 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00075 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0412_00076 28,29,66,67,73,74,81,88,102,106,109,112,114,116,124,126,128,130,138,141,148,149,153,155,157,159,160,164 +0412_00077 23,24,51,55,58,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00078 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00079 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0412_00080 29,48,76,89,93,99,102,106,112,123,124,126,130,136,140,141,146,148,149,152,154,157,159,160,164 +0412_00081 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00082 23,74,77,78,85,86,93,97,106,110,113,117,119,122,123,126,127,133,135,141,142,143,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00083 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0412_00084 29,47,67,69,73,74,81,88,89,90,94,102,106,109,112,113,114,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00085 23,24,66,71,74,78,79,81,88,93,94,95,102,106,110,112,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00086 23,24,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00087 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00088 23,52,57,72,75,83,86,92,93,94,95,96,97,100,106,109,110,111,115,117,120,121,122,123,124,126,127,128,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00089 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,74,77,79,80,81,85,86,88,89,92,93,94,95,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00090 29,67,73,81,85,88,89,92,93,102,106,108,110,111,112,116,117,122,124,126,130,132,136,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0412_00091 24,29,48,49,56,63,70,71,93,94,102,106,112,113,119,122,124,126,127,130,133,135,136,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00092 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,86,88,89,93,94,97,98,102,106,109,110,112,113,115,116,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00093 23,24,66,71,74,78,79,86,88,93,94,95,102,106,110,111,112,115,116,117,119,123,124,126,141,142,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00094 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0412_00095 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00096 23,43,47,54,73,77,79,81,88,93,97,106,110,117,123,126,131,133,135,136,140,142,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00097 25,32,33,36,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,83,88,89,93,94,96,97,98,102,106,110,112,113,117,120,121,123,124,126,127,130,131,133,135,136,137,140,141,142,143,144,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00098 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00099 23,72,74,93,106,110,113,117,123,126,127,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00100 23,57,72,74,83,89,93,96,105,106,110,112,113,117,120,123,126,127,137,140,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00101 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00102 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0412_00103 25,32,33,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,113,117,120,121,123,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00104 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0412_00105 29,48,51,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00106 28,29,67,73,81,86,88,102,106,109,112,114,116,124,126,128,130,138,141,148,149,153,155,157,159,160,164 +0412_00107 29,48,51,55,58,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00108 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00109 23,74,106,110,117,123,126,133,135,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00110 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0412_00111 25,47,53,59,64,65,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,138,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00112 25,37,62,65,74,75,77,80,85,86,89,93,97,98,106,110,111,113,117,118,120,121,122,127,129,133,135,136,137,141,142,143,144,145,147,148,149,150,154,156,158,159,160,161,162,163,164,165 +0412_00113 24,37,41,43,71,77,78,79,80,82,89,90,92,93,94,95,97,100,102,106,110,114,117,119,124,126,131,136,142,146,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00114 29,48,67,81,86,88,93,102,106,108,112,114,116,124,126,129,130,138,141,146,147,148,149,153,155,157,159,160,164 +0412_00115 16,19,22,50,57,62,66,72,76,83,89,90,91,93,96,98,99,101,105,108,109,112,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0412_00116 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,77,79,80,81,88,89,92,93,94,95,97,98,102,106,110,112,113,114,117,120,121,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00117 29,41,67,73,81,88,102,106,109,112,113,114,124,125,126,127,130,143,145,148,152,153,155,157,159,160,161,162,163,164,165 +0412_00118 23,86,88,93,106,110,113,114,116,117,123,126,127,138,143,144,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00119 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00120 29,36,47,67,75,81,83,88,89,94,96,100,102,106,109,110,111,112,114,115,117,120,121,122,124,126,127,128,130,136,137,138,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,164,165 +0412_00121 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0412_00122 23,24,33,47,58,67,71,77,78,79,81,88,93,94,95,97,102,106,110,117,119,122,123,124,126,130,136,140,141,142,146,148,149,154,156,157,158,159,160,161,164 +0412_00123 29,51,55,58,60,61,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00124 29,51,60,61,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,132,138,141,146,147,148,149,153,155,157,159,160,164 +0412_00125 29,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00126 29,47,67,69,73,74,81,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00127 50,66,74,76,98,99,105,109,112,113,114,121,126,127,135,137,141,143,144,145,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0412_00128 29,47,67,69,73,74,81,84,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0412_00129 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00130 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00131 77,78,80,85,93,119,122,125,133,135,141,142,144,145,148,149,150,156,158,160,161,162,163,165 +0412_00132 29,48,51,59,60,61,64,67,73,81,88,93,102,106,109,112,113,114,124,126,127,128,130,138,140,141,143,146,148,149,152,153,155,157,159,160,162,163,164,165 +0412_00133 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0412_00134 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0412_00135 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00136 36,47,65,79,81,83,88,96,97,98,105,106,113,120,121,125,127,137,142,143,145,154,156,160,161,162,163,164,165 +0412_00137 24,29,48,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00138 15,24,49,56,63,70,71,74,80,89,94,95,102,106,113,114,115,119,122,123,124,126,127,130,133,135,136,140,141,142,143,144,146,148,149,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00139 24,49,56,63,66,70,71,74,79,80,94,97,102,104,111,112,114,115,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0412_00140 23,90,97,106,109,110,113,114,117,123,125,126,127,131,133,135,136,140,142,143,145,146,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00141 23,93,97,106,110,113,117,123,125,126,127,131,133,135,136,140,142,143,145,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00142 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0412_00143 66,74,75,85,86,98,100,108,111,112,115,118,121,122,128,129,137,138,141,145,147,148,149,153,155,158,160,161,162,163,165 +0412_00144 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00145 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00146 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00147 57,66,74,75,85,86,95,98,100,108,112,115,120,121,122,128,132,137,138,141,145,148,149,152,153,155,157,158,160,161,162,163,164,165 +0412_00148 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00149 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00150 57,72,83,85,92,93,95,96,110,117,122,123,126,133,135,136,137,140,141,144,146,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00151 28,29,47,67,73,75,81,83,85,88,89,92,93,96,97,100,102,105,106,108,110,112,117,121,122,124,126,127,130,136,137,140,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00152 39,40,48,51,55,57,58,60,61,66,67,73,74,83,88,93,96,102,105,106,108,109,112,113,114,123,124,126,127,130,136,137,140,141,143,144,146,148,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00153 23,74,93,106,110,113,117,123,126,127,141,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00154 57,66,72,74,83,85,86,95,96,97,100,105,108,109,111,112,114,115,116,118,120,122,123,128,129,132,137,138,141,147,148,149,152,153,155,157,158,159,160,161,163,164,165 +0412_00155 25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 +0412_00156 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0412_00157 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0412_00158 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00159 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00160 24,29,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,125,126,127,130,133,135,140,143,145,146,148,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00161 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00162 23,54,74,79,92,95,106,110,117,123,126,131,136,141,142,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00163 29,37,48,52,62,65,67,73,75,77,79,80,81,83,88,94,95,96,97,102,106,109,110,112,113,114,117,120,121,122,124,126,127,128,130,133,135,137,138,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00164 23,29,67,73,81,85,88,89,92,93,102,106,108,109,110,111,112,114,116,117,122,123,124,126,128,130,132,136,138,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0412_00165 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00166 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0412_00167 28,29,47,52,65,67,70,73,75,77,80,81,88,92,94,95,97,98,100,102,105,106,109,110,111,112,113,114,117,120,121,122,124,125,126,127,128,130,137,138,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00168 29,67,81,88,102,106,109,112,114,115,118,124,126,128,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00169 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00170 66,74,85,92,100,108,110,112,116,117,122,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0412_00171 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00172 52,66,69,74,92,94,95,110,112,114,117,122,124,125,136,141,142,145,148,149,151,154,155,156,158,159,160,161,162,163,164,165 +0412_00173 17,25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 diff --git a/processed_data/0412/0412_fingerprints_maccs_isomeric_success.tsv b/processed_data/0412/0412_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..b5aeeb67c --- /dev/null +++ b/processed_data/0412/0412_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,174 @@ +id bits.on +0412_00001 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00002 52,69,74,86,90,92,93,94,95,104,108,110,111,117,122,123,124,131,132,136,139,142,146,147,148,149,151,154,155,156,157,158,159,160,161,164 +0412_00003 29,47,67,69,81,84,88,93,94,102,106,112,117,124,126,130,148,149,151,156,157,159,160,161,164 +0412_00004 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0412_00005 29,48,67,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,136,140,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00006 29,67,73,81,88,93,102,106,109,112,114,123,124,126,130,140,141,146,148,149,153,154,155,157,159,160,162,163,164,165 +0412_00007 29,48,67,73,81,88,89,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0412_00008 24,71,78,89,93,94,95,102,108,109,113,119,123,124,125,126,127,140,141,143,144,145,146,149,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0412_00009 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,141,147,148,149,153,154,155,156,158,160,161,164 +0412_00010 23,52,57,62,66,69,72,75,83,89,92,94,95,96,97,106,110,112,113,117,120,121,122,123,124,125,126,127,133,135,136,137,140,142,143,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00011 22,34,50,66,74,76,89,93,96,99,108,112,116,123,126,127,128,129,132,136,140,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00012 29,48,65,67,73,79,81,88,92,95,97,98,102,105,106,109,110,112,113,114,117,120,121,124,125,126,127,128,130,137,138,142,143,145,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00013 85,92,93,95,108,110,111,117,122,123,125,126,132,133,135,136,141,144,145,146,148,149,150,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00014 29,38,48,65,67,73,77,80,81,88,89,92,93,97,98,102,106,109,110,111,112,113,114,117,120,121,124,126,127,130,137,140,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00015 13,24,57,71,72,83,89,92,93,94,96,97,102,108,110,111,117,118,122,124,126,129,133,137,141,144,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00016 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0412_00017 29,48,59,64,67,73,81,88,93,102,106,112,113,124,126,127,130,141,143,144,146,148,149,150,152,157,159,160,162,163,164,165 +0412_00018 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0412_00019 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0412_00020 24,36,50,62,71,76,78,86,88,89,91,94,97,98,99,102,104,109,111,114,115,118,119,124,126,127,128,129,132,137,138,139,143,145,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0412_00021 52,62,65,66,72,74,75,77,79,80,83,92,94,95,96,97,110,112,113,117,120,121,122,124,125,126,127,137,139,141,142,143,145,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00022 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00023 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0412_00024 29,38,48,52,65,67,73,77,79,80,81,83,88,92,94,95,96,97,98,102,105,106,109,110,112,113,114,117,120,121,122,123,124,126,127,128,130,137,138,140,141,142,143,144,146,148,149,150,153,154,155,156,157,159,160,161,162,163,164,165 +0412_00025 29,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00026 29,67,81,88,102,106,109,112,114,115,124,126,130,141,148,149,153,155,157,159,160,164 +0412_00027 47,81,85,88,100,106,108,110,111,114,117,118,122,128,129,133,138,147,148,149,153,154,155,156,158,160,161,163,164,165 +0412_00028 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0412_00029 23,33,57,58,66,67,72,74,77,81,83,88,93,94,96,97,105,106,108,109,110,112,113,114,115,116,117,118,122,123,124,126,127,130,132,136,137,140,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00030 22,26,28,50,66,74,75,76,83,85,89,92,96,97,99,100,105,109,110,112,117,118,121,122,123,126,127,128,129,136,137,140,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,163,164,165 +0412_00031 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0412_00032 25,29,48,65,67,73,77,80,81,85,86,88,92,97,98,100,102,106,109,110,112,113,114,116,117,120,121,122,124,126,127,128,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00033 24,50,71,76,78,81,88,89,91,94,97,99,102,104,108,109,111,114,115,116,119,124,126,127,128,129,132,138,139,141,143,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0412_00034 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00035 28,29,67,73,81,88,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0412_00036 28,57,72,83,86,96,105,109,113,114,115,116,118,120,123,126,128,129,132,137,138,140,144,146,147,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00037 23,33,57,58,66,67,72,74,77,81,83,86,88,93,94,96,97,100,105,106,108,110,111,112,113,114,115,116,117,118,122,123,124,126,127,128,129,130,132,137,138,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00038 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0412_00039 50,57,62,66,72,74,76,83,89,96,99,105,112,115,118,123,126,127,132,136,137,140,141,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0412_00040 17,39,40,48,55,58,60,61,66,67,72,73,74,88,102,106,109,112,113,118,124,126,127,129,130,132,140,141,143,145,146,147,148,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00041 29,59,64,67,73,81,88,93,102,106,109,112,113,114,115,124,126,127,128,130,138,141,143,147,148,149,152,153,155,157,159,160,162,163,164,165 +0412_00042 43,47,66,73,74,77,81,88,106,112,113,125,126,127,131,133,135,141,142,143,144,145,149,150,151,152,156,157,158,160,161,162,163,164,165 +0412_00043 22,41,66,74,95,112,113,123,125,126,127,141,143,145,146,149,150,152,154,157,159,160,161,162,163,164,165 +0412_00044 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0412_00045 24,49,56,63,70,71,79,80,94,97,102,104,111,114,116,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0412_00046 24,52,65,66,71,74,75,78,80,83,92,93,94,95,96,97,102,109,110,111,112,113,117,119,120,121,122,123,124,125,126,127,130,137,140,141,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00047 66,74,86,108,109,112,113,114,115,125,126,127,138,141,143,145,146,149,152,153,155,157,159,160,162,163,164,165 +0412_00048 65,66,74,77,80,92,97,98,105,109,110,112,113,117,120,121,125,126,127,132,137,141,142,143,145,147,149,153,155,156,157,160,161,162,163,164,165 +0412_00049 26,50,53,57,66,72,76,83,89,90,91,93,95,96,98,99,105,108,109,112,114,115,116,120,123,126,127,128,131,132,133,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0412_00050 29,48,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0412_00051 23,24,51,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00052 23,24,51,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00053 23,74,80,82,85,86,90,91,93,100,104,106,108,109,110,111,114,115,116,117,118,122,123,126,128,132,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00054 57,65,69,71,72,83,89,92,94,96,97,102,110,113,117,120,121,124,127,137,143,151,152,154,156,159,160,161,162,164,165 +0412_00055 23,24,47,71,74,78,79,81,85,86,88,89,92,93,94,95,97,102,106,110,117,119,122,123,124,126,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00056 29,48,51,60,61,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00057 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00058 29,48,51,55,58,60,61,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00059 23,24,51,60,61,66,67,71,73,74,78,79,86,88,93,94,95,97,102,106,110,111,112,115,116,117,119,123,124,126,130,132,136,141,142,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00060 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00061 125,133,135,145,151,156,158,161,162,163,165 +0412_00062 29,48,76,89,92,93,97,99,102,106,110,112,117,124,126,130,136,140,141,146,148,149,151,152,154,156,157,158,159,160,161,164 +0412_00063 29,48,74,76,85,86,89,92,93,97,99,102,106,110,112,117,122,124,126,130,136,140,141,146,148,149,152,154,156,157,158,159,160,161,164 +0412_00064 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00065 29,59,64,67,73,81,88,102,106,108,109,112,114,124,126,129,130,132,138,148,149,153,155,157,160,162,163,164,165 +0412_00066 23,24,51,55,58,60,61,66,67,71,73,74,78,79,86,88,93,94,95,97,102,106,110,111,112,115,116,117,119,123,124,126,130,132,136,140,141,142,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00067 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0412_00068 23,51,55,58,59,60,61,64,67,73,81,88,93,102,106,110,112,113,117,123,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00069 23,51,55,58,60,61,67,73,86,88,93,102,106,110,112,113,114,116,117,123,124,126,127,130,132,136,138,140,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00070 23,51,60,61,67,73,86,88,93,102,106,110,113,114,116,117,123,124,126,127,132,136,138,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00071 23,51,59,60,61,64,67,73,81,88,93,102,106,110,113,117,123,124,126,127,136,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00072 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00073 29,48,67,81,88,91,92,93,102,106,108,110,112,116,117,124,126,130,136,138,140,141,146,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00074 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00075 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0412_00076 28,29,66,67,73,74,81,88,102,106,109,112,114,116,124,126,128,130,138,141,148,149,153,155,157,159,160,164 +0412_00077 23,24,51,55,58,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00078 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0412_00079 53,54,72,84,89,90,91,95,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,141,146,147,149,151,152,154,155,156,157,158,159,160,161,164 +0412_00080 29,48,76,89,93,99,102,106,112,123,124,126,130,136,140,141,146,148,149,152,154,157,159,160,164 +0412_00081 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,138,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00082 23,74,77,78,85,86,93,97,106,110,113,117,119,122,123,126,127,133,135,141,142,143,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00083 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0412_00084 29,47,67,69,73,74,81,88,89,90,94,102,106,109,112,113,114,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00085 23,24,66,71,74,78,79,81,88,93,94,95,102,106,110,112,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00086 23,24,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0412_00087 57,83,89,93,96,98,99,101,105,109,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00088 23,52,57,72,75,83,86,92,93,94,95,96,97,100,106,109,110,111,115,117,120,121,122,123,124,126,127,128,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00089 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,74,77,79,80,81,85,86,88,89,92,93,94,95,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00090 29,67,73,81,85,88,89,92,93,102,106,108,110,111,112,116,117,122,124,126,130,132,136,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0412_00091 24,29,48,49,56,63,70,71,93,94,102,106,112,113,119,122,124,126,127,130,133,135,136,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00092 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,86,88,89,93,94,97,98,102,106,109,110,112,113,115,116,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00093 23,24,66,71,74,78,79,86,88,93,94,95,102,106,110,111,112,115,116,117,119,123,124,126,141,142,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00094 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0412_00095 57,83,89,93,96,98,101,105,109,113,118,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,153,154,157,159,160,162,163,164,165 +0412_00096 23,43,47,54,73,77,79,81,88,93,97,106,110,117,123,126,131,133,135,136,140,142,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00097 25,32,33,36,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,83,88,89,93,94,96,97,98,102,106,110,112,113,117,120,121,123,124,126,127,130,131,133,135,136,137,140,141,142,143,144,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00098 16,19,22,50,54,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00099 23,72,74,93,106,110,113,117,123,126,127,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00100 23,57,72,74,83,89,93,96,105,106,110,112,113,117,120,123,126,127,137,140,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00101 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00102 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0412_00103 25,32,33,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,113,117,120,121,123,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0412_00104 57,83,89,93,96,98,99,101,105,113,120,123,125,126,127,132,136,137,140,143,144,145,146,147,152,154,157,159,160,162,163,164,165 +0412_00105 29,48,51,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00106 28,29,67,73,81,86,88,102,106,109,112,114,116,124,126,128,130,138,141,148,149,153,155,157,159,160,164 +0412_00107 29,48,51,55,58,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00108 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00109 23,74,106,110,117,123,126,133,135,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00110 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0412_00111 25,47,53,59,64,65,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,138,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00112 25,37,62,65,74,75,77,80,85,86,89,93,97,98,106,110,111,113,117,118,120,121,122,127,129,133,135,136,137,141,142,143,144,145,147,148,149,150,154,156,158,159,160,161,162,163,164,165 +0412_00113 24,37,41,43,71,77,78,79,80,82,89,90,92,93,94,95,97,100,102,106,110,114,117,119,124,126,131,136,142,146,149,151,153,154,155,156,157,158,159,160,161,164 +0412_00114 29,48,67,81,86,88,93,102,106,108,112,114,116,124,126,129,130,138,141,146,147,148,149,153,155,157,159,160,164 +0412_00115 16,19,22,50,57,62,66,72,76,83,89,90,91,93,96,98,99,101,105,108,109,112,116,120,123,126,127,128,129,131,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0412_00116 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,77,79,80,81,88,89,92,93,94,95,97,98,102,106,110,112,113,114,117,120,121,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00117 29,41,67,73,81,88,102,106,109,112,113,114,124,125,126,127,130,143,145,148,152,153,155,157,159,160,161,162,163,164,165 +0412_00118 23,86,88,93,106,110,113,114,116,117,123,126,127,138,143,144,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00119 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00120 29,36,47,67,75,81,83,88,89,94,96,100,102,106,109,110,111,112,114,115,117,120,121,122,124,126,127,128,130,136,137,138,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,164,165 +0412_00121 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0412_00122 23,24,33,47,58,67,71,77,78,79,81,88,93,94,95,97,102,106,110,117,119,122,123,124,126,130,136,140,141,142,146,148,149,154,156,157,158,159,160,161,164 +0412_00123 29,51,55,58,60,61,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,132,136,138,140,141,146,147,148,149,153,155,157,159,160,164 +0412_00124 29,51,60,61,67,73,81,86,88,102,106,108,109,112,114,116,124,126,128,129,130,132,138,141,146,147,148,149,153,155,157,159,160,164 +0412_00125 29,67,73,81,86,88,93,102,106,108,112,114,116,124,126,129,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00126 29,47,67,69,73,74,81,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00127 50,66,74,76,98,99,105,109,112,113,114,121,126,127,135,137,141,143,144,145,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0412_00128 29,47,67,69,73,74,81,84,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0412_00129 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00130 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00131 77,78,80,85,93,119,122,125,133,135,141,142,144,145,148,149,150,156,158,160,161,162,163,165 +0412_00132 29,48,51,59,60,61,64,67,73,81,88,93,102,106,109,112,113,114,124,126,127,128,130,138,140,141,143,146,148,149,152,153,155,157,159,160,162,163,164,165 +0412_00133 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0412_00134 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0412_00135 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00136 36,47,65,79,81,83,88,96,97,98,105,106,113,120,121,125,127,137,142,143,145,154,156,160,161,162,163,164,165 +0412_00137 24,29,48,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00138 15,24,49,56,63,70,71,74,80,89,94,95,102,106,113,114,115,119,122,123,124,126,127,130,133,135,136,140,141,142,143,144,146,148,149,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00139 24,49,56,63,66,70,71,74,79,80,94,97,102,104,111,112,114,115,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0412_00140 23,90,97,106,109,110,113,114,117,123,125,126,127,131,133,135,136,140,142,143,145,146,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00141 23,93,97,106,110,113,117,123,125,126,127,131,133,135,136,140,142,143,145,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00142 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0412_00143 66,74,75,85,86,98,100,108,111,112,115,118,121,122,128,129,137,138,141,145,147,148,149,153,155,158,160,161,162,163,165 +0412_00144 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00145 16,19,22,50,57,66,72,74,76,89,91,96,98,99,105,109,112,115,116,120,123,126,127,128,132,136,137,138,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00146 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00147 57,66,74,75,85,86,95,98,100,108,112,115,120,121,122,128,132,137,138,141,145,148,149,152,153,155,157,158,160,161,162,163,164,165 +0412_00148 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00149 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00150 57,72,83,85,92,93,95,96,110,117,122,123,126,133,135,136,137,140,141,144,146,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00151 28,29,47,67,73,75,81,83,85,88,89,92,93,96,97,100,102,105,106,108,110,112,117,121,122,124,126,127,130,136,137,140,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00152 39,40,48,51,55,57,58,60,61,66,67,73,74,83,88,93,96,102,105,106,108,109,112,113,114,123,124,126,127,130,136,137,140,141,143,144,146,148,149,150,152,153,155,157,159,160,162,163,164,165 +0412_00153 23,74,93,106,110,113,117,123,126,127,141,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00154 57,66,72,74,83,85,86,95,96,97,100,105,108,109,111,112,114,115,116,118,120,122,123,128,129,132,137,138,141,147,148,149,152,153,155,157,158,159,160,161,163,164,165 +0412_00155 25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 +0412_00156 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0412_00157 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0412_00158 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0412_00159 16,19,22,50,53,57,66,72,76,82,89,90,91,96,98,99,104,105,109,112,115,116,120,127,128,129,131,132,137,138,139,140,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0412_00160 24,29,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,125,126,127,130,133,135,140,143,145,146,148,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00161 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00162 23,54,74,79,92,95,106,110,117,123,126,131,136,141,142,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0412_00163 29,37,48,52,62,65,67,73,75,77,79,80,81,83,88,94,95,96,97,102,106,109,110,112,113,114,117,120,121,122,124,126,127,128,130,133,135,137,138,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00164 23,29,67,73,81,85,88,89,92,93,102,106,108,109,110,111,112,114,116,117,122,123,124,126,128,130,132,136,138,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0412_00165 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00166 53,57,89,99,105,108,113,115,116,118,123,127,128,129,131,132,136,137,139,140,143,144,146,147,152,154,157,159,160,162,163,164,165 +0412_00167 28,29,47,52,65,67,70,73,75,77,80,81,88,92,94,95,97,98,100,102,105,106,109,110,111,112,113,114,117,120,121,122,124,125,126,127,128,130,137,138,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0412_00168 29,67,81,88,102,106,109,112,114,115,118,124,126,128,130,138,141,147,148,149,153,155,157,159,160,164 +0412_00169 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0412_00170 66,74,85,92,100,108,110,112,116,117,122,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0412_00171 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0412_00172 52,66,69,74,92,94,95,110,112,114,117,122,124,125,136,141,142,145,148,149,151,154,155,156,158,159,160,161,162,163,164,165 +0412_00173 17,25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 diff --git a/processed_data/0412/0412_fingerprints_pubchem_canonical_success.tsv b/processed_data/0412/0412_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..612df5934 --- /dev/null +++ b/processed_data/0412/0412_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,174 @@ +id bits.on +0412_00001 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0412_00002 10,11,15,16,19,20,284,285,286,287,300,301,309,333,345,352,353,366,375,381,391,394,395,399,407,421,440,441,444,452,453,516,519,523,536,541,580,593,618,638,644,683,686,687,688 +0412_00003 10,15,19,20,31,34,284,287,294,300,305,315,367,369,375,408,412,426,457 +0412_00004 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0412_00005 10,11,15,19,20,21,31,34,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,426,440,444,452,457,529,541,644,647 +0412_00006 10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,334,345,347,350,353,354,356,357,367,369,371,372,375,381,385,406,408,412,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,615,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0412_00007 10,11,12,19,20,21,31,32,34,35,284,285,287,315,345,347,353,367,375,408,412 +0412_00008 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,333,334,341,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,396,406,417,419,421,431,432,435,441,442,443,444,447,453,462,471,477,491,499,517,521,525,536,539,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,701,705,709,710,711,713,756,757,819,820 +0412_00009 10,11,12,15,19,34,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,614,646,647,657 +0412_00010 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,258,260,284,285,286,287,300,301,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,394,395,399,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,477,478,491,499,503,516,517,519,521,523,525,536,538,542,543,546,547,549,550,553,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,606,607,608,609,613,614,615,616,619,620,621,627,633,634,635,638,641,642,644,646,651,652,656,660,661,665,666,667,669,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,778 +0412_00011 10,11,12,13,19,20,21,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,582,583,595,600,615,620,638,641,643,661,665,667,672,673,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00012 10,11,12,15,16,19,20,31,34,179,180,181,182,186,256,257,258,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,373,374,375,377,378,382,385,387,388,391,397,404,408,412,417,419,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,486,491,492,496,498,500,503,507,517,521,522,524,525,531,539,540,541,543,544,546,547,548,550,553,556,557,565,567,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,771,834 +0412_00013 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,567,571,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,735,759,798,822 +0412_00014 10,11,12,15,16,19,20,21,31,34,179,181,182,256,257,284,285,286,287,315,333,345,347,352,353,356,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,406,408,412,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,576,586,590,594,595,597,602,605,613,614,615,621,622,627,629,633,637,639,640,653,654,655,657,658,667,675 +0412_00015 10,11,12,15,19,20,144,147,179,180,256,257,284,285,286,287,302,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,385,391,396,406,410,417,421,431,433,435,440,442,444,447,452,465,471,477,491,494,499,515,521,525,536,541,542,543,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,589,590,593,595,596,598,600,604,605,607,608,609,614,615,620,621,624,626,627,629,633,634,635,638,639,641,642,643,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,710,711 +0412_00016 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00017 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,334,342,345,353,354,356,357,367,369,371,372,375,382,383,384,385,408,412,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00018 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0412_00019 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0412_00020 10,11,12,13,15,19,20,34,179,182,183,186,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,705,709,710,711,713 +0412_00021 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,374,375,376,380,382,383,385,390,391,397,404,406,407,417,419,423,431,435,442,447,448,451,454,468,471,477,485,487,488,491,492,497,499,505,516,517,518,520,521,522,525,541,542,543,549,553,557,561,565,566,567,568,571,572,573,574,575,579,583,585,590,593,595,596,597,600,604,605,607,609,613,614,615,618,619,620,621,627,633,635,637,638,641,642,652,655,656,660,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0412_00022 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00023 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0412_00024 10,11,12,15,16,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,301,315,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,375,376,377,379,380,381,382,385,388,389,390,391,397,404,406,408,412,417,419,421,423,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,468,473,478,483,485,487,488,491,492,494,496,497,499,503,505,507,516,518,520,522,524,525,531,536,539,540,541,542,543,546,547,549,550,554,556,557,561,571,573,574,575,577,578,580,581,586,593,594,595,597,601,602,605,614,615,617,620,622,624,625,629,634,637,638,639,645,653,655,657,658,666,667,672,673,674,675,709 +0412_00025 10,11,12,19,20,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,508,659 +0412_00026 10,11,12,19,20,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,408,412,426,457 +0412_00027 10,11,12,15,19,34,179,180,284,285,286,287,294,333,339,341,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0412_00028 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0412_00029 10,11,12,13,15,16,19,20,21,34,144,150,179,180,256,284,285,286,287,306,333,334,338,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00030 10,11,12,13,15,19,20,21,116,117,144,149,150,179,183,284,285,286,287,333,334,335,336,345,352,353,366,367,375,381,391,392,406,417,421,431,435,440,441,442,444,447,452,453,465,491,525,536,541,554,557,580,583,593,600,613,614,638,641,646,647,651,657,661,672,679,680,681,684,685,689,693,697,705,709,710,711,712,713 +0412_00031 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0412_00032 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00033 10,11,12,13,15,19,20,34,179,183,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,709,710,711 +0412_00034 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00035 10,11,12,19,20,21,31,32,34,35,36,284,285,287,294,315,345,347,353,367,369,375,408,412 +0412_00036 10,11,12,13,19,20,21,144,150,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,368,371,372,375,381,382,383,385,406,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,619,620,627,631,635,638,641,642,652,656,661,662,663,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,715,736,756,762,778,799,819,825 +0412_00037 10,11,12,13,15,16,19,20,34,144,150,179,180,256,284,285,286,287,306,333,334,338,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,613,614,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,657,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00038 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0412_00039 10,11,12,13,19,20,21,144,145,150,151,179,180,256,284,285,287,333,334,335,338,342,345,353,356,357,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713,714,735,756,777,798,819 +0412_00040 10,11,12,13,19,20,21,34,179,180,186,187,256,284,285,287,333,334,335,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,418,428,429,431,435,442,447,459,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,689,690,697,698,700,709,710,711,712,713,715,778,825 +0412_00041 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,350,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,417,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0412_00042 10,11,12,13,15,16,19,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,336,337,341,342,345,352,353,356,357,371,372,375,376,377,378,382,383,385,391,393,394,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,509,512,517,521,525,542,543,546,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,652,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,722,735,736,759,785,798,799,822 +0412_00043 10,11,12,13,15,19,20,116,117,179,180,186,187,256,258,284,285,286,287,333,334,335,336,340,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,406,417,420,421,430,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,569,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,677,678,679,680,681,682,685,689,690,697,699,700,709,710,711,712,713,736,799 +0412_00044 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,582,583,595,600,615,620,638,641,643,661,665,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00045 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,750,756,759,771,780,801,813,819,822,834 +0412_00046 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,302,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,381,382,383,385,388,391,396,397,406,417,419,421,423,431,432,435,436,438,441,442,443,444,447,448,450,453,454,465,468,471,477,478,491,494,496,497,499,516,517,521,522,524,525,531,536,539,540,541,542,543,546,549,550,553,554,556,557,565,566,571,574,575,579,580,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,609,613,614,615,617,619,620,621,622,624,627,629,633,634,635,638,639,641,642,645,652,653,656,658,661,665,666,667,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0412_00047 10,11,12,13,19,20,179,180,186,187,193,194,256,258,260,284,285,287,333,334,335,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,712,713,715,736,778,799 +0412_00048 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,335,341,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,380,382,385,386,387,388,390,391,397,404,406,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,613,614,615,619,620,621,622,627,629,633,634,635,637,638,639,641,642,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,709,710,711,712,713,714,759,777,822 +0412_00049 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,441,442,444,447,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0412_00050 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0412_00051 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,466,508,529,539,541,560,647 +0412_00052 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647 +0412_00053 10,11,12,15,16,19,20,284,285,286,287,300,333,345,346,347,352,353,366,367,375,381,391,392,393,394,406,421,452,453,529,541,560,594,613,614,644,646,647 +0412_00054 10,11,15,19,20,144,146,147,256,257,284,285,286,287,300,302,333,342,345,352,353,356,359,371,372,375,377,382,385,388,394,396,400,417,419,421,424,433,435,440,442,443,444,447,450,452,455,465,491,494,499,503,515,524,525,528,531,536,539,540,542,543,546,547,549,550,554,556,557,559,571,574,580,581,582,589,593,600,601,624,625,626,634,639,643,644,653,666,672,674 +0412_00055 10,11,15,16,19,20,34,284,285,286,287,294,300,302,352,353,354,366,369,375,381,391,392,393,394,396,413,419,421,440,443,444,452,453,508,529,541,560,647 +0412_00056 10,11,19,20,21,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,415,426,457,458,466,508,659 +0412_00057 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0412_00058 10,11,19,20,21,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,415,426,457,458,460,466,508,659 +0412_00059 10,11,12,15,16,19,20,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647,709,712 +0412_00060 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00061 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684 +0412_00062 10,11,15,19,20,21,31,284,285,286,287,300,315,333,342,345,352,353,366,367,375,391,393,394,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,529,541,554,600,644,647,672 +0412_00063 10,11,12,15,19,20,21,31,284,285,286,287,315,333,342,345,352,353,366,367,375,391,392,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,541,554,600,647,672 +0412_00064 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0412_00065 10,11,12,19,31,34,35,179,180,256,284,285,287,293,294,315,333,345,347,349,353,354,356,367,371,372,375,384,385,408,417,435,442,447,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0412_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647,709,712 +0412_00067 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00068 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,460,466,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00069 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,460,466,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00070 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,466,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00071 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,466,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00072 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00073 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,300,315,333,345,350,352,353,354,366,367,369,375,391,393,394,408,412,413,421,426,440,444,452,457,508,529,536,541,614,644,647,659 +0412_00074 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0412_00075 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0412_00076 10,11,12,19,20,31,34,35,284,285,287,294,315,333,334,345,347,353,354,367,369,375,408,412,413,480,508 +0412_00077 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,460,466,508,529,539,541,560,647 +0412_00078 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0412_00079 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0412_00080 10,11,19,20,21,31,284,285,287,315,333,342,345,353,367,375,381,406,408,412,417,421,426,435,441,442,444,447,453,457,499,525,554,574,595,600,620,667,672 +0412_00081 10,11,12,13,19,20,21,144,147,150,151,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0412_00082 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,366,371,372,375,376,377,378,381,382,383,385,391,392,393,394,406,417,419,421,435,438,442,447,448,450,451,452,453,454,465,471,477,488,491,499,503,517,520,521,525,529,541,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,619,620,623,627,634,635,638,639,641,642,647,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,743,806 +0412_00083 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0412_00084 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,300,305,315,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,394,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,529,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,644,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0412_00085 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0412_00086 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0412_00087 10,11,12,13,19,20,21,144,150,151,157,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0412_00088 10,11,12,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,478,491,496,516,517,519,521,525,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00089 10,11,12,15,16,17,19,20,21,34,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,436,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,494,496,499,503,505,507,517,520,521,522,524,525,531,532,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,577,578,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,625,627,629,634,635,637,639,640,641,647,648,653,654,655,657,658,661,665,666,667,669,672,673,674,675,678,679,684,685,696,709,710 +0412_00090 10,11,15,19,20,21,31,34,35,284,285,286,287,294,315,345,350,352,353,354,366,367,369,375,391,392,408,412,421,440,444,449,452,541,646,647,651 +0412_00091 10,11,12,15,19,20,21,31,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,426,435,438,442,447,450,455,456,457,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00092 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,342,345,347,353,354,356,367,371,372,375,376,380,382,383,384,385,390,391,393,394,397,404,406,415,417,419,421,435,442,447,451,452,454,458,460,466,471,477,484,485,488,491,499,505,517,520,521,525,532,533,535,542,543,549,553,557,561,565,566,568,571,573,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,637,638,641,642,648,652,656,661,663,665,667,669,678,679,680,681,690,763,826 +0412_00093 10,11,12,15,16,19,20,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647,709,712 +0412_00094 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00095 10,11,12,13,19,20,21,144,147,148,150,151,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0412_00096 10,11,12,15,16,17,19,20,21,34,35,179,180,256,284,285,286,287,294,300,333,341,345,352,356,367,371,372,375,376,377,378,381,385,391,393,394,406,417,421,422,435,438,442,447,450,452,453,465,471,491,496,503,509,512,517,521,525,546,547,548,550,553,557,560,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00097 10,11,12,15,16,17,19,20,21,34,35,144,147,179,181,182,256,257,258,259,284,285,286,287,294,300,306,333,345,350,352,353,354,356,359,360,367,369,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,413,415,417,419,421,422,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,472,473,481,484,485,488,491,494,501,505,507,508,514,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,587,595,596,597,598,604,605,609,620,624,635,637,638,641,642,648,655,656,659,661,665,667,669,672,678,679,681,685 +0412_00098 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0412_00099 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,342,345,347,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,690,762,825 +0412_00100 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,333,342,345,353,356,366,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,564,565,566,568,571,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,613,615,619,620,621,623,627,631,633,635,638,640,641,642,647,652,654,656,661,662,663,665,667,669,678,679,680,681,690,691,701,702,741,762,804,825 +0412_00101 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00102 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0412_00103 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,360,367,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,415,417,419,421,431,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,473,484,485,488,491,494,505,507,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,595,596,597,598,600,604,605,609,619,620,624,635,637,638,641,642,648,655,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0412_00104 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0412_00105 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00106 10,11,19,20,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,480,508 +0412_00107 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,460,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00108 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0412_00109 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684 +0412_00110 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00111 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00112 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,284,285,286,287,333,339,341,345,346,352,366,375,376,380,390,391,392,397,398,404,419,421,451,452,454,485,488,505,520,522,541,561,573,583,593,597,614,637,646,647,648,651,655,680,684 +0412_00113 10,11,15,16,17,19,20,284,285,286,287,300,302,333,341,345,346,352,353,366,367,375,376,391,393,394,396,419,420,421,430,432,440,443,444,452,529,536,541,561,569,614,637,644,646,647,648,651,655 +0412_00114 10,11,19,20,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,426,457,508,659 +0412_00115 10,11,12,13,14,19,20,21,22,23,116,119,144,145,147,150,151,154,158,165,179,180,182,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,477,491,499,517,525,536,538,554,557,564,568,572,574,580,582,583,595,600,606,611,615,618,620,638,640,641,642,643,662,663,664,667,668,672,673,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820,825,840,841,846,861,862,867 +0412_00116 10,11,12,15,16,17,19,20,21,34,35,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,345,346,350,352,353,354,356,359,366,367,369,371,372,373,374,375,376,377,380,382,384,385,388,390,391,393,394,397,404,406,413,415,417,419,421,435,436,442,443,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,496,499,501,503,505,507,508,517,520,521,522,524,525,531,532,533,534,539,540,541,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,576,577,578,579,583,585,586,587,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,640,641,648,653,654,655,657,658,659,661,665,666,667,669,675,678,679,684 +0412_00117 10,11,12,15,19,20,31,34,179,180,186,187,256,258,284,285,286,287,293,315,333,334,342,345,347,352,353,356,357,367,371,372,375,382,383,385,408,412,417,420,430,431,435,442,447,467,471,491,499,517,521,525,542,543,549,553,557,565,569,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,677,678,679,680,681,689,690,709,710,711,715,778 +0412_00118 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00119 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00120 10,11,12,15,19,20,31,34,35,144,146,147,284,285,286,287,294,305,315,333,345,346,347,350,352,353,354,366,367,369,375,391,408,412,413,421,426,452,457,490,508,541,646,647 +0412_00121 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0412_00122 10,11,12,15,16,17,19,20,21,34,35,284,285,286,287,294,302,306,345,352,354,366,369,375,381,391,396,413,419,421,443,452,453,508,540,541,647 +0412_00123 10,11,12,19,20,21,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,415,458,460,466,508,659 +0412_00124 10,11,12,19,20,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,415,458,466,508,659 +0412_00125 10,11,19,20,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,508,659 +0412_00126 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,300,305,315,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,394,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,529,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,644,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0412_00127 10,11,12,15,19,179,180,184,185,186,256,284,285,286,287,300,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,431,435,438,442,447,450,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,722,736,759,785,799,822 +0412_00128 10,11,12,15,19,20,21,31,34,179,180,256,284,285,287,300,305,315,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0412_00129 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00130 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00131 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,333,334,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,417,419,431,435,438,442,447,448,450,451,454,465,471,488,491,503,517,520,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,698,709,710,711,717,735,759,780,798,822 +0412_00132 10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,415,417,435,442,447,458,466,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0412_00133 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0412_00134 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0412_00135 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00136 10,11,12,15,16,19,34,35,144,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,333,334,341,345,352,354,356,357,358,359,371,372,375,377,378,384,385,387,388,391,397,404,413,417,419,421,422,431,432,435,438,442,443,447,450,454,465,471,473,474,475,476,480,481,483,486,490,491,496,500,501,503,507,508,509,517,521,524,525,531,534,539,540,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0412_00137 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00138 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,333,334,336,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,396,402,406,417,421,424,431,435,438,442,447,450,453,455,456,465,471,477,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,564,565,566,567,571,574,575,579,583,585,590,593,594,595,596,600,601,602,604,605,607,608,609,611,616,619,620,623,627,634,635,638,641,642,650,652,656,661,662,665,666,667,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713,722,738,750,757,764,785,801,813,820,827 +0412_00139 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,335,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,712,713,717,738,750,771,780,801,813,834 +0412_00140 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0412_00141 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,689,690,692,703,704,709,710,711,738,743,801,806 +0412_00142 10,11,15,16,19,20,21,31,34,35,144,146,147,256,257,284,286,287,294,301,315,366,367,369,375,391,397,406,408,412,413,419,421,422,423,452,454,468,476,490,497,509,519,522,541,647 +0412_00143 10,11,12,13,15,179,180,181,182,186,256,284,285,286,333,334,335,336,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0412_00144 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,350,352,353,354,356,357,359,367,369,371,372,375,376,377,380,381,382,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,485,488,491,494,496,499,503,505,507,517,520,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,609,614,619,620,622,624,627,629,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0412_00145 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0412_00146 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,560,565,566,568,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,631,633,634,635,638,639,641,642,644,646,652,653,656,658,661,663,665,666,667,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0412_00147 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0412_00148 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00149 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0412_00150 10,11,12,13,15,19,20,21,144,147,179,180,256,257,258,284,285,286,287,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,385,391,392,406,410,417,421,431,433,435,437,438,440,441,442,444,447,449,450,452,453,463,465,471,477,491,494,496,499,517,521,525,536,537,538,541,542,543,546,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,603,604,605,606,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,692,694,695,696,698,703,709,710,711,735,759,798,822 +0412_00151 10,11,12,15,19,20,21,31,34,35,144,149,150,179,180,256,284,285,286,287,294,315,333,334,345,352,353,356,357,366,367,369,371,372,375,385,391,392,408,412,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,651,657,661,665,669,672,673,678,679,680,684,685,686,688,689,693,697,705,709,710,711,713,756,819 +0412_00152 10,11,12,19,20,21,34,144,150,179,180,256,284,285,287,294,333,334,335,342,345,347,348,353,356,357,367,368,369,371,372,375,381,382,383,385,406,415,417,431,435,442,447,458,459,460,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,619,620,621,627,633,635,638,641,642,652,656,661,662,665,667,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,720,736,757,783,799,820 +0412_00153 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,735,736,798,799 +0412_00154 10,11,12,13,15,19,20,144,147,179,180,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,541,564,567,568,583,611,614,615,616,638,639,657,660,662,663,680,681,689,690,697,698,700,709,710,711,712,713,778 +0412_00155 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 +0412_00156 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0412_00157 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00158 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00159 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0412_00160 10,11,12,15,19,20,21,31,34,179,180,186,187,256,258,284,285,286,287,293,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00161 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0412_00162 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,442,444,447,452,453,465,471,491,517,521,525,529,536,537,541,550,553,557,560,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,613,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,689,697,698,709,710,711,714,777 +0412_00163 10,11,12,15,16,19,20,31,34,144,146,147,179,180,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,366,367,371,372,374,375,376,377,378,380,385,390,391,397,404,408,412,417,419,423,435,438,442,447,448,450,451,454,465,468,471,478,483,485,487,488,491,492,496,497,503,505,516,517,518,520,521,522,525,541,546,547,550,553,557,561,565,571,573,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,655,658,661,665,666,669,675,678,679,680,684 +0412_00164 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,315,345,347,350,352,353,354,366,367,369,375,381,391,392,406,408,412,421,440,444,452,453,541,613,646,647,651 +0412_00165 10,11,12,15,16,17,19,20,34,179,181,182,256,257,284,285,286,287,300,306,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,404,417,419,431,432,438,442,443,450,451,454,459,460,465,473,483,485,488,491,496,499,505,507,520,524,525,529,531,539,540,541,542,546,549,550,556,557,561,571,573,574,575,583,586,593,594,596,597,601,602,607,609,614,620,622,629,634,635,637,638,639,641,644,652,653,655,658,661,666,669,675,679,680,681,684,689,690,709,710,711 +0412_00166 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0412_00167 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,347,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00168 10,11,12,19,20,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,408,412,426,457 +0412_00169 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00170 10,11,12,15,19,179,180,256,284,285,286,287,333,334,335,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,689,709,710,711 +0412_00171 10,11,12,15,19,20,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,417,426,431,435,442,447,457,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00172 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,345,352,353,356,357,371,372,375,385,391,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,516,517,519,521,523,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,735,777,798 +0412_00173 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,418,419,428,432,435,438,442,443,447,450,451,454,461,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 diff --git a/processed_data/0412/0412_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0412/0412_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..612df5934 --- /dev/null +++ b/processed_data/0412/0412_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,174 @@ +id bits.on +0412_00001 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0412_00002 10,11,15,16,19,20,284,285,286,287,300,301,309,333,345,352,353,366,375,381,391,394,395,399,407,421,440,441,444,452,453,516,519,523,536,541,580,593,618,638,644,683,686,687,688 +0412_00003 10,15,19,20,31,34,284,287,294,300,305,315,367,369,375,408,412,426,457 +0412_00004 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0412_00005 10,11,15,19,20,21,31,34,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,426,440,444,452,457,529,541,644,647 +0412_00006 10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,334,345,347,350,353,354,356,357,367,369,371,372,375,381,385,406,408,412,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,615,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0412_00007 10,11,12,19,20,21,31,32,34,35,284,285,287,315,345,347,353,367,375,408,412 +0412_00008 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,333,334,341,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,396,406,417,419,421,431,432,435,441,442,443,444,447,453,462,471,477,491,499,517,521,525,536,539,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,701,705,709,710,711,713,756,757,819,820 +0412_00009 10,11,12,15,19,34,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,614,646,647,657 +0412_00010 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,258,260,284,285,286,287,300,301,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,394,395,399,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,477,478,491,499,503,516,517,519,521,523,525,536,538,542,543,546,547,549,550,553,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,606,607,608,609,613,614,615,616,619,620,621,627,633,634,635,638,641,642,644,646,651,652,656,660,661,665,666,667,669,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,778 +0412_00011 10,11,12,13,19,20,21,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,582,583,595,600,615,620,638,641,643,661,665,667,672,673,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00012 10,11,12,15,16,19,20,31,34,179,180,181,182,186,256,257,258,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,373,374,375,377,378,382,385,387,388,391,397,404,408,412,417,419,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,486,491,492,496,498,500,503,507,517,521,522,524,525,531,539,540,541,543,544,546,547,548,550,553,556,557,565,567,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,771,834 +0412_00013 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,567,571,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,735,759,798,822 +0412_00014 10,11,12,15,16,19,20,21,31,34,179,181,182,256,257,284,285,286,287,315,333,345,347,352,353,356,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,406,408,412,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,576,586,590,594,595,597,602,605,613,614,615,621,622,627,629,633,637,639,640,653,654,655,657,658,667,675 +0412_00015 10,11,12,15,19,20,144,147,179,180,256,257,284,285,286,287,302,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,385,391,396,406,410,417,421,431,433,435,440,442,444,447,452,465,471,477,491,494,499,515,521,525,536,541,542,543,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,589,590,593,595,596,598,600,604,605,607,608,609,614,615,620,621,624,626,627,629,633,634,635,638,639,641,642,643,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,710,711 +0412_00016 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00017 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,334,342,345,353,354,356,357,367,369,371,372,375,382,383,384,385,408,412,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00018 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0412_00019 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0412_00020 10,11,12,13,15,19,20,34,179,182,183,186,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,705,709,710,711,713 +0412_00021 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,374,375,376,380,382,383,385,390,391,397,404,406,407,417,419,423,431,435,442,447,448,451,454,468,471,477,485,487,488,491,492,497,499,505,516,517,518,520,521,522,525,541,542,543,549,553,557,561,565,566,567,568,571,572,573,574,575,579,583,585,590,593,595,596,597,600,604,605,607,609,613,614,615,618,619,620,621,627,633,635,637,638,641,642,652,655,656,660,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0412_00022 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00023 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0412_00024 10,11,12,15,16,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,301,315,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,375,376,377,379,380,381,382,385,388,389,390,391,397,404,406,408,412,417,419,421,423,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,468,473,478,483,485,487,488,491,492,494,496,497,499,503,505,507,516,518,520,522,524,525,531,536,539,540,541,542,543,546,547,549,550,554,556,557,561,571,573,574,575,577,578,580,581,586,593,594,595,597,601,602,605,614,615,617,620,622,624,625,629,634,637,638,639,645,653,655,657,658,666,667,672,673,674,675,709 +0412_00025 10,11,12,19,20,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,508,659 +0412_00026 10,11,12,19,20,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,408,412,426,457 +0412_00027 10,11,12,15,19,34,179,180,284,285,286,287,294,333,339,341,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0412_00028 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0412_00029 10,11,12,13,15,16,19,20,21,34,144,150,179,180,256,284,285,286,287,306,333,334,338,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00030 10,11,12,13,15,19,20,21,116,117,144,149,150,179,183,284,285,286,287,333,334,335,336,345,352,353,366,367,375,381,391,392,406,417,421,431,435,440,441,442,444,447,452,453,465,491,525,536,541,554,557,580,583,593,600,613,614,638,641,646,647,651,657,661,672,679,680,681,684,685,689,693,697,705,709,710,711,712,713 +0412_00031 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0412_00032 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0412_00033 10,11,12,13,15,19,20,34,179,183,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,709,710,711 +0412_00034 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00035 10,11,12,19,20,21,31,32,34,35,36,284,285,287,294,315,345,347,353,367,369,375,408,412 +0412_00036 10,11,12,13,19,20,21,144,150,179,180,256,284,285,287,333,334,342,345,347,353,356,357,367,368,371,372,375,381,382,383,385,406,417,431,435,442,447,471,477,491,499,521,525,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,619,620,627,631,635,638,641,642,652,656,661,662,663,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,715,736,756,762,778,799,819,825 +0412_00037 10,11,12,13,15,16,19,20,34,144,150,179,180,256,284,285,286,287,306,333,334,338,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,613,614,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,657,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00038 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0412_00039 10,11,12,13,19,20,21,144,145,150,151,179,180,256,284,285,287,333,334,335,338,342,345,353,356,357,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713,714,735,756,777,798,819 +0412_00040 10,11,12,13,19,20,21,34,179,180,186,187,256,284,285,287,333,334,335,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,418,428,429,431,435,442,447,459,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,689,690,697,698,700,709,710,711,712,713,715,778,825 +0412_00041 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,350,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,417,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0412_00042 10,11,12,13,15,16,19,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,336,337,341,342,345,352,353,356,357,371,372,375,376,377,378,382,383,385,391,393,394,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,509,512,517,521,525,542,543,546,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,652,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,722,735,736,759,785,798,799,822 +0412_00043 10,11,12,13,15,19,20,116,117,179,180,186,187,256,258,284,285,286,287,333,334,335,336,340,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,406,417,420,421,430,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,569,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,677,678,679,680,681,682,685,689,690,697,699,700,709,710,711,712,713,736,799 +0412_00044 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,574,580,582,583,595,600,615,620,638,641,643,661,665,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0412_00045 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,750,756,759,771,780,801,813,819,822,834 +0412_00046 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,302,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,381,382,383,385,388,391,396,397,406,417,419,421,423,431,432,435,436,438,441,442,443,444,447,448,450,453,454,465,468,471,477,478,491,494,496,497,499,516,517,521,522,524,525,531,536,539,540,541,542,543,546,549,550,553,554,556,557,565,566,571,574,575,579,580,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,609,613,614,615,617,619,620,621,622,624,627,629,633,634,635,638,639,641,642,645,652,653,656,658,661,665,666,667,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0412_00047 10,11,12,13,19,20,179,180,186,187,193,194,256,258,260,284,285,287,333,334,335,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,689,690,697,698,699,700,709,710,711,712,713,715,736,778,799 +0412_00048 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,335,341,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,380,382,385,386,387,388,390,391,397,404,406,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,613,614,615,619,620,621,622,627,629,633,634,635,637,638,639,641,642,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,709,710,711,712,713,714,759,777,822 +0412_00049 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,441,442,444,447,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0412_00050 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0412_00051 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,466,508,529,539,541,560,647 +0412_00052 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647 +0412_00053 10,11,12,15,16,19,20,284,285,286,287,300,333,345,346,347,352,353,366,367,375,381,391,392,393,394,406,421,452,453,529,541,560,594,613,614,644,646,647 +0412_00054 10,11,15,19,20,144,146,147,256,257,284,285,286,287,300,302,333,342,345,352,353,356,359,371,372,375,377,382,385,388,394,396,400,417,419,421,424,433,435,440,442,443,444,447,450,452,455,465,491,494,499,503,515,524,525,528,531,536,539,540,542,543,546,547,549,550,554,556,557,559,571,574,580,581,582,589,593,600,601,624,625,626,634,639,643,644,653,666,672,674 +0412_00055 10,11,15,16,19,20,34,284,285,286,287,294,300,302,352,353,354,366,369,375,381,391,392,393,394,396,413,419,421,440,443,444,452,453,508,529,541,560,647 +0412_00056 10,11,19,20,21,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,415,426,457,458,466,508,659 +0412_00057 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0412_00058 10,11,19,20,21,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,415,426,457,458,460,466,508,659 +0412_00059 10,11,12,15,16,19,20,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647,709,712 +0412_00060 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00061 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684 +0412_00062 10,11,15,19,20,21,31,284,285,286,287,300,315,333,342,345,352,353,366,367,375,391,393,394,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,529,541,554,600,644,647,672 +0412_00063 10,11,12,15,19,20,21,31,284,285,286,287,315,333,342,345,352,353,366,367,375,391,392,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,541,554,600,647,672 +0412_00064 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0412_00065 10,11,12,19,31,34,35,179,180,256,284,285,287,293,294,315,333,345,347,349,353,354,356,367,371,372,375,384,385,408,417,435,442,447,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0412_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647,709,712 +0412_00067 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00068 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,460,466,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00069 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,460,466,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00070 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,466,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00071 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,415,417,421,431,435,442,447,452,453,458,466,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00072 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00073 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,300,315,333,345,350,352,353,354,366,367,369,375,391,393,394,408,412,413,421,426,440,444,452,457,508,529,536,541,614,644,647,659 +0412_00074 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0412_00075 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0412_00076 10,11,12,19,20,31,34,35,284,285,287,294,315,333,334,345,347,353,354,367,369,375,408,412,413,480,508 +0412_00077 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,460,466,508,529,539,541,560,647 +0412_00078 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0412_00079 10,11,12,13,14,15,19,20,21,22,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,366,367,375,381,394,406,407,421,441,444,453,529,536,567,568,572,580,583,593,615,618,638,640,644,663,680,681,682,683,684,685,687,688,689,690,691,694,695,697,698,699,701,709,710,711 +0412_00080 10,11,19,20,21,31,284,285,287,315,333,342,345,353,367,375,381,406,408,412,417,421,426,435,441,442,444,447,453,457,499,525,554,574,595,600,620,667,672 +0412_00081 10,11,12,13,19,20,21,144,147,150,151,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0412_00082 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,366,371,372,375,376,377,378,381,382,383,385,391,392,393,394,406,417,419,421,435,438,442,447,448,450,451,452,453,454,465,471,477,488,491,499,503,517,520,521,525,529,541,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,619,620,623,627,634,635,638,639,641,642,647,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,743,806 +0412_00083 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0412_00084 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,300,305,315,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,394,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,529,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,644,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0412_00085 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0412_00086 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0412_00087 10,11,12,13,19,20,21,144,150,151,157,179,180,182,185,186,193,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820 +0412_00088 10,11,12,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,478,491,496,516,517,519,521,525,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00089 10,11,12,15,16,17,19,20,21,34,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,436,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,494,496,499,503,505,507,517,520,521,522,524,525,531,532,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,577,578,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,625,627,629,634,635,637,639,640,641,647,648,653,654,655,657,658,661,665,666,667,669,672,673,674,675,678,679,684,685,696,709,710 +0412_00090 10,11,15,19,20,21,31,34,35,284,285,286,287,294,315,345,350,352,353,354,366,367,369,375,391,392,408,412,421,440,444,449,452,541,646,647,651 +0412_00091 10,11,12,15,19,20,21,31,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,426,435,438,442,447,450,455,456,457,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00092 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,342,345,347,353,354,356,367,371,372,375,376,380,382,383,384,385,390,391,393,394,397,404,406,415,417,419,421,435,442,447,451,452,454,458,460,466,471,477,484,485,488,491,499,505,517,520,521,525,532,533,535,542,543,549,553,557,561,565,566,568,571,573,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,637,638,641,642,648,652,656,661,663,665,667,669,678,679,680,681,690,763,826 +0412_00093 10,11,12,15,16,19,20,34,284,285,286,287,294,300,302,333,334,335,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647,709,712 +0412_00094 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00095 10,11,12,13,19,20,21,144,147,148,150,151,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0412_00096 10,11,12,15,16,17,19,20,21,34,35,179,180,256,284,285,286,287,294,300,333,341,345,352,356,367,371,372,375,376,377,378,381,385,391,393,394,406,417,421,422,435,438,442,447,450,452,453,465,471,491,496,503,509,512,517,521,525,546,547,548,550,553,557,560,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0412_00097 10,11,12,15,16,17,19,20,21,34,35,144,147,179,181,182,256,257,258,259,284,285,286,287,294,300,306,333,345,350,352,353,354,356,359,360,367,369,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,413,415,417,419,421,422,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,472,473,481,484,485,488,491,494,501,505,507,508,514,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,587,595,596,597,598,604,605,609,620,624,635,637,638,641,642,648,655,656,659,661,665,667,669,672,678,679,681,685 +0412_00098 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0412_00099 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,342,345,347,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,690,762,825 +0412_00100 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,333,342,345,353,356,366,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,564,565,566,568,571,574,575,576,579,583,585,590,595,596,600,604,605,607,609,611,613,615,619,620,621,623,627,631,633,635,638,640,641,642,647,652,654,656,661,662,663,665,667,669,678,679,680,681,690,691,701,702,741,762,804,825 +0412_00101 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0412_00102 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0412_00103 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,360,367,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,415,417,419,421,431,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,473,484,485,488,491,494,505,507,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,595,596,597,598,600,604,605,609,619,620,624,635,637,638,641,642,648,655,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0412_00104 10,11,12,13,19,20,21,144,148,150,151,157,158,179,180,182,186,256,257,258,284,285,287,333,334,336,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,741,757,778,798,804,820,861 +0412_00105 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00106 10,11,19,20,31,34,35,284,285,287,294,315,345,347,350,353,354,367,369,375,408,412,413,480,508 +0412_00107 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,460,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00108 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0412_00109 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684 +0412_00110 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00111 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00112 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,284,285,286,287,333,339,341,345,346,352,366,375,376,380,390,391,392,397,398,404,419,421,451,452,454,485,488,505,520,522,541,561,573,583,593,597,614,637,646,647,648,651,655,680,684 +0412_00113 10,11,15,16,17,19,20,284,285,286,287,300,302,333,341,345,346,352,353,366,367,375,376,391,393,394,396,419,420,421,430,432,440,443,444,452,529,536,541,561,569,614,637,644,646,647,648,651,655 +0412_00114 10,11,19,20,31,34,35,284,285,287,294,315,345,350,354,367,369,375,408,412,413,426,457,508,659 +0412_00115 10,11,12,13,14,19,20,21,22,23,116,119,144,145,147,150,151,154,158,165,179,180,182,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,477,491,499,517,525,536,538,554,557,564,568,572,574,580,582,583,595,600,606,611,615,618,620,638,640,641,642,643,662,663,664,667,668,672,673,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820,825,840,841,846,861,862,867 +0412_00116 10,11,12,15,16,17,19,20,21,34,35,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,345,346,350,352,353,354,356,359,366,367,369,371,372,373,374,375,376,377,380,382,384,385,388,390,391,393,394,397,404,406,413,415,417,419,421,435,436,442,443,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,496,499,501,503,505,507,508,517,520,521,522,524,525,531,532,533,534,539,540,541,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,576,577,578,579,583,585,586,587,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,640,641,648,653,654,655,657,658,659,661,665,666,667,669,675,678,679,684 +0412_00117 10,11,12,15,19,20,31,34,179,180,186,187,256,258,284,285,286,287,293,315,333,334,342,345,347,352,353,356,357,367,371,372,375,382,383,385,408,412,417,420,430,431,435,442,447,467,471,491,499,517,521,525,542,543,549,553,557,565,569,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,677,678,679,680,681,689,690,709,710,711,715,778 +0412_00118 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0412_00119 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0412_00120 10,11,12,15,19,20,31,34,35,144,146,147,284,285,286,287,294,305,315,333,345,346,347,350,352,353,354,366,367,369,375,391,408,412,413,421,426,452,457,490,508,541,646,647 +0412_00121 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0412_00122 10,11,12,15,16,17,19,20,21,34,35,284,285,286,287,294,302,306,345,352,354,366,369,375,381,391,396,413,419,421,443,452,453,508,540,541,647 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10,11,12,15,19,179,180,184,185,186,256,284,285,286,287,300,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,431,435,438,442,447,450,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,722,736,759,785,799,822 +0412_00128 10,11,12,15,19,20,21,31,34,179,180,256,284,285,287,300,305,315,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0412_00129 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00130 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0412_00131 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,333,334,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,417,419,431,435,438,442,447,448,450,451,454,465,471,488,491,503,517,520,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,698,709,710,711,717,735,759,780,798,822 +0412_00132 10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,415,417,435,442,447,458,466,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0412_00133 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0412_00134 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0412_00135 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00136 10,11,12,15,16,19,34,35,144,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,333,334,341,345,352,354,356,357,358,359,371,372,375,377,378,384,385,387,388,391,397,404,413,417,419,421,422,431,432,435,438,442,443,447,450,454,465,471,473,474,475,476,480,481,483,486,490,491,496,500,501,503,507,508,509,517,521,524,525,531,534,539,540,546,547,548,550,553,556,557,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0412_00137 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00138 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,333,334,336,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,396,402,406,417,421,424,431,435,438,442,447,450,453,455,456,465,471,477,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,564,565,566,567,571,574,575,579,583,585,590,593,594,595,596,600,601,602,604,605,607,608,609,611,616,619,620,623,627,634,635,638,641,642,650,652,656,661,662,665,666,667,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713,722,738,750,757,764,785,801,813,820,827 +0412_00139 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,335,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,712,713,717,738,750,771,780,801,813,834 +0412_00140 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0412_00141 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,689,690,692,703,704,709,710,711,738,743,801,806 +0412_00142 10,11,15,16,19,20,21,31,34,35,144,146,147,256,257,284,286,287,294,301,315,366,367,369,375,391,397,406,408,412,413,419,421,422,423,452,454,468,476,490,497,509,519,522,541,647 +0412_00143 10,11,12,13,15,179,180,181,182,186,256,284,285,286,333,334,335,336,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0412_00144 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,350,352,353,354,356,357,359,367,369,371,372,375,376,377,380,381,382,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,485,488,491,494,496,499,503,505,507,517,520,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,609,614,619,620,622,624,627,629,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0412_00145 10,11,12,13,19,20,21,22,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,574,580,583,595,600,615,618,620,638,640,641,661,663,664,667,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,841,846,861,862,867 +0412_00146 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,560,565,566,568,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,631,633,634,635,638,639,641,642,644,646,652,653,656,658,661,663,665,666,667,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0412_00147 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0412_00148 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00149 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0412_00150 10,11,12,13,15,19,20,21,144,147,179,180,256,257,258,284,285,286,287,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,385,391,392,406,410,417,421,431,433,435,437,438,440,441,442,444,447,449,450,452,453,463,465,471,477,491,494,496,499,517,521,525,536,537,538,541,542,543,546,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,603,604,605,606,607,608,609,614,615,616,619,620,621,624,627,629,633,634,635,638,641,642,646,647,652,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,692,694,695,696,698,703,709,710,711,735,759,798,822 +0412_00151 10,11,12,15,19,20,21,31,34,35,144,149,150,179,180,256,284,285,286,287,294,315,333,334,345,352,353,356,357,366,367,369,371,372,375,385,391,392,408,412,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,651,657,661,665,669,672,673,678,679,680,684,685,686,688,689,693,697,705,709,710,711,713,756,819 +0412_00152 10,11,12,19,20,21,34,144,150,179,180,256,284,285,287,294,333,334,335,342,345,347,348,353,356,357,367,368,369,371,372,375,381,382,383,385,406,415,417,431,435,442,447,458,459,460,471,477,491,499,517,521,525,542,543,549,553,557,564,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,611,615,619,620,621,627,633,635,638,641,642,652,656,661,662,665,667,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,720,736,757,783,799,820 +0412_00153 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,735,736,798,799 +0412_00154 10,11,12,13,15,19,20,144,147,179,180,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,541,564,567,568,583,611,614,615,616,638,639,657,660,662,663,680,681,689,690,697,698,700,709,710,711,712,713,778 +0412_00155 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 +0412_00156 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0412_00157 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00158 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0412_00159 10,11,12,19,20,21,116,119,144,145,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,353,367,375,406,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,568,572,574,580,583,595,600,615,618,620,638,640,641,642,661,663,664,667,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,841,846,861,862,867 +0412_00160 10,11,12,15,19,20,21,31,34,179,180,186,187,256,258,284,285,286,287,293,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00161 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0412_00162 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,442,444,447,452,453,465,471,491,517,521,525,529,536,537,541,550,553,557,560,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,613,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,689,697,698,709,710,711,714,777 +0412_00163 10,11,12,15,16,19,20,31,34,144,146,147,179,180,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,366,367,371,372,374,375,376,377,378,380,385,390,391,397,404,408,412,417,419,423,435,438,442,447,448,450,451,454,465,468,471,478,483,485,487,488,491,492,496,497,503,505,516,517,518,520,521,522,525,541,546,547,550,553,557,561,565,571,573,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,655,658,661,665,666,669,675,678,679,680,684 +0412_00164 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,315,345,347,350,352,353,354,366,367,369,375,381,391,392,406,408,412,421,440,444,452,453,541,613,646,647,651 +0412_00165 10,11,12,15,16,17,19,20,34,179,181,182,256,257,284,285,286,287,300,306,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,404,417,419,431,432,438,442,443,450,451,454,459,460,465,473,483,485,488,491,496,499,505,507,520,524,525,529,531,539,540,541,542,546,549,550,556,557,561,571,573,574,575,583,586,593,594,596,597,601,602,607,609,614,620,622,629,634,635,637,638,639,641,644,652,653,655,658,661,666,669,675,679,680,681,684,689,690,709,710,711 +0412_00166 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0412_00167 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,347,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0412_00168 10,11,12,19,20,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,408,412,426,457 +0412_00169 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0412_00170 10,11,12,15,19,179,180,256,284,285,286,287,333,334,335,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,689,709,710,711 +0412_00171 10,11,12,15,19,20,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,417,426,431,435,442,447,457,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0412_00172 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,345,352,353,356,357,371,372,375,385,391,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,516,517,519,521,523,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,735,777,798 +0412_00173 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,418,419,428,432,435,438,442,443,447,450,451,454,461,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 diff --git a/processed_data/0412/0412_gradient.tsv b/processed_data/0412/0412_gradient.tsv new file mode 100644 index 000000000..94054e3d3 --- /dev/null +++ b/processed_data/0412/0412_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +8 0.3 0 100 +12 0.3 0 100 diff --git a/processed_data/0412/0412_info.tsv b/processed_data/0412/0412_info.tsv new file mode 100644 index 000000000..c4e0bbe2e --- /dev/null +++ b/processed_data/0412/0412_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0412 10.1016/j.foodchem.2015.11.070 Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich ROASMI_61 diff --git a/processed_data/0412/0412_metadata.tsv b/processed_data/0412/0412_metadata.tsv new file mode 100644 index 000000000..a5419e284 --- /dev/null +++ b/processed_data/0412/0412_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0412 Thermo Scientific Hypersil GOLD aQ L1 100 2.1 1.9 30 0.3 0.735 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 0 100 0 0 diff --git a/processed_data/0412/0412_report_canonical.pdf b/processed_data/0412/0412_report_canonical.pdf new file mode 100644 index 000000000..af2e06bfb Binary files /dev/null and b/processed_data/0412/0412_report_canonical.pdf differ diff --git a/processed_data/0412/0412_report_isomeric.pdf b/processed_data/0412/0412_report_isomeric.pdf new file mode 100644 index 000000000..8491d3976 Binary files /dev/null and b/processed_data/0412/0412_report_isomeric.pdf differ diff --git a/processed_data/0412/0412_rtdata_canonical_success.tsv b/processed_data/0412/0412_rtdata_canonical_success.tsv new file mode 100644 index 000000000..4611c07a5 --- /dev/null +++ b/processed_data/0412/0412_rtdata_canonical_success.tsv @@ -0,0 +1,174 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0412_00001 C4H10NO3PS 1.585 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00002 C6H12N2O3 1.58 CN(C)NC(=O)CCC(=O)O InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) NOQGZXFMHARMLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0412_00003 C2H8NO2PS 1.58 COP(=O)(N)SC InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) NNKVPIKMPCQWCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) Phosphoramidothioic-acid-O,S-diesters (CHEMONTID:0004665) NA (NA) NA (NA) +0412_00004 C10H11N5O 1.58 CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16) QHMTXANCGGJZRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0412_00005 C5H12NO4PS 1.795 CNC(=O)CSP(=O)(OC)OC InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7) PZXOQEXFMJCDPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0412_00006 C12H17O4PS2 10.06 CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 XAMUDJHXFNRLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00007 C8H20O5P2S2 10.07 CCOP(=S)(OCC)OP(=S)(OCC)OCC InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 XIUROWKZWPIAIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +0412_00008 C18H19NO4 10.1 CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3 ZOTBXTZVPHCKPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0412_00009 C9H19NOS 10.145 CCCN(CCC)C(=O)SCC InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3 GUVLYNGULCJVDO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0412_00010 C22H18N2O4 10.185 CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4 InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 PCCSBWNGDMYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00011 C22H28O5 10.31 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3 VJFUPGQZSXIULQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) Pyrethrins (CHEMONTID:0001724) +0412_00012 C12H15N2O3PS 10.195 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 JYQUHIFYBATCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0412_00013 C20H23NO3 10.215 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 CJPQIRJHIZUAQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00014 C10H17N2O4PS 10.22 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3 FGIWFCGDPUIBEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00015 C14H21NO3 10.225 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3 QTDRLOKFLJJHTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furan-3-carboxylic acid and derivatives (CHEMONTID:0004759) NA (NA) +0412_00016 C12H21N2O3PS 10.235 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00017 C10H15O3PS2 10.25 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 PNVJTZOFSHSLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00018 C14H15N3 10.28 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00019 C41H65NO10 10.27 CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 SRJQTHAZUNRMPR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0412_00020 C17H27NO3S 10.47 CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCSC2)O InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3 GGWHBJGBERXSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0412_00021 C20H23N3O2 10.32 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3 VGPIBGGRCVEHQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0412_00022 C11H20N3O3PS 10.32 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00023 C23H22O6 10.335 CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3 JUVIOZPCNVVQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0412_00024 C14H20N3O5PS 10.39 CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3 JOOMJVFZQRQWKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0412_00025 C8H19O2PS3 10.43 CCOP(=S)(OCC)SCCSCC InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 DOFZAZXDOSGAJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00026 C10H23O2PS2 10.46 CCC(C)SP(=O)(OCC)SC(C)CC InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3 KXRPCFINVWWFHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00027 C11H21NOS 10.57 CCN(C1CCCCC1)C(=O)SCC InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 DFCAFRGABIXSDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0412_00028 C14H21NOS 10.635 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00029 C18H26N2O5S 10.64 CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3 HAWJXYBZNNRMNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00030 C19H25NO4 10.68 CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3 CXBMCYHAMVGWJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0412_00031 C16H23N3OS 10.695 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0412_00032 C13H24N3O3PS 10.725 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3 TZBPRYIIJAJUOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00033 C17H29NO3S 10.73 CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)O InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3 CSPPKDPQLUUTND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0412_00034 C19H26O3 10.76 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 ZCVAOQKBXKSDMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0412_00035 C9H22O4P2S4 10.775 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 RIZMRRKBZQXFOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00036 C19H30O5 10.795 CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3 FIPWRIJSWJWJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0412_00037 C20H32N2O3S 11.1 CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3 JLQUFIHWVLZVTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00038 C20H19NO3 10.905 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00039 C23H30O4 10.93 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3 GOLXNESZZPUPJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00040 C19H26O4S 10.95 CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3 ZYHMJXZULPZUED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00041 C12H19O2PS3 10.985 CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3 JXHJNEJVUNHLKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00042 C23H32N2OS 11.01 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) WOWBFOBYOAGEEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00043 C22H23NO3 11.01 CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 XQUXKZZNEFRCAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00044 C21H28O3 11.035 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3 ROVGZAWFACYCSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) Pyrethrins (CHEMONTID:0001724) +0412_00045 C13H19N3O4 11.075 CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0412_00046 C24H27N3O4 11.22 CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3 YYJNOYZRYGDPNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0412_00047 C25H28O3 11.73 CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3 YREQHYQNNWYQCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00048 C20H22N2O 11.805 CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32 InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3 DMYHGDXADUDKCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0412_00049 C49H75NO13 11.925 CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3 CXEGAUYXQAKHKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0412_00050 C21H21O4P 11.94 CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3 BOSMZFBHAYFUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0412_00051 C7H14N2O3S 3.055 CC(C)(C=NOC(=O)NC)S(=O)C InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10) BXPMAGSOWXBZHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0412_00052 C7H14N2O3S 3.055 CC(C(=NOC(=O)NC)C)S(=O)C InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10) RCTCYOQIGNPQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00053 C9H20N2O2 5.165 CCCOC(=O)NCCCN(C)C InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) WZZLDXDUQPOXNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0412_00054 C4H5NO2 5.67 CC1=CC(=O)NO1 InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6) KGVPNLBXJKTABS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Isoxazoles (CHEMONTID:0000081) NA (NA) NA (NA) +0412_00055 C7H13N3O3S 5.755 CNC(=O)ON=C(C(=O)N(C)C)SC InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12) KZAUOCCYDRDERY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Tertiary carboxylic acid amides (CHEMONTID:0001664) +0412_00056 C6H15O4PS2 6.04 CCS(=O)CCSP(=O)(OC)OC InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3 PMCVMORKVPSKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0412_00057 C5H10N2O2S 6.055 CC(=NOC(=O)NC)SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) UHXUZOCRWCRNSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0412_00058 C6H15O5PS2 6.135 CCS(=O)(=O)CCSP(=O)(OC)OC InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3 PZIRJMYRYORVIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0412_00059 C9H18N2O3S 6.31 CC(C)(C)C(=NOC(=O)NC)CS(=O)C InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12) NLMRMVVMKCKWFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00060 C9H9N3O2 6.3 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0412_00061 C12H11N 6.3 C1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H DMBHHRLKUKUOEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00062 C7H14NO5P 6.575 CC(=CC(=O)NC)OP(=O)(OC)OC InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9) KRTSDMXIXPKRQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0412_00063 C8H16NO5P 6.635 CC(=CC(=O)N(C)C)OP(=O)(OC)OC InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3 VEENJGZXVHKXNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0412_00064 C13H15N3O3 6.79 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00065 C10H15OPS2 6.8 CCOP(=S)(CC)SC1=CC=CC=C1 InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 KVGLBTYUCJYMND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00066 C9H18N2O4S 6.925 CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12) PZOIECHFNQBYRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00067 C10H7N3S 6.96 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0412_00068 C11H15NO4S 6.955 CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13) RJBJMKAMQIOAML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00069 C11H15NO4S 7.005 CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) IOPTXXRNXCPJGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00070 C11H15NO3S 7.09 CCS(=O)CC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) OMOLDRXZKFFGJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00071 C11H15NO3S 7.09 CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13) FNCMBMZOZQAWJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00072 C12H15NO4 7.105 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00073 C8H18NO4PS2 7.105 CC(C(=O)NC)SCCSP(=O)(OC)OC InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10) LESVOLZBIFDZGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0412_00074 C5H12NO3PS2 7.18 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00075 C10H10N4O 7.23 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0412_00076 C9H21O2PS3 7.2 CCOP(=S)(OCC)SCSC(C)(C)C InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3 XLNZEKHULJKQBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00077 C7H14N2O4S 7.365 CC(C)(C=NOC(=O)NC)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10) YRRKLBAKDXSTNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0412_00078 C7H14N2O4S 7.365 CC(C(=NOC(=O)NC)C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10) CTJBHIROCMPUKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0412_00079 C34H59NO14 7.455 CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47) UXDPXZQHTDAXOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0412_00080 C7H13O6P 7.655 CC(=CC(=O)OC)OP(=O)(OC)OC InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3 GEPDYQSQVLXLEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00081 C17H14O7 7.805 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3 WPCVRWVBBXIRMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00082 C11H15N3O2 7.905 CNC(=O)OC1=CC=CC(=C1)N=CN(C)C InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15) RMFNNCGOSPBBAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00083 C11H18N4O2 7.905 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0412_00084 C15H24NO4PS 7.91 CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) HOQADATXFBOEGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00085 C7H14N2O2S 7.89 CC(C)(C=NOC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0412_00086 C7H14N2O2S 7.89 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00087 C17H12O7 8 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00088 C14H18N2O4 8.04 CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 UWVQIROCRJWDKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0412_00089 C15H18N6O6S 8.01 CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) RTCOGUMHFFWOJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0412_00090 C6H12NO4PS2 8.065 CN(C=O)C(=O)CSP(=S)(OC)OC InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3 AIKKULXCBHRFOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid imides (CHEMONTID:0001657) N-substituted carboxylic acid imides (CHEMONTID:0001658) +0412_00091 C8H10NO6P 8.115 COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 BAFQDKPJKOLXFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0412_00092 C15H19N5O7S 8.14 COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21) WMLPCIHUFDKWJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0412_00093 C9H18N2O2S 8.205 CC(C)(C)C(=NOC(=O)NC)CSC InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12) FZSVSABTBYGOQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0412_00094 C10H12N2O3S 8.26 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0412_00095 C17H14O6 8.26 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3 WWSYXEZEXMQWHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00096 C12H14N4O4S2 8.315 COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) QGHREAKMXXNCOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00097 C12H13N5O6S2 8.32 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) AHTPATJNIAFOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) Thiophene carboxylic acids and derivatives (CHEMONTID:0002017) NA (NA) NA (NA) +0412_00098 C22H32O8 8.345 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3 PNKLMTPXERFKEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00099 C11H15NO3 8.36 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0412_00100 C11H13NO4 8.405 CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13) XEGGRYVFLWGFHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0412_00101 C12H15NO3 8.415 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00102 C8H14N4OS 8.415 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0412_00103 C14H15N5O6S 8.425 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) RSMUVYRMZCOLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00104 C17H12O6 8.44 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3 OQIQSTLJSLGHID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00105 C13H22NO4PS 8.44 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) LUQMWGMGWJEGAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl sulfoxides (CHEMONTID:0004632) NA (NA) NA (NA) +0412_00106 C7H17O2PS3 8.44 CCOP(=S)(OCC)SCSCC InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3 BULVZWIRKLYCBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00107 C13H22NO5PS 8.51 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15) LVNYJXIBJFXIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0412_00108 C12H11NO2 8.605 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0412_00109 C10H13NO2 8.605 CC(C)OC(=O)NC1=CC=CC=C1 InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12) VXPLXMJHHKHSOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00110 C8H15N5S 8.62 CC(C)NC1=NC(=NC(=N1)NC)SC InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13) HCRWJJJUKUVORR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00111 C8H15N5S 8.62 CCNC1=NC(=NC(=N1)SC)NCC InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) MGLWZSOBALDPEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00112 C12H20N4O2 8.605 CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 CAWXEEYDBZRFPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0412_00113 C7H10N4O3 8.63 CCNC(=O)NC(=O)C(=NOC)C#N InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13) XERJKGMBORTKEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oximes (CHEMONTID:0000411) Oxime ethers (CHEMONTID:0001010) NA (NA) +0412_00114 C6H15O3PS2 8.74 CCSCCSP(=O)(OC)OC InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3 WEBQKRLKWNIYKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00115 C35H44O16 8.67 CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3 FTNJWQUOZFUQQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) Limonoids (CHEMONTID:0002380) NA (NA) +0412_00116 C14H17N5O7S2 8.71 CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20) MEFOUWRMVYJCQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0412_00117 C15H14NO2PS 8.725 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3 LRNJHZNPJSPMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0412_00118 C11H15NO2S 8.755 CCSCC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) HEZNVIYQEUHLNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00119 C11H15NO2S 8.755 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00120 C9H18NO3PS2 8.81 CCC(C)SP(=O)(N1CCSC1=O)OCC InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3 DUFVKSUJRWYZQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Thiazolidines (CHEMONTID:0000226) NA (NA) NA (NA) +0412_00121 C10H19N5O 8.88 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0412_00122 C10H18N4O4S3 8.88 CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3 XDOTVMNBCQVZKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0412_00123 C8H19O4PS3 8.895 CCOP(=S)(OCC)SCCS(=O)(=O)CC InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3 BKVJOVPVLOJPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00124 C8H19O3PS3 8.895 CCOP(=S)(OCC)SCCS(=O)CC InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3 UPUGLJYNCXXUQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00125 C6H15O2PS3 8.94 CCSCCSP(=S)(OC)OC InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3 OPASCBHCTNRLRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00126 C14H22NO4PS 8.98 CC(C)NP(=S)(OC)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21) IXTOWLKEARFCCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00127 C14H19NO 9.075 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 DECIPOUIJURFOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0412_00128 C11H16NO4PS 9.035 CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18) YFVOXLJXJBQDEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00129 C15H21NO4 9.04 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00130 C15H21NO4 9.04 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00131 C19H23N3 9.09 CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3 QXAITBQSYVNQDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0412_00132 C11H17O4PS2 9.095 CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3 XDNBJTQLKCIJBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00133 C13H18N2O2 9.11 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0412_00134 C12H18N2O 9.15 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0412_00135 C9H17N5S 9.175 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00136 C10H6N2OS2 9.19 CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3 InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3 FBQQHUGEACOBDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0412_00137 C10H14NO5PS 9.21 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00138 C14H18N2O7 9.22 CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3 HDWLUGYOLUHEMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0412_00139 C14H21N3O4 9.23 CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-] InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3 SPNQRCTZKIBOAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0412_00140 C16H16N2O4 9.23 CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2 InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) WZJZMXBKUWKXTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00141 C16H16N2O4 9.23 CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) IDOWTHOLJBTAFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00142 C6H11N2O4PS3 9.26 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0412_00143 C19H31N 9.285 CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2 InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3 MGNFYQILYYYUBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00144 C16H18N4O7S 9.3 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00145 C24H34O9 9.3 CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3 BXFOFFBJRFZBQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00146 C14H21NO4 9.37 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00147 C20H33NO 9.375 CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3 RYAUSSKQMZRMAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00148 C10H12N3O3PS2 9.385 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0412_00149 C17H19NO4 9.385 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00150 C17H19NO4 9.385 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2 InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3 CIEXPHRYOLIQQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Furanilides (CHEMONTID:0004755) +0412_00151 C11H12NO4PS2 9.395 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 LMNZTLDVJIUSHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) Phthalimides (CHEMONTID:0004749) +0412_00152 C13H18O5S 9.42 CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3 IRCMYGHHKLLGHV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00153 C12H17NO2 9.52 CC1=CC(=CC(=C1)OC(=O)NC)C(C)C InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14) DTAPQAJKAFRNJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00154 C18H35NO2 9.58 CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3 PUYXTUJWRLOUCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0412_00155 C12H13N3 9.595 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00156 C10H19O6PS2 9.59 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00157 C10H19N5S 9.65 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00158 C10H19N5S 9.65 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00159 C15H20O6 9.63 CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3 LINOMUASTDIRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00160 C14H14NO4PS 9.715 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 AIGRXSNSLVJMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0412_00161 C14H17N2O4PS 9.715 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0412_00162 C18H28N2O3 9.735 CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22) NWUWYYSKZYIQAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00163 C12H16N3O3PS 9.785 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 AMFGTOFWMRQMEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,4-triazoles (CHEMONTID:0003314) +0412_00164 C10H20NO5PS2 9.84 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3 KLGMSAOQDHLCOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00165 C13H24N4O3S 9.87 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0412_00166 C18H22O5 9.87 CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3 MBMQEIFVQACCCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0412_00167 C12H16N3O3PS2 9.92 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3 RQVGAIADHNPSME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0412_00168 C8H19O2PS2 9.93 CCCSP(=O)(OCC)SCCC InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 VJYFKVYYMZPMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00169 C8H10NO5PS 9.96 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 RLBIQVVOMOPOHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00170 C15H23NO 9.965 CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 RJKCKKDSSSRYCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00171 C13H22NO3PS 9.995 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00172 C22H28N2O2 9.995 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25) QYPNKSZPJQQLRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0412_00173 C14H13N3 10.035 CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2 InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17) CIFWZNRJIBNXRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) diff --git a/processed_data/0412/0412_rtdata_isomeric_success.tsv b/processed_data/0412/0412_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..1e02c443b --- /dev/null +++ b/processed_data/0412/0412_rtdata_isomeric_success.tsv @@ -0,0 +1,174 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0412_00001 C4H10NO3PS 1.585 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00002 C6H12N2O3 1.58 CN(C)NC(=O)CCC(=O)O InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) NOQGZXFMHARMLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0412_00003 C2H8NO2PS 1.58 COP(=O)(N)SC InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) NNKVPIKMPCQWCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) Phosphoramidothioic-acid-O,S-diesters (CHEMONTID:0004665) NA (NA) NA (NA) +0412_00004 C10H11N5O 1.58 CC1=NNC(=O)N(C1)/N=C\C2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6- QHMTXANCGGJZRX-SDQBBNPISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0412_00005 C5H12NO4PS 1.795 CNC(=O)CSP(=O)(OC)OC InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7) PZXOQEXFMJCDPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0412_00006 C12H17O4PS2 10.06 CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 XAMUDJHXFNRLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00007 C8H20O5P2S2 10.07 CCOP(=S)(OCC)OP(=S)(OCC)OCC InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 XIUROWKZWPIAIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +0412_00008 C18H19NO4 10.1 CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N/OC)/C(=O)OC InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17- ZOTBXTZVPHCKPN-ZPHPHTNESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0412_00009 C9H19NOS 10.145 CCCN(CCC)C(=O)SCC InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3 GUVLYNGULCJVDO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0412_00010 C22H18N2O4 10.185 CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4 InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 PCCSBWNGDMYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00011 C22H28O5 10.31 CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1 VJFUPGQZSXIULQ-XIGJTORUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) Pyrethrins (CHEMONTID:0001724) +0412_00012 C12H15N2O3PS 10.195 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 JYQUHIFYBATCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0412_00013 C20H23NO3 10.215 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 CJPQIRJHIZUAQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00014 C10H17N2O4PS 10.22 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3 FGIWFCGDPUIBEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00015 C14H21NO3 10.225 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3 QTDRLOKFLJJHTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furan-3-carboxylic acid and derivatives (CHEMONTID:0004759) NA (NA) +0412_00016 C12H21N2O3PS 10.235 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00017 C10H15O3PS2 10.25 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 PNVJTZOFSHSLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00018 C14H15N3 10.28 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00019 C41H65NO10 10.27 CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 SRJQTHAZUNRMPR-UYQKXTDMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0412_00020 C17H27NO3S 10.47 CCC/C(=N/OCC)/C1=C(CC(CC1=O)C2CCCSC2)O InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14- GGWHBJGBERXSLL-JXAWBTAJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0412_00021 C20H23N3O2 10.32 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3 VGPIBGGRCVEHQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0412_00022 C11H20N3O3PS 10.32 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00023 C23H22O6 10.335 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 JUVIOZPCNVVQFO-HBGVWJBISA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0412_00024 C14H20N3O5PS 10.39 CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3 JOOMJVFZQRQWKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0412_00025 C8H19O2PS3 10.43 CCOP(=S)(OCC)SCCSCC InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3 DOFZAZXDOSGAJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00026 C10H23O2PS2 10.46 CCC(C)SP(=O)(OCC)SC(C)CC InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3 KXRPCFINVWWFHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00027 C11H21NOS 10.57 CCN(C1CCCCC1)C(=O)SCC InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 DFCAFRGABIXSDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0412_00028 C14H21NOS 10.635 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00029 C18H26N2O5S 10.64 CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3 HAWJXYBZNNRMNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00030 C19H25NO4 10.68 CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3 CXBMCYHAMVGWJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0412_00031 C16H23N3OS 10.695 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0412_00032 C13H24N3O3PS 10.725 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3 TZBPRYIIJAJUOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0412_00033 C17H29NO3S 10.73 CCC/C(=N/OCC)/C1=C(CC(CC1=O)CC(C)SCC)O InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14- CSPPKDPQLUUTND-JXAWBTAJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0412_00034 C19H26O3 10.76 CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1 ZCVAOQKBXKSDMS-AQYZNVCMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0412_00035 C9H22O4P2S4 10.775 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 RIZMRRKBZQXFOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00036 C19H30O5 10.795 CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3 FIPWRIJSWJWJAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0412_00037 C20H32N2O3S 11.1 CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3 JLQUFIHWVLZVTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00038 C20H19NO3 10.905 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00039 C23H30O4 10.93 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3 GOLXNESZZPUPJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00040 C19H26O4S 10.95 CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3 ZYHMJXZULPZUED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00041 C12H19O2PS3 10.985 CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3 JXHJNEJVUNHLKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00042 C23H32N2OS 11.01 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) WOWBFOBYOAGEEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00043 C22H23NO3 11.01 CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 XQUXKZZNEFRCAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00044 C21H28O3 11.035 CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1 ROVGZAWFACYCSP-VUMXUWRFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) Pyrethrins (CHEMONTID:0001724) +0412_00045 C13H19N3O4 11.075 CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0412_00046 C24H27N3O4 11.22 CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15- YYJNOYZRYGDPNH-MYYYXRDXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0412_00047 C25H28O3 11.73 CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3 YREQHYQNNWYQCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00048 C20H22N2O 11.805 CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32 InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3 DMYHGDXADUDKCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0412_00049 C49H75NO13 11.925 CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)NC)OC)OC)\C)C InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1 CXEGAUYXQAKHKJ-NSBHKLITSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0412_00050 C21H21O4P 11.94 CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3 BOSMZFBHAYFUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0412_00051 C7H14N2O3S 3.055 CC(C)(/C=N\OC(=O)NC)S(=O)C InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- BXPMAGSOWXBZHS-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00052 C7H14N2O3S 3.055 CC(/C(=N\OC(=O)NC)/C)S(=O)C InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5- RCTCYOQIGNPQJH-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00053 C9H20N2O2 5.165 CCCOC(=O)NCCCN(C)C InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) WZZLDXDUQPOXNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0412_00054 C4H5NO2 5.67 CC1=CC(=O)NO1 InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6) KGVPNLBXJKTABS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Isoxazoles (CHEMONTID:0000081) NA (NA) NA (NA) +0412_00055 C7H13N3O3S 5.755 CNC(=O)O/N=C(\C(=O)N(C)C)/SC InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5+ KZAUOCCYDRDERY-WEVVVXLNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Tertiary carboxylic acid amides (CHEMONTID:0001664) +0412_00056 C6H15O4PS2 6.04 CCS(=O)CCSP(=O)(OC)OC InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3 PMCVMORKVPSKHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0412_00057 C5H10N2O2S 6.055 C/C(=N/OC(=O)NC)/SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4- UHXUZOCRWCRNSJ-DAXSKMNVSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfenyl compounds (CHEMONTID:0003260) NA (NA) NA (NA) NA (NA) +0412_00058 C6H15O5PS2 6.135 CCS(=O)(=O)CCSP(=O)(OC)OC InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3 PZIRJMYRYORVIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0412_00059 C9H18N2O3S 6.31 CC(C)(C)/C(=N\OC(=O)NC)/CS(=O)C InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7- NLMRMVVMKCKWFL-XFFZJAGNSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00060 C9H9N3O2 6.3 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0412_00061 C12H11N 6.3 C1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H DMBHHRLKUKUOEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00062 C7H14NO5P 6.575 C/C(=C\C(=O)NC)/OP(=O)(OC)OC InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+ KRTSDMXIXPKRQR-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0412_00063 C8H16NO5P 6.635 C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+ VEENJGZXVHKXNB-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0412_00064 C13H15N3O3 6.79 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00065 C10H15OPS2 6.8 CCOP(=S)(CC)SC1=CC=CC=C1 InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 KVGLBTYUCJYMND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00066 C9H18N2O4S 6.925 CC(C)(C)/C(=N\OC(=O)NC)/CS(=O)(=O)C InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7- PZOIECHFNQBYRT-XFFZJAGNSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00067 C10H7N3S 6.96 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0412_00068 C11H15NO4S 6.955 CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13) RJBJMKAMQIOAML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00069 C11H15NO4S 7.005 CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) IOPTXXRNXCPJGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00070 C11H15NO3S 7.09 CCS(=O)CC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) OMOLDRXZKFFGJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00071 C11H15NO3S 7.09 CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13) FNCMBMZOZQAWJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00072 C12H15NO4 7.105 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00073 C8H18NO4PS2 7.105 CC(C(=O)NC)SCCSP(=O)(OC)OC InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10) LESVOLZBIFDZGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0412_00074 C5H12NO3PS2 7.18 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00075 C10H10N4O 7.23 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0412_00076 C9H21O2PS3 7.2 CCOP(=S)(OCC)SCSC(C)(C)C InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3 XLNZEKHULJKQBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00077 C7H14N2O4S 7.365 CC(C)(/C=N\OC(=O)NC)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- YRRKLBAKDXSTNC-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00078 C7H14N2O4S 7.365 CC(/C(=N\OC(=O)NC)/C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5- CTJBHIROCMPUKL-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00079 C34H59NO14 7.455 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1 UXDPXZQHTDAXOZ-STOIETHLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Fumonisins (CHEMONTID:0001792) NA (NA) NA (NA) +0412_00080 C7H13O6P 7.655 C/C(=C\C(=O)OC)/OP(=O)(OC)OC InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+ GEPDYQSQVLXLEU-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00081 C17H14O7 7.805 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WPCVRWVBBXIRMA-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00082 C11H15N3O2 7.905 CNC(=O)OC1=CC=CC(=C1)N=CN(C)C InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15) RMFNNCGOSPBBAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00083 C11H18N4O2 7.905 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0412_00084 C15H24NO4PS 7.91 CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) HOQADATXFBOEGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00085 C7H14N2O2S 7.89 CC(C)(/C=N\OC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- QGLZXHRNAYXIBU-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00086 C7H14N2O2S 7.89 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0412_00087 C17H12O7 8 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3 XWIYFDMXXLINPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00088 C14H18N2O4 8.04 CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 UWVQIROCRJWDKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0412_00089 C15H18N6O6S 8.01 CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) RTCOGUMHFFWOJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0412_00090 C6H12NO4PS2 8.065 CN(C=O)C(=O)CSP(=S)(OC)OC InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3 AIKKULXCBHRFOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid imides (CHEMONTID:0001657) N-substituted carboxylic acid imides (CHEMONTID:0001658) +0412_00091 C8H10NO6P 8.115 COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 BAFQDKPJKOLXFZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0412_00092 C15H19N5O7S 8.14 COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21) WMLPCIHUFDKWJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0412_00093 C9H18N2O2S 8.205 CC(C)(C)C(=NOC(=O)NC)CSC InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12) FZSVSABTBYGOQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0412_00094 C10H12N2O3S 8.26 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0412_00095 C17H14O6 8.26 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 WWSYXEZEXMQWHT-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00096 C12H14N4O4S2 8.315 COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) QGHREAKMXXNCOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00097 C12H13N5O6S2 8.32 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) AHTPATJNIAFOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) Thiophene carboxylic acids and derivatives (CHEMONTID:0002017) NA (NA) NA (NA) +0412_00098 C22H32O8 8.345 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1 PNKLMTPXERFKEN-MLXHEQMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00099 C11H15NO3 8.36 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0412_00100 C11H13NO4 8.405 CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13) XEGGRYVFLWGFHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0412_00101 C12H15NO3 8.415 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00102 C8H14N4OS 8.415 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0412_00103 C14H15N5O6S 8.425 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) RSMUVYRMZCOLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00104 C17H12O6 8.44 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 OQIQSTLJSLGHID-WNWIJWBNSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Furanocoumarins (CHEMONTID:0000358) Angular furanocoumarins (CHEMONTID:0002568) Aflatoxins (CHEMONTID:0000149) +0412_00105 C13H22NO4PS 8.44 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) LUQMWGMGWJEGAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl sulfoxides (CHEMONTID:0004632) NA (NA) NA (NA) +0412_00106 C7H17O2PS3 8.44 CCOP(=S)(OCC)SCSCC InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3 BULVZWIRKLYCBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00107 C13H22NO5PS 8.51 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15) LVNYJXIBJFXIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0412_00108 C12H11NO2 8.605 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0412_00109 C10H13NO2 8.605 CC(C)OC(=O)NC1=CC=CC=C1 InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12) VXPLXMJHHKHSOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00110 C8H15N5S 8.62 CC(C)NC1=NC(=NC(=N1)NC)SC InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13) HCRWJJJUKUVORR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00111 C8H15N5S 8.62 CCNC1=NC(=NC(=N1)SC)NCC InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) MGLWZSOBALDPEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00112 C12H20N4O2 8.605 CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 CAWXEEYDBZRFPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0412_00113 C7H10N4O3 8.63 CCNC(=O)NC(=O)/C(=N\OC)/C#N InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5- XERJKGMBORTKEO-WZUFQYTHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) Ureides (CHEMONTID:0002022) N-acyl ureas (CHEMONTID:0002023) +0412_00114 C6H15O3PS2 8.74 CCSCCSP(=O)(OC)OC InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3 WEBQKRLKWNIYKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00115 C35H44O16 8.67 C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1 FTNJWQUOZFUQQJ-NDAWSKJSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) Limonoids (CHEMONTID:0002380) NA (NA) +0412_00116 C14H17N5O7S2 8.71 CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20) MEFOUWRMVYJCQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0412_00117 C15H14NO2PS 8.725 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3 LRNJHZNPJSPMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0412_00118 C11H15NO2S 8.755 CCSCC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) HEZNVIYQEUHLNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00119 C11H15NO2S 8.755 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00120 C9H18NO3PS2 8.81 CCC(C)SP(=O)(N1CCSC1=O)OCC InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3 DUFVKSUJRWYZQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Thiazolidines (CHEMONTID:0000226) NA (NA) NA (NA) +0412_00121 C10H19N5O 8.88 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0412_00122 C10H18N4O4S3 8.88 C/C(=N/OC(=O)N(SN(C(=O)O/N=C(\SC)/C)C)C)/SC InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8- XDOTVMNBCQVZKG-OXAWKVHCSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfenyl compounds (CHEMONTID:0003260) NA (NA) NA (NA) NA (NA) +0412_00123 C8H19O4PS3 8.895 CCOP(=S)(OCC)SCCS(=O)(=O)CC InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3 BKVJOVPVLOJPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00124 C8H19O3PS3 8.895 CCOP(=S)(OCC)SCCS(=O)CC InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3 UPUGLJYNCXXUQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00125 C6H15O2PS3 8.94 CCSCCSP(=S)(OC)OC InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3 OPASCBHCTNRLRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00126 C14H22NO4PS 8.98 CC(C)NP(=S)(OC)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21) IXTOWLKEARFCCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00127 C14H19NO 9.075 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 DECIPOUIJURFOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0412_00128 C11H16NO4PS 9.035 CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18) YFVOXLJXJBQDEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00129 C15H21NO4 9.04 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00130 C15H21NO4 9.04 CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1 ZQEIXNIJLIKNTD-GFCCVEGCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0412_00131 C19H23N3 9.09 CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3 QXAITBQSYVNQDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0412_00132 C11H17O4PS2 9.095 CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3 XDNBJTQLKCIJBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00133 C13H18N2O2 9.11 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0412_00134 C12H18N2O 9.15 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0412_00135 C9H17N5S 9.175 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00136 C10H6N2OS2 9.19 CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3 InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3 FBQQHUGEACOBDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0412_00137 C10H14NO5PS 9.21 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00138 C14H18N2O7 9.22 CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3 HDWLUGYOLUHEMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0412_00139 C14H21N3O4 9.23 CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-] InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3 SPNQRCTZKIBOAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0412_00140 C16H16N2O4 9.23 CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2 InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) WZJZMXBKUWKXTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00141 C16H16N2O4 9.23 CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) IDOWTHOLJBTAFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00142 C6H11N2O4PS3 9.26 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0412_00143 C19H31N 9.285 CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2 InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3 MGNFYQILYYYUBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00144 C16H18N4O7S 9.3 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0412_00145 C24H34O9 9.3 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1 BXFOFFBJRFZBQZ-QYWOHJEZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00146 C14H21NO4 9.37 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0412_00147 C20H33NO 9.375 C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+ RYAUSSKQMZRMAI-ALOPSCKCSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0412_00148 C10H12N3O3PS2 9.385 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0412_00149 C17H19NO4 9.385 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0412_00150 C17H19NO4 9.385 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2 InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3 CIEXPHRYOLIQQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Furanilides (CHEMONTID:0004755) +0412_00151 C11H12NO4PS2 9.395 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3 LMNZTLDVJIUSHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) Phthalimides (CHEMONTID:0004749) +0412_00152 C13H18O5S 9.42 CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3 IRCMYGHHKLLGHV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0412_00153 C12H17NO2 9.52 CC1=CC(=CC(=C1)OC(=O)NC)C(C)C InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14) DTAPQAJKAFRNJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0412_00154 C18H35NO2 9.58 CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3 PUYXTUJWRLOUCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0412_00155 C12H13N3 9.595 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0412_00156 C10H19O6PS2 9.59 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0412_00157 C10H19N5S 9.65 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00158 C10H19N5S 9.65 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0412_00159 C15H20O6 9.63 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 LINOMUASTDIRTM-QGRHZQQGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Trichothecenes (CHEMONTID:0001789) NA (NA) +0412_00160 C14H14NO4PS 9.715 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 AIGRXSNSLVJMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0412_00161 C14H17N2O4PS 9.715 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0412_00162 C18H28N2O3 9.735 CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1 NWUWYYSKZYIQAE-WMCAAGNKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) NA (NA) NA (NA) +0412_00163 C12H16N3O3PS 9.785 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 AMFGTOFWMRQMEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,4-triazoles (CHEMONTID:0003314) +0412_00164 C10H20NO5PS2 9.84 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3 KLGMSAOQDHLCOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0412_00165 C13H24N4O3S 9.87 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0412_00166 C18H22O5 9.87 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 MBMQEIFVQACCCH-QBODLPLBSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) Zearalenones (CHEMONTID:0001788) NA (NA) NA (NA) +0412_00167 C12H16N3O3PS2 9.92 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3 RQVGAIADHNPSME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0412_00168 C8H19O2PS2 9.93 CCCSP(=O)(OCC)SCCC InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 VJYFKVYYMZPMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0412_00169 C8H10NO5PS 9.96 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 RLBIQVVOMOPOHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0412_00170 C15H23NO 9.965 CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 RJKCKKDSSSRYCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0412_00171 C13H22NO3PS 9.995 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0412_00172 C22H28N2O2 9.995 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25) QYPNKSZPJQQLRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0412_00173 C14H13N3 10.035 CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2 InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17) CIFWZNRJIBNXRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) diff --git a/processed_data/0412/0412_validation_qspr_outliers.tsv b/processed_data/0412/0412_validation_qspr_outliers.tsv new file mode 100644 index 000000000..d1455ef90 --- /dev/null +++ b/processed_data/0412/0412_validation_qspr_outliers.tsv @@ -0,0 +1,13 @@ +id error +0412_00001 2.3438682353162243 +0412_00004 4.833010264774078 +0412_00005 2.0294658926886178 +0412_00045 1.9562602755806964 +0412_00053 2.7698404103321037 +0412_00054 2.537673448420774 +0412_00065 2.8106476552558073 +0412_00076 3.0630756448940124 +0412_00077 3.367811247753644 +0412_00079 2.6193199448464224 +0412_00086 2.0079464674053016 +0412_00113 3.4032754945427497 diff --git a/processed_data/0413/0413_descriptors_canonical_success.tsv b/processed_data/0413/0413_descriptors_canonical_success.tsv new file mode 100644 index 000000000..73b0744b6 --- /dev/null +++ b/processed_data/0413/0413_descriptors_canonical_success.tsv @@ -0,0 +1,36 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 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-0.06287752845341078 0.03986765303193255 2 2 26.236967999999997 44.007031999999995 diff --git a/processed_data/0413/0413_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0413/0413_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..eefee5cc7 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 15,20,26,88,89,94,171,213,279,318,490,508,570,599,600,626,675,719,727,819,822,836,855,936 +0413_00002 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0413_00003 15,20,21,26,68,73,89,94,133,134,141,147,148,213,226,304,318,347,353,369,371,381,428,430,467,476,490,508,515,550,551,570,598,599,622,626,640,675,678,712,717,721,727,735,737,762,768,819,825,836,850,855,888,936,968,969 +0413_00004 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0413_00005 8,15,16,17,20,21,89,94,134,170,195,220,226,245,269,330,335,347,350,353,361,363,369,381,419,425,435,438,461,473,476,500,508,515,529,550,562,588,591,626,635,640,648,661,676,677,683,713,719,724,727,748,750,753,759,790,798,811,827,872,918,935,936,947,968,970,974,995,996,1006 +0413_00006 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0413_00007 15,16,17,21,35,89,134,170,195,210,215,220,226,245,260,269,311,320,330,335,347,350,353,361,369,381,419,435,438,461,464,473,476,481,500,508,515,529,550,562,588,591,626,640,648,661,676,683,719,724,727,748,750,753,759,798,811,827,863,872,918,935,936,947,948,968,970,974,996,1006 +0413_00008 15,26,35,89,93,98,128,134,170,210,215,220,245,260,299,311,316,320,326,335,347,350,353,379,435,438,442,459,461,464,473,486,499,500,508,515,550,562,620,626,628,640,661,676,683,687,697,701,719,724,727,733,741,748,780,793,797,798,827,835,863,918,922,936,947,948,968,974,1007 +0413_00009 15,26,73,89,97,112,134,148,153,170,183,207,220,223,227,245,256,267,274,311,315,326,327,330,346,347,369,375,435,451,461,462,491,499,508,513,562,602,625,626,660,665,704,708,719,722,729,787,791,802,850,855,858,867,900,915,926,934,936,946,948,968,973,974,979 +0413_00010 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0413_00011 15,17,57,73,80,89,100,107,129,134,192,226,245,321,334,353,369,381,444,461,476,493,503,508,515,529,534,550,573,596,601,604,626,640,661,670,676,683,735,750,759,783,831,837,849,936,947,950,968,998,1022 +0413_00012 15,16,17,21,96,124,134,195,226,245,269,330,335,347,353,361,369,381,419,438,461,468,476,500,508,515,529,549,550,588,626,640,661,676,683,710,720,748,750,759,778,798,811,827,918,935,936,947,948,968,970,996,1006 +0413_00013 15,26,93,98,128,134,245,259,260,316,326,335,347,350,353,379,425,438,442,459,461,499,500,505,508,513,515,549,550,620,626,640,661,676,683,697,733,748,778,780,797,798,827,835,918,922,936,947,948,951,968,1007 +0413_00014 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0413_00015 15,16,17,21,42,45,46,77,100,134,139,166,210,223,245,335,350,353,438,446,460,461,499,500,508,513,515,529,550,567,570,573,586,609,619,620,626,640,657,661,676,681,683,690,731,733,748,750,759,780,789,798,823,826,827,884,892,899,918,935,936,947,968,978,991,1002,1006,1016 +0413_00016 15,17,57,73,89,107,129,134,139,192,245,308,321,334,353,389,399,461,493,508,515,529,534,550,573,596,601,604,620,626,640,661,670,676,683,733,735,750,759,783,827,831,849,936,947,950,968 +0413_00017 9,15,17,30,35,42,46,77,134,139,159,166,223,226,243,245,262,269,335,353,362,438,446,460,461,499,508,513,515,529,550,554,560,570,573,586,619,620,626,640,646,654,661,676,682,683,698,733,736,748,750,759,766,772,789,823,827,836,892,899,935,936,947,968,978,980,989,991,997,1002,1016 +0413_00018 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0413_00019 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0413_00020 20,64,101,134,153,166,184,207,220,239,254,260,280,283,299,328,330,347,361,387,419,458,483,489,507,508,510,523,530,537,541,626,640,663,664,698,699,727,744,756,757,762,778,788,800,801,802,847,850,872,885,886,896,901,913,948,988,993,994,1001,1014 +0413_00021 4,15,26,42,43,57,83,94,134,151,153,163,167,173,201,226,245,328,341,353,360,362,376,378,379,389,407,434,452,459,461,499,508,515,531,532,542,550,574,588,626,640,654,661,683,748,764,778,827,882,888,922,948,963,966,967,968,980,993 +0413_00022 4,7,15,21,96,101,134,145,193,245,249,268,278,335,347,350,367,380,407,419,421,437,438,461,468,487,500,508,515,549,550,551,582,626,683,705,710,725,744,748,778,798,819,827,913,932,936,948,968,987,996 +0413_00023 20,26,44,50,52,64,65,92,100,101,134,153,180,186,197,207,233,245,252,255,261,280,297,309,326,328,333,361,368,373,418,419,443,483,499,508,510,530,537,542,626,640,660,663,674,689,698,700,710,715,727,746,756,757,762,774,784,785,802,833,845,847,850,883,884,891,896,909,929,948,1005,1013,1014,1021 +0413_00024 20,26,44,50,92,101,134,153,186,197,207,220,232,245,252,254,261,297,299,309,326,328,330,333,368,373,418,443,483,499,508,510,541,542,590,626,640,655,660,674,689,700,727,746,778,784,802,806,833,837,883,885,891,901,948,988,994,1001,1005,1013,1021 +0413_00025 20,26,44,50,92,100,101,134,153,186,197,207,220,245,252,261,297,309,326,328,330,333,368,373,418,443,483,499,508,510,542,590,626,640,655,660,674,689,700,710,727,746,778,784,802,806,833,837,883,891,948,988,1005,1013,1021 +0413_00026 15,20,23,26,35,43,86,89,94,96,114,132,134,139,145,149,153,169,175,196,197,206,208,210,238,245,251,257,274,298,309,326,350,388,421,435,473,479,487,499,508,550,557,592,597,606,626,642,663,680,698,757,761,762,781,819,850,860,897,898,914,919,924,930,946,948,968,969 +0413_00027 15,29,54,57,74,134,192,245,274,400,452,461,479,508,515,534,544,550,561,566,568,592,626,640,676,743,748,759,835,839,927,947,964,968,1001 +0413_00028 15,54,57,64,74,134,192,245,260,274,284,293,316,347,400,421,452,461,505,508,515,534,544,549,550,566,568,743,748,778,812,837,839,948,964,968,1001,1004 +0413_00029 15,26,73,75,89,109,131,139,144,153,167,169,170,176,178,207,222,230,245,282,285,311,326,327,330,346,347,369,377,390,435,461,503,507,562,575,576,580,626,656,660,698,719,735,772,787,791,812,829,871,936,937,948,974,977,991,1001 +0413_00030 15,36,40,42,87,123,134,149,245,260,263,272,278,283,293,316,328,347,353,379,421,442,461,487,496,505,508,515,543,549,550,592,626,640,654,688,706,707,748,768,778,781,782,804,812,827,928,948,968 +0413_00031 4,20,42,45,52,74,134,143,153,172,192,203,233,245,274,343,347,400,406,437,452,461,466,508,544,549,550,566,568,657,663,696,698,705,709,746,748,757,762,767,768,774,778,850,867,879,902,948,968,997 +0413_00032 15,16,17,36,40,42,134,196,245,263,272,278,283,328,353,379,409,418,438,461,487,508,515,529,543,550,591,592,626,640,654,661,676,683,748,750,759,768,781,827,918,935,947,968,993,1024 +0413_00033 4,20,42,52,134,153,173,201,226,245,253,328,332,343,349,353,376,379,434,461,508,515,550,586,588,601,626,640,644,654,661,663,683,696,698,746,748,757,762,764,774,778,827,850,877,882,905,913,919,922,943,948,966,968,993 +0413_00034 15,26,36,40,42,43,57,83,94,134,151,167,245,272,278,283,328,341,353,360,362,376,378,379,389,407,409,452,459,461,487,499,508,515,531,532,542,550,574,592,626,640,654,661,683,748,764,768,781,827,882,888,900,922,948,962,963,967,968,980,993 +0413_00035 15,20,26,33,56,58,89,115,134,150,187,214,245,249,260,274,281,347,364,454,460,471,473,499,505,525,599,626,674,733,747,762,782,819,836,888,902,916,934,936,948,964,968,975,998,1002 diff --git a/processed_data/0413/0413_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0413/0413_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..4cc424622 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 15,20,26,39,89,94,187,193,213,502,508,548,570,599,626,675,719,727,819,855,936,974,976 +0413_00002 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0413_00003 15,20,21,26,39,73,89,94,133,134,141,147,148,187,213,226,304,347,353,369,371,381,394,428,430,433,448,459,467,476,502,508,515,550,551,570,598,599,626,640,675,712,717,727,735,737,762,768,790,799,819,825,850,855,936,968 +0413_00004 15,16,17,21,30,85,89,92,134,153,195,200,216,220,226,229,245,269,278,300,311,323,326,330,335,347,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,703,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0413_00005 7,15,16,17,20,21,30,37,89,92,94,134,149,195,204,220,226,245,247,269,300,330,335,347,353,361,369,381,419,438,461,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,677,683,719,727,748,750,759,779,798,799,811,827,865,872,884,918,935,936,947,968,970,974,996,1006 +0413_00006 15,16,17,21,30,58,89,92,93,134,153,177,195,200,220,226,245,247,260,269,278,279,298,300,321,330,335,337,347,351,353,361,369,381,419,423,438,442,461,471,476,493,500,508,511,515,523,529,533,550,555,557,562,588,591,626,635,640,648,651,661,676,683,691,700,719,748,750,759,785,798,808,811,827,872,918,927,935,936,947,948,968,970,974,994,996,1006,1015 +0413_00007 15,16,17,21,30,58,89,92,134,195,200,220,226,244,245,247,260,269,300,330,335,337,347,353,361,369,381,419,423,438,461,463,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,691,719,748,750,759,798,811,827,872,918,927,935,936,947,948,968,970,974,996,1006 +0413_00008 15,23,26,58,89,93,98,128,134,200,220,241,245,247,260,300,316,320,326,335,337,347,350,353,379,423,438,442,459,461,463,486,493,499,500,508,515,533,550,557,562,564,620,626,640,661,676,683,687,691,697,719,733,748,780,793,797,798,827,835,918,922,927,936,947,948,968,974,1007 +0413_00009 9,15,26,85,89,93,100,133,134,148,151,153,176,183,190,193,200,207,210,220,245,269,300,311,326,347,351,375,412,442,461,493,497,499,508,513,554,562,602,626,689,708,719,722,729,743,764,780,784,790,802,850,855,932,934,936,946,948,952,968,973,974,1003 +0413_00010 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0413_00011 15,17,57,73,89,129,134,145,226,228,231,245,332,334,353,369,381,444,461,476,490,491,503,508,515,529,533,534,550,573,594,596,607,626,640,661,668,676,683,702,735,750,759,831,888,936,947,951,968,997 +0413_00012 15,16,17,21,96,124,134,195,226,245,269,330,335,347,353,361,369,381,419,438,461,468,476,500,508,515,529,549,550,588,626,640,661,676,683,710,720,748,750,759,778,798,811,827,918,935,936,947,948,968,970,996,1006 +0413_00013 15,26,93,98,128,134,245,259,260,316,326,335,347,350,353,379,425,438,442,459,461,499,500,505,508,513,515,549,550,620,626,640,661,676,683,697,733,748,778,780,797,798,827,835,918,922,936,947,948,951,968,1007 +0413_00014 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0413_00015 15,16,17,21,42,45,46,77,100,134,139,166,210,223,245,335,350,353,438,446,460,461,499,500,508,513,515,529,550,567,570,573,586,609,619,620,626,640,657,661,676,681,683,690,731,733,748,750,759,780,789,798,823,826,827,884,892,899,918,935,936,947,968,978,991,1002,1006,1016 +0413_00016 15,17,39,57,73,89,129,134,145,231,245,332,334,353,413,461,490,491,508,515,529,533,534,550,573,596,607,620,626,640,661,668,676,683,733,735,750,759,827,831,849,888,917,936,947,968 +0413_00017 9,15,17,30,35,42,46,77,134,139,159,166,223,226,243,245,262,269,335,353,362,438,446,460,461,499,508,513,515,529,550,554,560,570,573,586,619,620,626,640,646,654,661,676,682,683,698,733,736,748,750,759,766,772,789,823,827,836,892,899,935,936,947,968,978,980,989,991,997,1002,1016 +0413_00018 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0413_00019 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0413_00020 20,64,101,134,153,166,184,207,220,239,254,260,280,283,299,328,330,347,361,387,419,458,483,489,507,508,510,523,530,537,541,626,640,663,664,698,699,727,744,756,757,762,778,788,800,801,802,847,850,872,885,886,896,901,913,948,988,993,994,1001,1014 +0413_00021 4,15,26,42,43,57,83,94,134,151,153,163,167,173,201,226,245,328,341,353,360,362,376,378,379,389,407,434,452,459,461,499,508,515,531,532,542,550,574,588,626,640,654,661,683,748,764,778,827,882,888,922,948,963,966,967,968,980,993 +0413_00022 4,7,15,21,96,101,134,145,193,245,249,268,278,335,347,350,367,380,407,419,421,437,438,461,468,487,500,508,515,549,550,551,582,626,683,705,710,725,744,748,778,798,819,827,913,932,936,948,968,987,996 +0413_00023 20,26,44,50,52,64,65,92,100,101,134,153,180,186,197,207,233,245,252,255,261,280,297,309,326,328,333,361,368,373,418,419,443,483,499,508,510,530,537,542,626,640,660,663,674,689,698,700,710,715,727,746,756,757,762,774,784,785,802,833,845,847,850,883,884,891,896,909,929,948,1005,1013,1014,1021 +0413_00024 20,26,44,50,92,101,134,153,186,197,207,220,232,245,252,254,261,297,299,309,326,328,330,333,368,373,418,443,483,499,508,510,541,542,590,626,640,655,660,674,689,700,727,746,778,784,802,806,833,837,883,885,891,901,948,988,994,1001,1005,1013,1021 +0413_00025 20,26,44,50,92,100,101,134,153,186,197,207,220,245,252,261,297,309,326,328,330,333,368,373,418,443,483,499,508,510,542,590,626,640,655,660,674,689,700,710,727,746,778,784,802,806,833,837,883,891,948,988,1005,1013,1021 +0413_00026 15,20,23,26,43,86,89,94,96,114,134,139,145,149,153,197,210,223,225,235,245,251,274,275,298,309,338,387,388,417,421,422,435,470,473,487,499,508,550,557,588,592,606,626,642,663,698,707,746,756,757,761,762,781,782,787,795,819,850,860,897,898,914,919,938,948,967,968,969 +0413_00027 15,29,54,57,74,134,192,245,274,400,452,461,479,508,515,534,544,550,561,566,568,592,626,640,676,743,748,759,835,839,927,947,964,968,1001 +0413_00028 15,54,57,64,74,134,192,245,260,274,284,293,316,347,400,421,452,461,505,508,515,534,544,549,550,566,568,743,748,778,812,837,839,948,964,968,1001,1004 +0413_00029 15,26,73,75,89,109,131,139,144,153,167,169,170,176,178,207,222,230,245,282,285,311,326,327,330,346,347,369,377,390,435,461,503,507,562,575,576,580,626,656,660,698,719,735,772,787,791,812,829,871,936,937,948,974,977,991,1001 +0413_00030 15,36,40,42,87,123,134,149,245,260,263,272,278,283,293,316,328,347,353,379,421,442,461,487,496,505,508,515,543,549,550,592,626,640,654,688,706,707,748,768,778,781,782,804,812,827,928,948,968 +0413_00031 4,20,42,45,52,74,134,143,153,172,192,203,233,245,274,343,347,400,406,437,452,461,466,508,544,549,550,566,568,657,663,696,698,705,709,746,748,757,762,767,768,774,778,850,867,879,902,948,968,997 +0413_00032 15,16,17,36,40,42,134,196,245,263,272,278,283,328,353,379,409,418,438,461,487,508,515,529,543,550,591,592,626,640,654,661,676,683,748,750,759,768,781,827,918,935,947,968,993,1024 +0413_00033 4,20,42,52,134,153,173,201,226,245,253,328,332,343,349,353,376,379,434,461,508,515,550,586,588,601,626,640,644,654,661,663,683,696,698,746,748,757,762,764,774,778,827,850,877,882,905,913,919,922,943,948,966,968,993 +0413_00034 15,26,36,40,42,43,57,83,94,134,151,167,245,272,278,283,328,341,353,360,362,376,378,379,389,407,409,452,459,461,487,499,508,515,531,532,542,550,574,592,626,640,654,661,683,748,764,768,781,827,882,888,900,922,948,962,963,967,968,980,993 +0413_00035 15,20,24,26,39,56,58,89,99,105,115,134,138,148,200,260,265,274,282,343,364,454,473,499,528,626,634,697,726,731,747,755,762,782,805,819,916,934,936,948,963,964,967,968,1016 diff --git a/processed_data/0413/0413_fingerprints_maccs_canonical_success.tsv b/processed_data/0413/0413_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..c162ff5d7 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0413_00002 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00003 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00004 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0413_00005 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00006 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0413_00007 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00008 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00009 50,53,54,57,66,72,74,76,82,89,90,91,98,99,108,109,112,115,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0413_00010 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00011 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00012 53,54,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00013 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00014 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00015 53,57,62,89,98,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00016 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00017 53,57,62,89,98,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00018 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0413_00019 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00020 50,53,74,76,89,99,108,109,113,114,115,116,126,127,128,129,131,136,139,140,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0413_00021 54,57,66,72,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00022 57,62,72,89,93,98,105,113,125,126,127,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00023 50,53,66,74,76,89,90,99,108,112,113,115,116,127,128,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00024 50,53,66,74,76,89,90,99,108,112,113,114,115,127,131,136,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00025 50,53,66,74,76,89,90,99,108,112,113,127,131,136,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00026 50,66,74,76,89,99,101,105,112,116,127,128,136,139,140,141,143,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00027 57,89,98,105,113,123,125,127,137,139,143,145,146,152,154,157,159,162,163,164,165 +0413_00028 57,89,93,98,105,113,123,125,126,127,137,143,145,146,152,154,157,159,160,162,163,164,165 +0413_00029 53,54,57,66,72,74,82,83,89,90,91,96,98,104,108,109,112,116,120,123,126,127,128,129,131,132,137,138,139,140,143,146,147,149,150,152,153,155,157,159,160,163,164,165 +0413_00030 57,72,89,93,98,105,113,125,126,127,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0413_00031 50,57,74,76,89,93,98,99,105,108,113,116,123,125,126,127,137,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00032 53,57,72,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0413_00033 50,53,54,57,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00034 57,66,72,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,152,154,157,159,160,162,163,164,165 +0413_00035 26,34,50,53,66,76,89,91,99,104,105,108,112,115,116,127,128,131,132,139,141,143,145,149,150,152,157,159,160,163,164,165 diff --git a/processed_data/0413/0413_fingerprints_maccs_isomeric_success.tsv b/processed_data/0413/0413_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..c162ff5d7 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 53,54,66,72,89,90,91,104,112,123,127,131,132,139,140,143,146,150,152,154,157,159,163,164,165 +0413_00002 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00003 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00004 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0413_00005 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00006 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0413_00007 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00008 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00009 50,53,54,57,66,72,74,76,82,89,90,91,98,99,108,109,112,115,123,126,127,131,132,137,139,140,141,143,145,146,149,150,152,153,154,155,157,159,160,163,164,165 +0413_00010 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00011 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00012 53,54,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00013 57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0413_00014 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00015 53,57,62,89,98,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00016 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00017 53,57,62,89,98,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0413_00018 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0413_00019 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00020 50,53,74,76,89,99,108,109,113,114,115,116,126,127,128,129,131,136,139,140,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0413_00021 54,57,66,72,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00022 57,62,72,89,93,98,105,113,125,126,127,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0413_00023 50,53,66,74,76,89,90,99,108,112,113,115,116,127,128,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00024 50,53,66,74,76,89,90,99,108,112,113,114,115,127,131,136,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00025 50,53,66,74,76,89,90,99,108,112,113,127,131,136,139,140,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00026 50,66,74,76,89,99,101,105,112,116,127,128,136,139,140,141,143,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00027 57,89,98,105,113,123,125,127,137,139,143,145,146,152,154,157,159,162,163,164,165 +0413_00028 57,89,93,98,105,113,123,125,126,127,137,143,145,146,152,154,157,159,160,162,163,164,165 +0413_00029 53,54,57,66,72,74,82,83,89,90,91,96,98,104,108,109,112,116,120,123,126,127,128,129,131,132,137,138,139,140,143,146,147,149,150,152,153,155,157,159,160,163,164,165 +0413_00030 57,72,89,93,98,105,113,125,126,127,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0413_00031 50,57,74,76,89,93,98,99,105,108,113,116,123,125,126,127,137,141,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00032 53,57,72,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0413_00033 50,53,54,57,72,74,76,89,90,98,99,105,113,116,125,127,131,137,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0413_00034 57,66,72,74,89,98,99,105,112,113,120,125,127,131,137,139,140,143,144,145,146,149,152,154,157,159,160,162,163,164,165 +0413_00035 26,34,50,53,66,76,89,91,99,104,105,108,112,115,116,127,128,131,132,139,141,143,145,149,150,152,157,159,160,163,164,165 diff --git a/processed_data/0413/0413_fingerprints_pubchem_canonical_success.tsv b/processed_data/0413/0413_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..568ca5649 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0413_00002 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0413_00003 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0413_00004 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00005 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00006 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00007 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00008 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00009 10,11,12,13,19,20,21,22,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,668,672,679,680,681,682,685,687,689,690,691,693,701,702,709,710,711,712,713 +0413_00010 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00011 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00012 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00013 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00014 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00015 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,201,207,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0413_00016 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00017 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,201,207,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0413_00018 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00019 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0413_00020 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,336,342,345,347,353,356,357,367,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0413_00021 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00022 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0413_00023 10,11,12,13,14,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00024 10,11,12,13,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,442,444,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00025 10,11,12,13,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,442,444,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00026 10,11,12,13,14,19,20,21,179,180,186,187,193,194,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,589,596,600,604,609,618,619,620,635,638,641,642,656,661,665,668,669,672,678,679,680,681,685,689,690,693,695,697,698,699,705,707,709,710,711,712,713,777,798,819 +0413_00027 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0413_00028 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0413_00029 10,11,12,13,19,20,21,22,144,147,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711 +0413_00030 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00031 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0413_00032 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00034 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00035 10,11,12,19,20,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,574,583,600,618,620,638,640,641,661,668,679,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,778,799,804,819,820 diff --git a/processed_data/0413/0413_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0413/0413_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..568ca5649 --- /dev/null +++ b/processed_data/0413/0413_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,36 @@ +id bits.on +0413_00001 10,11,19,20,21,179,180,284,285,287,309,333,334,338,340,342,345,347,353,367,381,407,421,441,444,453,463,536,538,568,572,580,583,618,638,640,664,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,778,783,799,804,825 +0413_00002 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0413_00003 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0413_00004 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00005 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00006 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00007 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00008 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00009 10,11,12,13,19,20,21,22,179,182,183,186,284,285,287,309,333,334,335,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,668,672,679,680,681,682,685,687,689,690,691,693,701,702,709,710,711,712,713 +0413_00010 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00011 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00012 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00013 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00014 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00015 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,201,207,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0413_00016 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00017 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,194,200,201,207,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0413_00018 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0413_00019 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0413_00020 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,336,342,345,347,353,356,357,367,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0413_00021 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00022 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,606,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0413_00023 10,11,12,13,14,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00024 10,11,12,13,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,442,444,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00025 10,11,12,13,19,20,21,22,179,180,183,186,256,284,285,287,309,333,334,335,336,342,345,353,356,357,375,382,383,385,407,417,421,431,433,442,444,471,491,494,499,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,589,591,596,598,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,712,715,735,741,757,778,798,804,820 +0413_00026 10,11,12,13,14,19,20,21,179,180,186,187,193,194,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,589,596,600,604,609,618,619,620,635,638,641,642,656,661,665,668,669,672,678,679,680,681,685,689,690,693,695,697,698,699,705,707,709,710,711,712,713,777,798,819 +0413_00027 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0413_00028 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0413_00029 10,11,12,13,19,20,21,22,144,147,179,182,284,285,287,309,333,334,338,340,342,345,347,348,353,367,368,375,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711 +0413_00030 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00031 10,11,12,19,20,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,735,741,757,778,798,804,820 +0413_00032 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0413_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00034 10,11,12,13,19,20,21,179,180,182,185,186,187,193,200,256,257,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0413_00035 10,11,12,19,20,179,180,183,186,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,574,583,600,618,620,638,640,641,661,668,679,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,778,799,804,819,820 diff --git a/processed_data/0413/0413_gradient.tsv b/processed_data/0413/0413_gradient.tsv new file mode 100644 index 000000000..470734dc6 --- /dev/null +++ b/processed_data/0413/0413_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 90 10 +20 0.2 46 54 +23 0.2 0 100 +32 0.2 0 100 diff --git a/processed_data/0413/0413_info.tsv b/processed_data/0413/0413_info.tsv new file mode 100644 index 000000000..c7afaec1a --- /dev/null +++ b/processed_data/0413/0413_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0413 10.1016/j.jpba.2019.06.042 Submitted by Fangyuan Sun Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua ROASMI_6 column temperature diff --git a/processed_data/0413/0413_metadata.tsv b/processed_data/0413/0413_metadata.tsv new file mode 100644 index 000000000..de7f0b776 --- /dev/null +++ b/processed_data/0413/0413_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0413 Agilent ZORBAX Eclipse Plus C18 L1 150.0 2.1 3.5 0.2 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 0.0 100.0 0 0 % % % % 1.6537499999999998 diff --git a/processed_data/0413/0413_report_canonical.pdf b/processed_data/0413/0413_report_canonical.pdf new file mode 100644 index 000000000..eecce7ab4 Binary files /dev/null and b/processed_data/0413/0413_report_canonical.pdf differ diff --git a/processed_data/0413/0413_report_isomeric.pdf b/processed_data/0413/0413_report_isomeric.pdf new file mode 100644 index 000000000..444a56ab4 Binary files /dev/null and b/processed_data/0413/0413_report_isomeric.pdf differ diff --git a/processed_data/0413/0413_rtdata_canonical_success.tsv b/processed_data/0413/0413_rtdata_canonical_success.tsv new file mode 100644 index 000000000..defaaf6e5 --- /dev/null +++ b/processed_data/0413/0413_rtdata_canonical_success.tsv @@ -0,0 +1,36 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0413_00001 C7H12O6 3.1 C1C(C(C(CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) AAWZDTNXLSGCEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00002 C16H18O9 5.2 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00003 C16H18O9 6.6 C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23) GYFFKZTYYAFCTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00004 C21H20O12 8.8 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00005 C21H18O13 9.3 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31) DUBCCGAQYVUYEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0413_00006 C27H30O16 9.7 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00007 C21H20O11 9.9 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3 OXGUCUVFOIWWQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00008 C21H20O10 10.2 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3 HQNOUCSPWAGQND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0413_00009 C19H30O8 10.3 CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3 SWYRVCGNMNAFEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0413_00010 C15H10O7 10.6 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00011 C15H12O7 11.6 C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H CXQWRCVTCMQVQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0413_00012 C16H12O7 12.2 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3 WEPBGSIAWZTEJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 3-O-methylated flavonoids (CHEMONTID:0002588) NA (NA) +0413_00013 C16H12O6 12.5 COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 MQSZRBPYXNEFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00014 C15H10O6 13.5 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00015 C30H18O10 13.6 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H IQAMTZLKUHMPPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0413_00016 C15H12O6 14 C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H PADQINQHPQKXNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0413_00017 C30H18O10 14.9 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H YUSWMAULDXZHPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0413_00018 C15H12O5 15 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0413_00019 C11H12O5 15.2 COC1=CC(=CC(=C1O)OC)C=CC(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0413_00020 C24H34O5 15.4 CCC(C)C(=O)C1=C(C(=C(C(=C1O)C)OCC=C(C)CCC=C(C)C)C(=O)C)O InChI=1S/C24H34O5/c1-8-16(5)21(26)20-22(27)17(6)24(19(18(7)25)23(20)28)29-13-12-15(4)11-9-10-14(2)3/h10,12,16,27-28H,8-9,11,13H2,1-7H3 SLMXSSJVARUOAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00021 C18H14O6 15.6 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)C InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-11(20)13-14(21)9-3-4-10(19)15(22)17(9)23-16(8)13/h3-7,19-20,22H,1-2H3 FSTNFJKGRSHPBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00022 C19H18O6 15.9 COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=CC=C3)OC)OC InChI=1S/C19H18O6/c1-21-13-10-12-14(18(23-3)17(13)22-2)15(20)19(24-4)16(25-12)11-8-6-5-7-9-11/h5-10H,1-4H3 YOZUDFLREPPXIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0413_00023 C33H44O8 18.3 CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)CC=C(C)CCC=C(C)C)O InChI=1S/C33H44O8/c1-16(2)11-10-12-19(7)13-14-20-27(36)21(29(38)23(28(20)37)25(34)17(3)4)15-22-30(39)24(26(35)18(5)6)32(41)33(8,9)31(22)40/h11,13,17-18,36-40H,10,12,14-15H2,1-9H3 CGZLREDAQUWTBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00024 C25H32O8 18.4 CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O InChI=1S/C25H32O8/c1-8-11(4)18(27)15-20(29)12(5)19(28)13(21(15)30)9-14-22(31)16(17(26)10(2)3)24(33)25(6,7)23(14)32/h10-11,28-32H,8-9H2,1-7H3 XEWUKGNAGYTTTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00025 C24H30O8 20.1 CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O InChI=1S/C24H30O8/c1-9(2)16(25)14-19(28)11(5)18(27)12(20(14)29)8-13-21(30)15(17(26)10(3)4)23(32)24(6,7)22(13)31/h9-10,27-31H,8H2,1-7H3 QNAVIUVOJCTDPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00026 C33H42O4 20.4 CC(=CCC1CC2(C(=O)C(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,34H,15,18-20H2,1-8H3 KLFBRRJTELLZLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0413_00027 C9H6O3 20.5 C1=CC(=CC2=C1C=CC(=O)O2)O InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0413_00028 C10H8O3 22.7 COC1=CC2=C(C=C1)C=CC(=O)O2 InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 LIIALPBMIOVAHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0413_00029 C16H30O10 23.6 CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3 RYNMENUEBZLOQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0413_00030 C14H10O4 25.7 COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O InChI=1S/C14H10O4/c1-17-8-5-6-9-12(7-8)18-14-10(13(9)16)3-2-4-11(14)15/h2-7,15H,1H3 IGEOTHJTYYISJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00031 C15H16O3 26 CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 MBRLOUHOWLUMFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0413_00032 C13H8O5 26.9 C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H XESIWQIMUSNPRO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00033 C18H16O6 28.8 CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3 ZZUFNBISWJNCEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00034 C18H14O5 29 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C InChI=1S/C18H14O5/c1-18(2)7-6-9-13(23-18)8-12(20)14-15(21)10-4-3-5-11(19)16(10)22-17(9)14/h3-8,19-20H,1-2H3 XWRLBJDPJRDNKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00035 C15H24O2 31.6 CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3 BXXSHQYDJWZXPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids (CHEMONTID:0003655) NA (NA) diff --git a/processed_data/0413/0413_rtdata_isomeric_success.tsv b/processed_data/0413/0413_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..f4eb26024 --- /dev/null +++ b/processed_data/0413/0413_rtdata_isomeric_success.tsv @@ -0,0 +1,36 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0413_00001 C7H12O6 3.1 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 AAWZDTNXLSGCEK-LNVDRNJUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00002 C16H18O9 5.2 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00003 C16H18O9 6.6 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1 GYFFKZTYYAFCTR-AVXJPILUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0413_00004 C21H20O12 8.8 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-DTGCRPNFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00005 C21H18O13 9.3 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1 DUBCCGAQYVUYEU-ZUGPOPFOSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid O-glucuronides (CHEMONTID:0002934) +0413_00006 C27H30O16 9.7 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 IKGXIBQEEMLURG-NVPNHPEKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00007 C21H20O11 9.9 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 OXGUCUVFOIWWQJ-HQBVPOQASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0413_00008 C21H20O10 10.2 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1 HQNOUCSPWAGQND-GKLNBGJFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0413_00009 C19H30O8 10.3 CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1 SWYRVCGNMNAFEK-MHXFFUGFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acyl glycosides (CHEMONTID:0001766) Fatty acyl glycosides of mono- and disaccharides (CHEMONTID:0003861) NA (NA) +0413_00010 C15H10O7 10.6 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00011 C15H12O7 11.6 C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 CXQWRCVTCMQVQX-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0413_00012 C16H12O7 12.2 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3 WEPBGSIAWZTEJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 3-O-methylated flavonoids (CHEMONTID:0002588) NA (NA) +0413_00013 C16H12O6 12.5 COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 MQSZRBPYXNEFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00014 C15H10O6 13.5 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0413_00015 C30H18O10 13.6 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H IQAMTZLKUHMPPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0413_00016 C15H12O6 14 C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1 PADQINQHPQKXNL-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0413_00017 C30H18O10 14.9 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H YUSWMAULDXZHPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0413_00018 C15H12O5 15 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0413_00019 C11H12O5 15.2 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ PCMORTLOPMLEFB-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0413_00020 C24H34O5 15.4 CCC(C)C(=O)C1=C(C(=C(C(=C1O)C)OC/C=C(\C)/CCC=C(C)C)C(=O)C)O InChI=1S/C24H34O5/c1-8-16(5)21(26)20-22(27)17(6)24(19(18(7)25)23(20)28)29-13-12-15(4)11-9-10-14(2)3/h10,12,16,27-28H,8-9,11,13H2,1-7H3/b15-12+ SLMXSSJVARUOAM-NTCAYCPXSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00021 C18H14O6 15.6 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)C InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-11(20)13-14(21)9-3-4-10(19)15(22)17(9)23-16(8)13/h3-7,19-20,22H,1-2H3 FSTNFJKGRSHPBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00022 C19H18O6 15.9 COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=CC=C3)OC)OC InChI=1S/C19H18O6/c1-21-13-10-12-14(18(23-3)17(13)22-2)15(20)19(24-4)16(25-12)11-8-6-5-7-9-11/h5-10H,1-4H3 YOZUDFLREPPXIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0413_00023 C33H44O8 18.3 CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C/C=C(\C)/CCC=C(C)C)O InChI=1S/C33H44O8/c1-16(2)11-10-12-19(7)13-14-20-27(36)21(29(38)23(28(20)37)25(34)17(3)4)15-22-30(39)24(26(35)18(5)6)32(41)33(8,9)31(22)40/h11,13,17-18,36-40H,10,12,14-15H2,1-9H3/b19-13+ CGZLREDAQUWTBU-CPNJWEJPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00024 C25H32O8 18.4 CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O InChI=1S/C25H32O8/c1-8-11(4)18(27)15-20(29)12(5)19(28)13(21(15)30)9-14-22(31)16(17(26)10(2)3)24(33)25(6,7)23(14)32/h10-11,28-32H,8-9H2,1-7H3 XEWUKGNAGYTTTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00025 C24H30O8 20.1 CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O InChI=1S/C24H30O8/c1-9(2)16(25)14-19(28)11(5)18(27)12(20(14)29)8-13-21(30)15(17(26)10(3)4)23(32)24(6,7)22(13)31/h9-10,27-31H,8H2,1-7H3 QNAVIUVOJCTDPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0413_00026 C33H42O4 20.4 CC(=CC[C@H]1C[C@]2(C(=O)/C(=C(\C3=CC=CC=C3)/O)/C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,34H,15,18-20H2,1-8H3/b27-26-/t25-,32-,33+/m0/s1 KLFBRRJTELLZLW-RMKGZORESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Bicyclic monoterpenoids (CHEMONTID:0001564) NA (NA) +0413_00027 C9H6O3 20.5 C1=CC(=CC2=C1C=CC(=O)O2)O InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0413_00028 C10H8O3 22.7 COC1=CC2=C(C=C1)C=CC(=O)O2 InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 LIIALPBMIOVAHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0413_00029 C16H30O10 23.6 CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3 RYNMENUEBZLOQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +0413_00030 C14H10O4 25.7 COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O InChI=1S/C14H10O4/c1-17-8-5-6-9-12(7-8)18-14-10(13(9)16)3-2-4-11(14)15/h2-7,15H,1H3 IGEOTHJTYYISJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00031 C15H16O3 26 CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 MBRLOUHOWLUMFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0413_00032 C13H8O5 26.9 C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H XESIWQIMUSNPRO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00033 C18H16O6 28.8 CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3 ZZUFNBISWJNCEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00034 C18H14O5 29 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C InChI=1S/C18H14O5/c1-18(2)7-6-9-13(23-18)8-12(20)14-15(21)10-4-3-5-11(19)16(10)22-17(9)14/h3-8,19-20H,1-2H3 XWRLBJDPJRDNKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0413_00035 C15H24O2 31.6 C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1 BXXSHQYDJWZXPB-OKNSCYNVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Sesquiterpenoids (CHEMONTID:0001550) Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids (CHEMONTID:0003655) NA (NA) diff --git a/processed_data/0413/0413_validation_qspr_outliers.tsv b/processed_data/0413/0413_validation_qspr_outliers.tsv new file mode 100644 index 000000000..10ea22c62 --- /dev/null +++ b/processed_data/0413/0413_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0413_00029 14.745097085770707 diff --git a/processed_data/0414/0414_descriptors_canonical_success.tsv b/processed_data/0414/0414_descriptors_canonical_success.tsv new file mode 100644 index 000000000..727f9c238 --- /dev/null +++ b/processed_data/0414/0414_descriptors_canonical_success.tsv @@ -0,0 +1,247 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 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1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0414_00020 15,49,89,122,144,212,470,612,662,670,696,773,779,789,799,883,948,951,997 +0414_00021 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0414_00022 15,175,227,259,298,310,326,381,384,404,435,461,508,524,618,700,771,780,837 +0414_00023 20,57,115,153,206,248,282,339,347,366,383,416,442,487,508,516,549,570,672,713,727,789,915,948,954,983,987,998 +0414_00024 20,52,62,144,153,240,245,270,287,347,360,413,430,508,513,516,544,557,592,643,655,670,727,739,761,778,830,844,847,872,893,948,970,994 +0414_00025 47,96,120,134,145,204,213,220,229,245,266,302,392,421,425,459,481,487,508,524,550,572,588,603,610,678,686,722,887,935,943,948,968,1000 +0414_00026 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0414_00027 15,175,237,259,384,435,508,524,618,700,706,771,954 +0414_00028 14,20,65,144,190,243,259,292,347,451,494,508,516,543,550,570,579,598,631,645,649,727,761,787,850,863,913,931,948,970,977,998,1014 +0414_00029 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0414_00030 34,91,96,134,145,167,195,207,240,390,421,424,479,487,516,550,575,601,626,647,802,855,857,948,968,994,998 +0414_00031 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0414_00032 1,2,4,11,15,26,42,89,97,118,134,175,182,183,201,222,223,244,286,318,330,347,353,407,425,444,449,461,496,512,524,534,536,540,549,550,561,596,597,626,628,658,663,666,686,705,709,734,760,778,783,815,838,848,854,856,883,936,945,948,956,968,989,1014,1016 +0414_00033 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0414_00034 5,15,20,30,41,58,62,66,89,111,153,160,182,201,207,250,253,266,303,339,347,357,374,382,390,440,461,501,508,516,523,524,530,562,563,585,626,641,647,666,676,677,678,686,687,717,719,727,732,739,745,776,802,804,834,875,891,906,915,936,948,959,964,974,994,1008,1015 +0414_00035 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0414_00036 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0414_00037 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0414_00038 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0414_00039 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0414_00040 15,17,20,23,26,46,51,57,65,66,94,134,148,153,158,175,227,233,245,265,299,340,356,377,393,405,436,456,508,524,554,575,580,607,611,613,622,626,641,648,654,662,689,727,745,770,783,827,863,931,938,946,948,951,968,972,994,1009,1012 +0414_00041 20,37,144,146,190,197,236,243,259,317,347,474,492,508,516,543,550,570,598,631,645,652,727,787,850,884,948,970,971,977,998,1014 +0414_00042 5,62,96,134,145,153,189,207,230,270,279,363,421,487,516,550,558,588,594,802,806,892,948,968,989,994,998 +0414_00043 1,11,15,20,26,42,84,89,97,118,134,165,170,175,183,222,223,226,231,268,275,291,313,318,330,347,353,374,407,411,425,449,461,496,508,510,512,524,534,540,550,561,592,596,597,626,640,648,658,663,666,686,692,727,734,762,774,778,783,798,838,848,883,886,945,948,968,970,982,994,1014 +0414_00044 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0414_00045 96,119,134,141,146,148,154,200,223,350,405,461,485,487,503,506,547,550,552,558,569,592,596,615,654,662,692,717,786,797,862,867,872,914,955,968 +0414_00046 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0414_00047 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0414_00048 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0414_00049 20,55,61,111,112,243,259,323,347,508,516,570,604,617,645,655,698,727,762,777,787,915,948,957,970,998,1015 +0414_00050 20,28,74,95,98,133,134,146,162,172,201,236,300,347,461,481,482,508,516,532,533,549,550,617,647,713,716,727,770,862,879,887,948,968,970 +0414_00051 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0414_00052 20,30,57,146,153,347,362,365,412,486,487,508,510,516,549,555,570,574,614,727,762,775,832,850,928,948,954,994,995,998,1022 +0414_00053 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0414_00054 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0414_00055 1,2,11,15,23,26,42,89,97,118,134,153,175,182,183,222,223,232,286,318,330,347,353,402,407,425,444,449,461,496,505,512,524,534,536,540,550,561,596,597,626,628,658,663,666,686,705,709,727,734,750,760,783,792,800,815,838,848,854,856,872,883,936,945,948,956,968,994,1014 +0414_00056 58,62,96,134,145,149,153,207,230,246,251,270,279,304,363,411,421,455,487,516,550,558,588,802,892,948,968,989,994,1019 +0414_00057 134,182,220,222,242,304,367,480,481,487,550,705,781,845,887,948,968 +0414_00058 3,20,26,40,70,72,89,117,122,134,144,167,194,197,225,228,241,245,283,316,326,333,339,341,353,363,370,376,402,406,418,432,452,473,481,487,489,499,508,517,526,530,550,552,573,583,601,612,626,640,670,683,696,700,715,719,727,739,763,773,781,799,814,847,855,906,936,937,943,948,956,968,979,987 +0414_00059 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0414_00060 15,20,33,40,51,55,57,77,79,89,94,109,114,129,134,137,139,153,159,161,174,186,194,238,245,259,268,283,347,390,400,405,422,456,463,481,492,507,508,516,517,524,535,544,549,569,581,600,615,626,637,677,701,711,725,727,762,767,773,783,799,834,848,881,883,886,887,935,948,949,951,964,968,970,981,989,996,997,1003 +0414_00061 15,20,62,89,96,118,128,132,134,145,146,153,167,189,207,266,286,326,347,419,421,445,487,508,512,524,536,550,572,576,601,622,626,647,686,727,762,772,824,860,863,904,919,942,948,964,968,1000,1003 +0414_00062 20,32,45,96,134,138,144,196,203,259,267,275,288,300,344,347,361,394,407,408,482,487,495,496,508,516,517,540,549,550,565,578,591,596,642,646,697,727,752,761,776,810,832,843,850,856,881,913,948,968,970,999 +0414_00063 4,7,20,30,57,144,175,266,347,365,392,412,486,487,508,510,549,574,599,646,670,675,727,762,775,832,850,948,954,994,995 +0414_00064 15,111,165,175,237,259,384,435,486,508,524,618,700,706,771,788,954 +0414_00065 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0414_00066 3,15,20,26,48,70,72,89,134,144,171,194,197,228,238,245,283,294,303,326,331,334,341,350,353,357,376,412,418,432,452,473,478,481,485,487,489,492,499,508,517,527,550,552,573,583,601,612,626,640,670,683,696,700,715,727,739,773,781,799,843,847,855,880,906,918,943,945,948,956,964,968 +0414_00067 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0414_00068 5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0414_00069 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0414_00070 1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0414_00071 15,20,62,89,95,96,114,118,120,134,145,151,212,266,272,298,300,310,344,347,351,352,394,401,421,445,449,482,487,508,524,530,549,550,596,614,641,644,686,688,727,748,762,772,788,833,844,848,897,898,948,964,968,979,1004 +0414_00072 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0414_00073 3,8,9,15,24,26,31,33,35,54,55,67,70,89,95,114,134,142,144,153,156,186,196,197,201,225,241,245,249,254,260,265,268,274,278,309,318,320,325,339,341,344,347,348,350,358,361,370,385,405,406,421,424,435,458,461,466,467,473,485,488,499,508,527,531,534,538,540,543,549,590,608,610,624,626,628,637,649,651,656,658,670,678,696,707,713,719,723,724,725,726,727,728,731,743,763,772,789,797,798,819,836,850,855,866,869,883,890,894,911,914,933,936,948,951,956,959,964,968,974,1010,1015 +0414_00074 20,24,49,78,96,98,134,139,144,145,278,381,421,487,508,516,530,536,550,595,599,659,670,727,883,948,968,1011 +0414_00075 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0414_00076 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0414_00077 20,26,49,50,52,68,94,134,153,207,219,245,248,266,270,273,275,288,289,317,347,391,393,405,409,417,433,447,453,456,499,506,508,515,516,548,549,578,579,580,607,622,625,626,662,664,725,727,747,753,802,913,928,942,948,955,968,1021 +0414_00078 15,26,35,60,89,100,134,159,176,209,222,238,244,245,249,285,302,335,359,361,401,417,420,443,450,453,461,492,499,508,513,516,555,562,567,568,569,605,609,618,626,632,655,659,690,694,726,762,769,772,803,818,824,851,855,876,878,893,936,948,956,964,968,988,991,1000,1001,1012,1020 +0414_00079 3,14,20,37,51,96,101,129,134,140,145,177,184,197,213,230,278,300,347,350,353,405,407,421,451,465,482,487,506,508,515,516,549,550,568,594,596,609,615,626,662,669,696,701,712,717,727,792,797,824,875,948,968,970,997,1023 +0414_00080 14,28,58,75,134,153,292,399,405,435,468,516,531,580,600,613,615,654,915,917,918,948,953,994,1000,1015 +0414_00081 3,6,20,26,72,84,89,117,122,124,134,144,194,197,201,225,228,245,256,260,283,316,326,334,341,351,353,370,407,418,432,452,455,460,477,481,487,504,508,517,530,550,552,556,573,601,612,616,626,640,670,683,696,700,713,719,720,727,773,781,799,814,839,847,855,888,906,908,936,937,943,948,968,1006 +0414_00082 28,33,53,75,134,193,207,336,399,405,407,516,520,531,563,580,613,615,702,712,735,802,848,886,915,917,918,925,948,953,998,1015 +0414_00083 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0414_00084 25,33,50,53,134,193,207,257,343,347,405,407,516,520,531,549,582,613,671,778,802,848,902,916,918,948 +0414_00085 57,153,183,347,411,447,486,505,508,763,948,954,977,994 +0414_00086 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0414_00087 20,30,57,194,300,347,365,412,482,486,487,508,510,549,574,652,727,733,737,762,775,832,850,930,948,954,975,994,995 +0414_00088 17,20,26,35,50,68,83,108,134,151,207,220,221,245,248,273,298,300,317,347,366,405,409,417,433,499,506,508,515,542,548,549,550,579,625,652,654,662,686,727,802,812,840,867,871,948,955,968,970,984 +0414_00089 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0414_00090 9,15,20,26,62,89,94,96,115,134,145,153,175,178,190,207,231,237,270,284,296,318,347,361,371,397,408,415,421,456,461,487,505,508,516,524,544,550,588,589,612,626,647,663,664,673,677,721,727,729,741,752,764,772,776,777,786,801,802,827,851,863,902,935,948,968,969,994,1014 +0414_00091 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0414_00092 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0414_00093 20,51,134,136,153,260,278,317,347,358,459,464,505,508,516,530,550,595,659,727,750,762,777,785,800,812,873,934,948,960,968,994 +0414_00094 1,20,57,95,134,138,156,173,250,259,275,297,309,348,354,374,381,407,417,425,453,461,508,516,539,550,552,620,624,626,635,640,642,657,663,676,681,727,733,748,752,824,832,850,860,890,897,901,947,966,968,989 +0414_00095 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0414_00096 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0414_00097 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0414_00098 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0414_00099 20,26,134,144,168,207,287,379,405,425,436,464,488,493,500,504,508,516,520,557,570,605,670,727,773,809,863,898,930,937,948,977,998,1011 +0414_00100 15,20,63,96,105,134,153,155,205,251,341,429,433,440,478,481,482,487,489,508,522,550,560,577,616,657,659,719,725,727,739,781,935,945,968 +0414_00101 15,29,51,89,99,117,134,144,174,210,237,245,258,266,310,327,367,405,445,465,473,508,509,524,570,585,615,670,671,686,725,729,744,761,772,788,836,940,948,957,1012,1024 +0414_00102 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0414_00103 1,15,83,97,134,175,180,234,245,317,326,332,336,374,385,417,487,498,505,507,508,524,550,554,608,610,641,780,781,830,968,971,986,1010,1022 +0414_00104 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0414_00105 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0414_00106 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0414_00107 11,20,37,51,62,93,129,134,140,146,153,174,197,230,261,278,293,300,347,350,363,405,407,439,482,506,508,515,516,549,550,577,596,609,615,626,662,669,696,698,702,717,727,797,818,847,875,884,915,948,968,970,975,994 +0414_00108 20,37,51,96,129,134,140,145,153,197,230,278,298,300,347,350,365,369,390,405,407,410,421,453,482,487,506,508,515,516,548,549,550,555,596,609,615,626,635,662,669,696,717,727,754,797,875,897,898,927,948,968,970,1011,1017 +0414_00109 15,20,24,39,58,75,77,83,89,94,95,110,120,134,153,180,207,216,220,231,235,251,254,260,298,299,318,319,324,340,347,390,391,441,452,464,477,480,502,508,511,512,525,540,541,577,626,680,727,762,766,767,779,783,802,814,819,821,863,899,904,915,923,928,936,937,948,953,957,964,968,979,994,1008 +0414_00110 20,26,38,57,62,77,81,84,89,94,96,128,134,145,153,233,245,270,295,327,338,366,406,421,422,487,492,499,508,516,522,524,550,575,581,588,589,626,642,648,677,702,727,767,773,807,817,843,853,876,887,901,948,968,1007,1014 +0414_00111 13,15,20,52,134,153,170,175,182,193,220,223,245,261,298,347,367,413,461,480,487,497,508,524,532,539,549,550,575,613,627,641,657,670,679,717,727,758,778,781,798,898,948,968,1001,1008,1012,1018 +0414_00112 20,73,74,109,134,220,243,260,288,347,466,487,508,514,515,516,520,550,570,633,644,686,727,771,781,802,815,948,961,968,970,998,999,1011 +0414_00113 20,26,50,63,67,68,89,94,96,134,183,207,232,245,248,266,273,289,317,405,409,417,429,433,446,447,456,476,487,494,499,506,508,515,516,536,538,548,550,577,578,579,613,625,626,662,727,747,760,802,858,863,901,928,935,948,955,968,1012 +0414_00114 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0414_00115 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0414_00116 10,15,26,35,47,52,71,89,105,130,134,143,144,153,168,170,171,185,189,196,201,206,233,239,244,245,251,256,259,260,265,280,282,286,288,298,313,341,342,347,350,352,382,415,425,430,435,437,461,466,467,488,499,508,523,524,526,530,533,534,538,545,549,580,584,594,618,626,639,651,656,658,670,679,689,696,704,711,713,717,719,744,763,771,776,780,799,812,819,821,852,853,855,863,867,869,883,885,894,895,903,906,916,925,936,937,938,947,948,961,964,970,974,981,987,990,994,1015 +0414_00117 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0414_00118 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0414_00119 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0414_00120 17,20,26,51,65,94,134,153,158,178,220,226,245,260,306,340,405,429,456,508,524,541,550,554,611,613,626,628,648,654,689,726,727,731,776,781,783,827,863,938,946,948,968,972,994,1020 +0414_00121 65,80,129,134,138,146,151,180,181,190,197,205,215,236,242,245,304,305,311,335,337,354,374,393,397,405,411,417,440,453,491,506,508,513,515,516,550,582,596,611,615,637,654,657,662,752,771,792,797,809,819,828,859,936,948,963,964,968,989,992,1002 +0414_00122 20,24,26,49,74,98,109,134,144,184,230,260,278,306,347,381,410,421,465,466,483,487,508,515,516,520,530,536,550,589,599,611,629,670,676,714,727,777,781,804,821,948,961,968,970,977,1011 +0414_00123 20,96,134,139,145,220,260,381,405,421,451,487,515,516,530,531,550,613,643,648,722,824,880,907,910,916,948,968,971,988,1003,1013 +0414_00124 15,20,31,53,63,68,70,94,96,114,134,155,211,228,254,278,298,350,366,374,456,467,469,485,487,508,516,550,560,577,587,594,616,626,657,714,725,727,739,781,847,858,928,935,966,968,1004,1016 +0414_00125 20,47,55,72,111,112,144,237,259,273,300,307,323,347,458,508,604,617,620,645,670,698,727,762,770,825,873,915,948,1015,1024 +0414_00126 20,57,143,153,198,206,207,280,343,347,372,378,398,408,479,487,505,508,511,519,544,549,640,653,663,713,727,752,754,762,777,790,863,892,915,948,954,967,994 +0414_00127 26,32,49,63,100,107,134,153,185,209,220,251,260,347,358,397,445,447,459,499,505,511,515,522,550,559,582,602,649,651,654,662,689,695,710,742,750,797,800,812,948,968,993,994 +0414_00128 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0414_00129 47,96,120,134,142,145,204,207,213,220,221,229,245,315,353,421,459,487,508,524,527,550,564,572,588,603,610,612,632,686,737,779,802,943,948,968,1000 +0414_00130 20,49,50,52,74,84,90,96,108,122,134,146,153,181,188,221,236,257,278,280,347,385,405,408,430,439,461,464,476,487,505,508,516,531,549,550,553,613,645,671,679,692,705,727,743,772,778,800,822,833,847,873,916,918,926,947,948,953,968,992 +0414_00131 3,8,15,20,68,89,134,138,146,160,172,191,197,209,213,214,225,236,237,245,248,276,298,302,304,331,346,355,417,453,508,515,532,550,657,709,727,745,757,813,819,828,836,857,932,948,968,989,1006,1008,1012,1022 +0414_00132 3,4,9,15,20,26,31,33,35,37,49,54,55,61,67,71,89,112,113,114,120,134,141,144,145,150,153,155,156,179,186,197,201,206,207,223,230,241,245,249,254,260,265,278,285,299,309,318,320,325,339,341,344,345,347,348,350,358,371,385,405,406,420,421,435,461,466,467,473,485,488,499,508,511,527,534,536,540,549,563,568,602,608,612,626,637,640,649,651,670,678,696,698,707,719,723,724,726,727,728,762,763,780,791,797,802,819,824,830,844,850,855,869,883,885,886,890,911,936,948,964,965,968,974,982,1015 +0414_00133 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0414_00134 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0414_00135 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0414_00136 20,31,68,74,84,90,96,108,134,146,151,168,188,211,220,221,236,260,278,300,326,347,380,405,461,487,505,508,515,516,531,549,550,553,568,599,604,613,722,727,772,787,822,832,840,868,873,887,910,916,918,948,968,988,992 +0414_00137 15,89,111,131,134,144,153,194,207,214,232,260,270,281,290,413,444,456,461,469,493,500,504,524,550,558,632,763,764,773,780,802,831,850,861,863,903,934,948,968,974,977,985,989,994,1000 +0414_00138 15,88,111,131,134,144,153,175,207,214,232,237,270,281,297,413,444,454,493,504,524,550,558,606,646,647,764,773,780,788,802,831,863,934,948,954,968,974,977,985,989,994,1000 +0414_00139 15,26,32,55,60,62,89,91,120,130,134,144,153,209,212,222,232,254,328,347,350,431,456,461,509,534,544,568,620,652,670,704,711,762,768,772,812,817,829,844,852,908,916,948,977,987,994,1000,1019 +0414_00140 15,75,89,134,144,191,223,237,240,399,405,516,531,580,613,615,640,653,689,714,723,739,740,772,863,900,915,917,918,948,953,961,970,977,997,1015 +0414_00141 20,37,51,59,96,129,134,140,145,146,174,197,230,278,300,347,350,370,405,407,421,439,468,482,487,490,506,508,515,516,539,546,549,550,577,596,609,615,626,635,662,669,696,717,727,797,847,871,875,903,915,927,948,968,970,991 +0414_00142 76,96,117,134,144,145,154,167,177,207,231,286,350,421,484,487,532,550,601,647,670,700,737,773,778,888,905,948,966,968 +0414_00143 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0414_00144 15,57,88,110,134,153,175,177,187,207,245,252,254,299,310,347,360,378,403,411,453,465,505,508,524,529,570,623,634,637,763,773,791,802,809,915,925,948,954,994,1020 +0414_00145 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0414_00146 20,26,72,77,84,89,94,96,128,134,145,148,153,156,203,220,222,233,245,249,255,289,295,327,329,335,338,354,374,405,406,412,418,421,422,461,487,492,499,508,509,516,524,535,550,575,581,589,601,626,648,677,710,727,767,768,770,773,774,789,817,843,853,864,876,948,968,980,987,1007,1021 +0414_00147 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0414_00148 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0414_00149 108,134,136,144,146,185,220,236,237,343,372,508,516,522,530,542,550,667,670,686,737,752,763,809,875,910,933,948,968 +0414_00150 20,23,32,43,69,75,96,134,153,155,181,222,243,347,380,408,420,487,490,508,516,520,545,550,570,593,696,705,719,727,742,835,868,915,945,948,968,970,994,998,1011 +0414_00151 91,134,144,198,214,346,434,550,620,626,640,676,727,732,733,756,863,947,948,968,977 +0414_00152 14,28,51,58,75,134,153,193,207,240,241,292,398,399,405,435,468,487,488,516,531,580,600,613,615,689,802,829,848,901,915,917,918,925,948,953,994,1000,1015 +0414_00153 15,20,78,96,134,139,145,177,186,209,220,249,252,255,277,278,298,348,374,381,421,443,456,461,477,487,508,516,530,550,561,589,593,630,635,659,727,773,777,890,948,968,978,998,1012 +0414_00154 20,24,38,49,83,98,134,136,144,161,217,260,267,278,344,347,505,508,516,530,536,549,550,599,659,666,670,727,778,802,812,871,873,883,948,968,980,1011 +0414_00155 1,12,15,20,26,29,60,68,85,89,134,158,222,251,276,285,315,325,336,350,449,454,467,492,493,499,515,550,563,566,567,618,626,640,676,698,716,733,763,769,772,830,879,908,936,947,948,954,968,996,1008,1011,1022 +0414_00156 14,116,134,153,199,205,256,260,347,364,411,429,442,449,451,469,494,505,508,517,550,564,636,687,708,763,808,812,820,824,840,878,948,954,968,994,1023 +0414_00157 20,43,96,134,181,207,226,243,247,271,326,347,380,408,432,487,508,516,520,550,570,630,671,702,705,727,779,802,948,954,967,968,970,998,1011,1014 +0414_00158 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0414_00159 7,15,21,25,26,49,60,85,88,89,99,117,134,148,214,222,236,245,255,285,288,308,315,351,357,399,454,469,492,499,508,513,547,566,603,618,626,676,698,742,763,769,772,782,816,877,898,936,948,949,954,968,996,1022 +0414_00160 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0414_00161 6,14,20,67,76,94,101,134,144,213,220,244,308,328,335,367,456,504,508,511,536,550,566,575,626,640,727,791,800,948,968,977,1015 +0414_00162 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0414_00163 3,15,20,24,35,55,70,81,89,95,110,120,125,134,143,144,146,153,168,192,196,197,205,211,220,224,237,239,240,244,245,254,256,260,265,274,279,294,318,341,347,348,374,379,383,396,409,420,421,435,452,457,461,467,494,507,508,531,534,540,543,549,555,566,570,573,578,603,605,607,628,658,663,666,670,672,679,696,698,713,716,725,727,755,767,772,777,794,797,805,813,827,834,846,874,876,882,899,911,914,925,930,948,949,951,959,964,968,974,983,994 +0414_00164 6,56,79,134,138,220,242,304,328,367,417,453,467,488,508,515,530,626,637,640,657,713,763,799,807,819,948,968,986,989,1005 +0414_00165 15,20,44,50,89,94,134,139,153,207,216,217,245,254,281,347,364,401,505,508,540,544,586,615,626,660,663,727,772,790,791,800,823,948,951,994,1001,1014 +0414_00166 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0414_00167 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 +0414_00168 1,15,26,29,61,68,89,134,148,211,214,221,222,227,237,238,245,258,274,278,400,436,467,468,486,499,508,515,534,550,552,568,578,586,595,626,640,676,703,707,752,759,769,772,776,783,879,881,908,914,919,947,948,953,968,974,984,1022 +0414_00169 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0414_00170 1,15,20,26,29,68,77,89,104,134,158,214,222,237,245,251,276,292,315,325,336,350,400,467,492,493,499,508,515,550,566,567,586,626,640,666,676,703,716,726,733,757,769,772,782,783,830,879,908,947,948,951,968,1008,1011,1014,1022 +0414_00171 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 +0414_00172 3,15,35,41,55,70,89,95,110,120,125,134,143,144,146,152,153,192,196,197,211,224,232,237,239,240,244,245,246,252,254,256,260,265,274,279,294,318,341,347,379,383,407,420,421,435,452,457,461,467,494,507,508,509,531,534,540,543,549,555,566,570,573,603,605,607,644,652,658,663,666,670,672,679,696,698,713,716,725,727,744,749,755,767,772,777,794,797,805,813,827,842,846,876,882,886,899,911,914,925,930,948,951,959,964,968,974,983,990,994 +0414_00173 20,31,68,96,102,134,151,164,165,181,188,207,211,256,294,295,347,395,408,440,449,461,463,481,487,497,502,508,524,544,549,550,596,705,727,802,820,826,910,948,954,955,968,1018 +0414_00174 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0414_00175 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0414_00176 20,43,96,134,153,181,207,243,250,254,268,271,326,338,347,349,380,408,432,487,508,516,520,550,570,650,705,727,736,797,802,948,954,967,968,970,994,998,1011,1014 +0414_00177 20,70,134,193,207,220,243,260,288,347,360,403,452,466,501,508,515,516,520,570,604,614,644,647,686,695,727,775,779,802,814,870,948,968,970,998,1011 +0414_00178 99,108,134,136,144,146,172,180,199,236,256,260,347,353,433,449,487,508,532,549,550,564,636,670,684,687,778,812,820,824,893,898,948,954,968,979 +0414_00179 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0414_00180 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0414_00181 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0414_00182 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0414_00183 3,15,18,20,24,32,58,75,83,89,110,120,134,153,176,207,223,245,246,249,254,260,274,287,299,301,317,318,324,347,362,434,441,452,453,461,464,508,534,540,541,556,566,585,612,626,637,700,727,762,767,772,797,802,814,818,821,843,856,857,859,863,869,899,905,923,936,948,957,964,968,979,987,994,1008 +0414_00184 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0414_00185 153,259,353,394,495,508,513,630,670,700,852,948,994 +0414_00186 47,62,153,259,353,394,396,433,459,495,508,670,700,733,778,826,844,909,948,994 +0414_00187 5,20,96,134,144,145,146,153,182,196,214,217,347,376,379,388,397,405,413,421,425,470,486,487,508,510,550,596,615,617,619,628,669,670,720,727,737,741,763,765,773,800,807,838,846,872,894,948,955,968,979,985,1019 +0414_00188 3,8,15,20,43,62,146,153,175,237,265,306,349,436,508,522,524,534,665,727,788,873,915,919,948,954,994 +0414_00189 4,14,15,32,57,63,73,82,89,95,134,170,173,189,204,217,218,221,229,245,260,261,268,277,282,290,301,313,317,347,381,386,400,435,445,449,461,462,486,508,512,515,522,527,549,551,555,558,566,586,588,616,626,642,651,670,677,692,693,705,711,719,723,735,744,747,778,782,802,814,819,872,878,884,888,890,905,906,908,910,936,939,948,951,954,959,962,965,968,970,973,974,980,1009,1012 +0414_00190 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0414_00191 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00192 96,134,145,249,271,272,282,283,335,353,362,421,487,550,568,626,640,644,654,675,714,840,963,968,987,995 +0414_00193 15,20,63,67,80,89,96,102,134,153,155,174,185,189,207,224,233,347,365,408,440,441,487,508,545,550,577,616,657,658,670,699,705,707,716,725,727,739,764,781,802,852,935,947,948,951,968,979,994 +0414_00194 99,134,138,180,199,242,256,260,347,385,417,449,453,487,508,549,550,564,636,637,657,684,687,771,792,812,820,893,898,942,948,954,968,989 +0414_00195 4,13,20,21,39,61,101,134,140,144,153,193,198,200,248,278,307,347,349,354,374,405,408,461,487,508,513,516,539,549,550,559,601,614,651,689,705,727,737,773,778,781,794,874,892,898,948,962,968,977,980,988,994 +0414_00196 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0414_00197 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0414_00198 4,20,22,61,63,68,114,134,144,177,211,220,282,306,330,336,337,342,347,374,389,408,420,458,487,488,508,515,516,549,550,619,658,670,686,700,705,727,777,778,781,783,797,814,828,874,878,888,890,897,912,937,938,948,968,977 +0414_00199 96,105,134,144,145,181,207,245,246,249,260,319,329,335,343,347,356,387,390,395,405,421,459,487,488,524,526,550,561,569,626,655,659,665,684,687,732,759,812,852,881,936,942,948,968,977,979,987,1011 +0414_00200 4,20,86,96,114,126,134,141,145,207,215,246,248,249,253,322,335,345,347,421,467,487,497,502,508,515,516,521,523,549,550,596,605,643,665,705,709,715,727,778,802,806,816,868,892,936,948,968,970,987,1006,1010 +0414_00201 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0414_00202 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0414_00203 30,62,134,138,146,153,172,192,193,236,261,264,304,331,407,417,421,424,451,453,476,481,508,515,558,644,657,660,670,819,844,874,893,916,922,948,968,989,994 +0414_00204 23,47,96,118,134,145,153,168,194,216,256,310,319,340,347,405,411,421,422,429,442,446,449,487,500,505,524,542,550,564,572,605,666,734,763,808,820,838,936,943,948,953,954,968,984,994,1005,1011 +0414_00205 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0414_00206 4,6,15,20,32,40,42,58,89,115,134,151,182,189,193,201,204,223,245,254,262,267,270,303,328,347,422,431,445,454,456,461,464,477,508,515,534,540,549,550,562,573,612,631,635,636,640,654,691,692,695,705,710,711,728,762,778,794,851,868,870,882,893,908,909,935,938,948,964,968,980,1012 +0414_00207 96,134,139,145,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0414_00208 13,48,69,134,138,149,199,220,256,260,304,347,367,417,449,453,465,487,508,509,515,524,549,550,564,657,684,718,762,812,815,819,820,878,893,898,948,954,968,989 +0414_00209 59,69,74,86,96,134,135,146,153,245,256,257,272,284,314,329,330,345,347,405,411,422,433,442,487,500,505,508,524,550,592,596,603,609,633,649,654,665,714,718,746,763,795,820,842,872,915,917,948,954,968,984,994,1022 +0414_00210 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0414_00211 15,20,36,49,55,89,134,210,220,221,224,237,254,255,282,286,292,347,389,416,419,461,470,473,474,504,508,513,549,670,671,727,741,748,772,781,788,830,855,862,883,948,968,982,985 +0414_00212 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0414_00213 7,20,100,115,143,144,153,186,235,244,256,347,411,413,442,505,508,544,612,628,649,663,670,680,727,737,745,748,763,795,820,825,842,915,948,954,992,994,1021,1022 +0414_00214 20,31,55,68,96,101,129,134,144,153,181,182,211,220,223,259,260,266,287,300,334,336,347,367,381,408,426,482,487,500,508,516,517,549,550,600,606,651,696,705,710,718,719,725,727,748,767,769,800,850,945,948,955,968,993 +0414_00215 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0414_00216 13,20,26,42,60,62,95,96,134,145,153,182,207,220,257,261,270,300,308,332,338,347,367,406,407,411,413,421,432,480,487,508,522,549,550,588,607,670,702,727,781,802,827,832,863,896,898,901,948,968 +0414_00217 45,96,101,108,134,153,183,207,230,256,347,393,405,411,429,442,449,484,487,494,505,550,564,580,613,658,682,683,686,725,743,750,763,773,791,795,808,820,910,948,954,968,994,1012,1015 +0414_00218 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0414_00219 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0414_00220 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00221 57,62,153,183,271,345,347,430,492,508,525,763,778,789,815,826,948,954,973,994 +0414_00222 116,134,138,153,180,199,242,256,260,347,364,385,411,417,429,442,449,453,505,508,550,564,636,637,657,687,763,771,792,808,812,820,942,948,954,968,989,994 +0414_00223 13,31,41,75,126,134,199,220,256,260,347,367,388,404,449,465,487,515,518,549,550,564,684,812,815,820,878,892,893,898,915,941,948,954,968,1015 +0414_00224 8,96,131,133,134,145,146,153,154,172,207,230,236,256,326,347,360,363,389,393,414,421,442,461,462,487,492,502,508,516,550,571,621,726,777,795,802,817,819,820,855,867,915,948,954,968,999 +0414_00225 62,96,134,153,230,247,256,271,296,347,366,405,449,450,460,487,496,505,515,542,549,564,613,686,696,704,750,776,783,792,800,820,841,850,893,898,948,952,954,968,994 +0414_00226 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0414_00227 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0414_00228 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 +0414_00229 153,175,256,269,347,411,429,505,544,564,694,763,820,847,856,948,954,994 +0414_00230 20,62,112,135,153,197,201,211,227,336,349,363,433,508,545,622,670,707,727,748,778,816,826,843,844,852,915,941,948,994,1024 +0414_00231 15,20,43,89,153,155,210,221,237,265,343,348,349,439,452,473,474,508,539,670,684,727,738,763,772,788,838,852,883,904,915,948,994,1024 +0414_00232 59,96,134,138,145,153,180,185,207,242,256,260,310,339,347,374,385,411,417,421,449,453,468,480,487,505,508,550,592,616,636,637,657,763,769,771,792,812,820,901,942,948,954,968,987,989,994 +0414_00233 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0414_00234 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00235 1,12,15,20,26,42,87,134,144,150,153,198,207,237,326,343,347,348,381,408,413,455,461,462,476,481,487,497,498,499,505,508,520,530,531,539,544,550,560,562,563,640,663,670,705,719,727,751,753,759,768,770,781,785,802,806,812,824,825,839,844,861,863,873,915,943,946,948,963,968,973,994,1012,1019 +0414_00236 15,20,25,26,35,55,62,69,89,93,108,120,134,136,153,163,164,176,179,184,194,198,207,219,220,230,236,238,245,250,254,255,260,263,265,266,268,273,274,281,285,294,297,301,305,313,318,326,327,341,347,353,355,357,368,376,382,391,416,425,438,461,467,473,474,477,485,492,503,508,516,521,534,548,549,552,562,563,569,574,583,601,604,626,631,646,651,655,673,682,697,704,709,726,727,732,751,756,761,762,767,782,786,789,795,802,813,819,825,829,830,834,837,840,848,855,869,883,884,885,887,897,906,916,917,918,924,933,934,936,945,947,948,960,964,968,973,974,978,979,984,994 +0414_00237 99,134,147,174,199,220,256,260,347,370,449,478,487,549,550,556,564,577,636,684,687,812,820,871,893,898,915,927,948,954,968 +0414_00238 15,20,45,47,54,55,58,62,79,89,115,134,153,172,220,270,272,282,283,314,345,353,410,440,443,454,456,515,542,568,601,626,640,715,737,746,762,767,772,778,782,786,800,826,931,939,941,948,968,977,994,1007,1013,1014,1021,1022 +0414_00239 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0414_00240 153,256,304,343,347,382,411,442,505,649,659,679,763,789,795,820,842,915,948,954,994,1022 +0414_00241 1,6,15,44,45,73,82,84,89,95,96,129,134,142,145,150,156,180,221,234,245,246,249,263,272,281,309,326,335,343,395,421,427,434,456,458,461,486,487,498,501,508,540,544,550,578,585,592,626,632,638,640,644,654,656,665,680,681,714,748,816,846,861,908,936,943,964,968,974,987,989,990,1001,1024 +0414_00242 1,19,34,96,98,114,134,144,153,155,178,183,209,214,270,274,281,295,347,360,365,366,388,405,430,486,487,493,494,504,550,580,612,616,661,718,725,742,771,780,781,786,791,800,831,842,863,908,914,948,960,968,974,977,1012 +0414_00243 20,38,96,109,134,144,145,161,206,207,256,260,268,278,286,326,347,421,461,483,487,502,511,515,516,530,550,575,589,605,657,671,714,722,779,802,820,824,866,867,871,877,883,948,968,977,983,1004,1019 +0414_00244 14,15,20,26,34,57,73,91,134,144,153,220,222,237,240,245,284,316,347,367,426,443,451,461,508,515,520,634,640,652,656,659,674,681,683,685,686,687,718,720,727,767,777,781,784,814,815,841,866,924,939,948,963,968,977,993,994 +0414_00245 15,26,45,54,55,62,67,79,80,85,89,104,134,149,153,193,199,209,220,244,267,270,272,282,283,334,345,353,410,412,451,456,461,492,499,515,524,568,573,601,626,640,715,746,767,772,778,784,786,797,826,872,941,948,963,968,977,994,1013,1022 +0414_00246 20,31,45,62,68,96,134,151,153,159,165,207,211,231,242,254,292,347,436,487,508,544,550,567,589,652,727,778,807,826,855,866,889,948,968,977,994,1006,1008,1017 diff --git a/processed_data/0414/0414_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0414/0414_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..b20270529 --- /dev/null +++ b/processed_data/0414/0414_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,247 @@ +id bits.on +0414_00001 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0414_00002 15,73,81,89,116,134,183,245,272,298,332,380,381,385,393,405,419,464,487,508,524,543,550,585,618,651,667,683,686,688,706,725,772,898,905,948,968,1022 +0414_00003 15,73,81,89,116,134,175,183,237,272,298,371,380,385,393,405,419,487,524,543,550,585,620,651,666,683,686,725,752,772,928,929,937,948,968 +0414_00004 15,54,89,134,405,426,481,516,529,531,613,640,653,656,713,772,797,852,887,900,948,952,970,997 +0414_00005 64,134,219,359,405,481,488,578,628,662,709,887,968 +0414_00006 23,134,201,246,335,343,481,550,617,665,716,862,887,936,968 +0414_00007 29,34,134,153,167,207,227,279,390,474,487,515,516,527,550,586,626,640,647,658,659,667,676,781,792,802,845,867,904,940,948,968,998,1007 +0414_00008 15,62,80,81,87,110,116,119,132,134,153,195,208,220,245,259,272,385,393,398,399,405,426,439,487,508,524,539,550,568,571,585,618,623,624,625,628,642,662,676,725,794,805,806,825,829,843,850,926,948,968 +0414_00009 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0414_00010 25,41,62,64,67,134,189,206,216,245,317,405,422,479,506,508,515,517,524,533,582,585,614,620,662,681,686,787,794,806,876,948,968,984 +0414_00011 57,338,346,347,425,481,487,508,549,678,807,915,948,954,955,1015 +0414_00012 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0414_00013 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0414_00014 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0414_00015 134,146,162,172,201,236,407,479,481,508,532,550,558,617,716,862,874,883,887,893,968 +0414_00016 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0414_00017 20,51,73,74,117,134,144,220,243,260,288,292,347,367,434,465,466,508,515,516,520,550,570,593,630,670,722,727,792,812,819,833,948,968,970,998,1011 +0414_00018 20,57,125,214,241,347,370,487,508,516,549,678,727,762,884,893,911,915,948,954,960,1009,1015 +0414_00019 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0414_00020 15,49,89,122,144,212,470,612,662,670,696,773,779,789,799,883,948,951,997 +0414_00021 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0414_00022 15,175,227,259,298,310,326,381,384,404,435,461,508,524,618,700,771,780,837 +0414_00023 20,57,115,153,206,248,282,339,347,366,383,416,442,487,508,516,549,570,672,713,727,789,915,948,954,983,987,998 +0414_00024 20,52,62,144,153,240,245,270,287,347,360,413,430,508,513,516,544,557,592,643,655,670,727,739,761,778,830,844,847,872,893,948,970,994 +0414_00025 47,96,120,134,145,204,213,220,229,245,266,302,392,421,425,459,481,487,508,524,550,572,588,603,610,678,686,722,887,935,943,948,968,1000 +0414_00026 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0414_00027 15,175,237,259,384,435,508,524,618,700,706,771,954 +0414_00028 14,20,65,144,190,243,259,292,347,451,494,508,516,543,550,570,579,598,631,645,649,727,761,787,850,863,913,931,948,970,977,998,1014 +0414_00029 23,67,82,114,134,138,153,205,220,326,395,405,416,417,447,453,481,508,524,554,578,626,657,658,666,710,741,835,878,948,968,973,989 +0414_00030 13,96,134,145,167,207,257,274,390,421,487,514,516,550,601,617,626,631,647,725,802,891,948,958,968,994,998,1002 +0414_00031 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0414_00032 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0414_00033 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0414_00034 1,15,20,41,62,89,111,115,153,160,168,206,207,218,221,284,299,303,324,345,347,379,390,416,455,461,477,485,498,500,508,516,524,554,562,569,603,606,626,645,662,666,686,687,699,710,719,727,739,776,797,802,810,843,850,866,887,915,936,948,959,964,974,994,1008,1015 +0414_00035 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0414_00036 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0414_00037 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0414_00038 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0414_00039 15,24,87,91,96,134,141,153,185,207,270,278,281,290,422,445,461,481,496,515,550,642,768,797,802,873,910,917,927,948,968,973,989,1012 +0414_00040 15,17,20,23,26,46,51,57,65,66,94,134,148,153,158,175,227,233,245,265,299,340,356,377,393,405,436,456,508,524,554,575,580,607,611,613,622,626,641,648,654,662,689,727,745,770,783,827,863,931,938,946,948,951,968,972,994,1009,1012 +0414_00041 20,37,144,146,190,197,236,243,259,317,347,474,492,508,516,543,550,570,598,631,645,652,727,787,850,884,948,970,971,977,998,1014 +0414_00042 62,96,134,145,153,207,230,270,421,472,487,516,550,558,585,588,592,594,635,802,948,953,968,989,994,998,1020 +0414_00043 1,11,15,20,26,41,42,50,54,89,132,134,159,175,222,226,231,275,276,285,291,317,318,331,332,347,353,374,437,444,461,473,478,494,496,507,508,512,516,524,534,540,550,561,592,626,631,640,664,666,686,695,713,727,739,761,762,774,834,838,850,886,891,905,948,968,970,976,982,994,1014 +0414_00044 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0414_00045 96,119,134,141,146,148,154,200,223,350,405,461,485,487,503,506,547,550,552,558,569,592,596,615,654,662,692,717,786,797,862,867,872,914,955,968 +0414_00046 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0414_00047 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0414_00048 5,15,24,91,134,153,185,189,207,270,278,279,281,286,290,363,400,422,445,461,515,516,550,642,768,797,802,806,873,910,948,968,973,989,994,998,1012 +0414_00049 20,55,61,111,112,243,259,323,347,508,516,570,604,617,645,655,698,727,762,777,787,915,948,957,970,998,1015 +0414_00050 20,28,74,95,98,133,134,146,162,172,201,236,300,347,461,481,482,508,516,532,533,549,550,617,647,713,716,727,770,862,879,887,948,968,970 +0414_00051 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0414_00052 20,30,57,146,153,347,362,365,412,486,487,508,510,516,549,555,570,574,614,727,762,775,832,850,928,948,954,994,995,998,1022 +0414_00053 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0414_00054 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0414_00055 1,11,15,23,26,41,42,50,54,89,109,134,153,159,173,175,182,222,232,253,276,285,286,318,331,347,353,374,378,402,419,437,444,461,473,478,496,505,512,524,534,537,540,550,557,561,602,626,631,666,686,705,709,713,717,727,739,750,764,800,838,872,891,893,905,936,948,968,994,1014 +0414_00056 58,62,96,134,145,149,153,207,230,246,251,270,279,304,363,411,421,455,487,516,550,558,588,802,892,948,968,989,994,1019 +0414_00057 134,182,220,222,242,304,367,480,481,487,550,705,781,845,887,948,968 +0414_00058 20,25,26,72,84,89,116,123,134,144,147,163,197,228,245,265,277,283,326,341,353,363,376,417,418,423,432,452,466,473,476,481,487,499,508,510,517,550,552,573,584,601,626,640,669,670,683,696,698,700,702,715,719,727,729,739,773,781,799,831,833,847,855,905,908,920,936,943,945,946,948,968,1006 +0414_00059 15,24,58,91,134,149,153,185,207,251,270,278,279,281,290,304,363,400,411,422,445,455,461,515,516,550,642,768,797,802,873,910,948,954,968,973,989,994,1012,1019 +0414_00060 15,20,24,33,40,51,55,79,89,94,112,129,134,153,161,174,186,189,194,245,252,259,268,283,347,357,390,400,405,451,456,463,481,492,507,508,513,516,517,524,544,549,569,600,603,615,626,637,639,677,701,713,725,727,752,762,767,773,783,799,806,833,834,882,883,886,887,916,935,948,951,964,968,970,986,989,996,997,1003 +0414_00061 15,20,89,96,118,128,132,134,145,146,153,167,207,221,228,266,286,326,347,359,419,421,445,487,508,512,524,536,550,572,576,601,626,647,686,727,762,772,824,860,863,866,904,919,942,948,964,968,1000 +0414_00062 20,32,45,96,134,138,144,196,203,259,267,275,288,300,344,347,361,394,407,408,482,487,495,496,508,516,517,540,549,550,565,578,591,596,642,646,697,727,752,761,776,810,832,843,850,856,881,913,948,968,970,999 +0414_00063 4,7,20,30,57,144,175,266,347,365,392,412,486,487,508,510,549,574,599,646,670,675,727,762,775,832,850,948,954,994,995 +0414_00064 15,111,165,175,237,259,384,435,486,508,524,618,700,706,771,788,954 +0414_00065 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0414_00066 15,20,26,72,82,85,89,93,123,134,139,144,152,197,217,228,245,269,271,277,283,326,341,353,376,418,432,452,473,476,481,487,499,508,510,525,550,552,573,584,601,626,640,670,683,687,696,700,702,710,715,727,739,743,749,773,781,799,824,847,855,905,909,924,942,943,945,946,948,964,968 +0414_00067 20,26,65,117,134,143,144,168,209,220,270,304,330,347,366,380,403,405,508,520,581,584,599,613,670,673,708,727,740,743,799,825,901,948,975,1016 +0414_00068 5,15,27,35,54,79,122,134,144,153,170,175,190,194,206,207,227,251,292,298,310,344,347,381,390,405,461,516,524,530,555,582,592,626,686,708,709,714,753,773,779,789,800,810,811,812,814,837,931,933,934,948,973,977 +0414_00069 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0414_00070 1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0414_00071 15,20,89,95,96,99,118,134,145,151,212,266,272,298,300,307,310,345,347,352,355,359,394,401,421,430,445,466,478,487,508,524,549,550,551,580,651,686,692,709,714,727,746,762,772,828,849,886,897,898,933,948,964,968,1021 +0414_00072 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0414_00073 3,15,25,26,33,34,39,47,72,78,89,99,105,108,116,134,136,144,153,162,173,174,178,180,184,185,200,211,234,237,245,254,260,278,300,309,315,318,320,325,329,335,336,347,350,355,361,382,391,395,458,461,466,467,473,485,493,499,502,508,518,534,540,549,557,569,585,590,604,621,626,637,649,670,677,687,695,696,704,707,711,712,718,719,723,726,734,738,761,767,768,772,787,797,806,819,822,825,826,850,855,869,881,890,908,910,911,928,930,936,940,946,948,952,955,960,962,964,966,968,974,986,989,998,1008 +0414_00074 20,24,49,78,96,98,134,139,144,145,278,381,421,487,508,516,530,536,550,595,599,659,670,727,883,948,968,1011 +0414_00075 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0414_00076 15,20,24,26,59,84,89,94,96,108,116,117,128,134,141,145,167,192,207,245,311,351,364,371,396,421,481,487,492,499,508,516,524,544,547,550,593,601,603,614,618,624,626,636,647,677,679,727,766,773,792,833,851,864,904,917,948,968,1007 +0414_00077 20,26,49,50,52,68,94,134,153,207,219,245,248,266,270,273,275,288,289,317,347,391,393,405,409,417,433,447,453,456,499,506,508,515,516,548,549,578,579,580,607,622,625,626,662,664,725,727,747,753,802,913,928,942,948,955,968,1021 +0414_00078 15,26,56,60,85,89,102,134,156,172,177,209,222,245,252,262,272,285,296,302,320,340,401,413,420,424,447,461,495,499,504,508,513,517,560,561,567,568,569,580,609,610,626,690,761,772,818,841,846,851,855,859,861,879,893,919,926,927,936,948,954,964,968,978,987,990,1012 +0414_00079 3,14,20,37,51,96,101,129,134,140,145,177,184,197,213,230,278,300,347,350,353,405,407,421,451,465,482,487,506,508,515,516,549,550,568,594,596,609,615,626,662,669,696,701,712,717,727,792,797,824,875,948,968,970,997,1023 +0414_00080 14,28,58,75,134,153,292,399,405,435,468,516,531,580,600,613,615,654,915,917,918,948,953,994,1000,1015 +0414_00081 20,26,31,72,84,89,106,124,134,144,165,197,201,202,225,228,245,250,260,277,283,310,326,341,353,363,418,432,452,460,466,481,487,508,510,517,550,552,573,592,601,603,625,626,640,664,670,683,696,700,702,703,719,727,729,773,781,799,814,831,847,855,908,910,915,936,943,945,948,968,991,1006 +0414_00082 28,33,53,75,134,193,207,336,399,405,407,516,520,531,563,580,613,615,702,712,735,802,848,886,915,917,918,925,948,953,998,1015 +0414_00083 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0414_00084 25,33,50,53,134,193,207,257,343,347,405,407,516,520,531,549,582,613,671,778,802,848,902,916,918,948 +0414_00085 57,153,183,347,411,447,486,505,508,763,948,954,977,994 +0414_00086 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0414_00087 20,30,57,194,300,347,365,412,482,486,487,508,510,549,574,652,727,733,737,762,775,832,850,930,948,954,975,994,995 +0414_00088 17,20,26,35,50,68,83,108,134,151,207,220,221,245,248,273,298,300,317,347,366,405,409,417,433,499,506,508,515,542,548,549,550,579,625,652,654,662,686,727,802,812,840,867,871,948,955,968,970,984 +0414_00089 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0414_00090 13,15,20,24,56,62,65,89,93,94,96,123,134,145,153,175,178,190,207,231,237,270,284,307,311,347,367,371,397,408,415,421,431,477,487,502,505,508,513,516,523,524,540,544,550,569,588,626,642,645,663,669,677,686,727,772,776,786,802,814,827,851,863,906,921,935,948,968,994 +0414_00091 14,28,50,58,134,144,153,168,201,231,237,240,257,347,405,435,468,516,531,549,582,591,613,671,676,714,739,740,778,916,918,948,961,977,994,1000 +0414_00092 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0414_00093 20,51,134,136,153,260,278,317,347,358,459,464,505,508,516,530,550,595,659,727,750,762,777,785,800,812,873,934,948,960,968,994 +0414_00094 1,20,57,95,134,138,156,173,250,259,275,297,309,348,354,374,381,407,417,425,453,461,508,516,539,550,552,620,624,626,635,640,642,657,663,676,681,727,733,748,752,824,832,850,860,890,897,901,947,966,968,989 +0414_00095 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0414_00096 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0414_00097 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0414_00098 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0414_00099 20,26,134,144,168,207,287,379,405,425,436,464,488,493,500,504,508,516,520,557,570,605,670,727,773,809,863,898,930,937,948,977,998,1011 +0414_00100 15,20,63,96,105,134,153,155,205,251,341,429,433,440,478,481,482,487,489,508,522,550,560,577,616,657,659,719,725,727,739,781,935,945,968 +0414_00101 15,29,51,89,99,117,134,144,174,210,237,245,258,266,310,327,367,405,445,465,473,508,509,524,570,585,615,670,671,686,725,729,744,761,772,788,836,940,948,957,1012,1024 +0414_00102 3,15,24,25,26,32,34,39,78,83,87,89,105,128,134,136,144,153,157,167,173,174,184,185,192,200,220,244,245,254,260,278,302,309,315,320,325,335,336,347,355,382,385,388,391,396,442,443,448,449,452,461,463,467,468,471,493,499,501,508,518,534,540,549,553,555,557,566,576,590,591,626,649,670,677,689,696,700,703,704,709,711,718,719,761,762,767,768,780,797,806,819,825,850,855,858,866,869,870,873,875,878,881,890,891,910,911,930,933,936,948,952,953,955,960,962,964,966,968,974,986,994,1007,1021 +0414_00103 1,15,83,97,134,175,180,234,245,317,326,332,336,374,385,417,487,498,505,507,508,524,550,554,608,610,641,780,781,830,968,971,986,1010,1022 +0414_00104 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0414_00105 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0414_00106 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0414_00107 11,20,37,51,62,93,129,134,140,146,153,174,197,230,261,278,293,300,347,350,363,405,407,439,482,506,508,515,516,549,550,577,596,609,615,626,662,669,696,698,702,717,727,797,818,847,875,884,915,948,968,970,975,994 +0414_00108 20,37,51,96,129,134,140,145,153,197,230,278,298,300,347,350,365,369,390,405,407,410,421,453,482,487,506,508,515,516,548,549,550,555,596,609,615,626,635,662,669,696,717,727,754,797,875,897,898,927,948,968,970,1011,1017 +0414_00109 15,20,24,39,58,70,75,81,83,89,94,122,134,153,155,175,194,204,207,216,221,226,231,235,238,254,256,260,275,307,318,345,347,390,391,442,452,468,480,500,508,511,519,526,533,578,583,623,626,630,711,727,731,762,767,773,779,783,791,797,802,814,835,863,886,936,948,959,964,968,994,999,1008 +0414_00110 15,20,24,26,59,62,81,82,84,89,94,96,128,134,145,153,192,245,270,311,351,366,371,396,421,487,492,499,508,516,522,524,547,550,588,593,603,624,626,636,677,702,727,743,766,768,773,807,833,851,887,901,904,948,968,1002,1007 +0414_00111 13,15,20,52,134,153,170,175,182,193,220,223,245,261,298,347,367,413,461,480,487,497,508,524,532,539,549,550,575,613,627,641,657,670,679,717,727,758,778,781,798,898,948,968,1001,1008,1012,1018 +0414_00112 20,73,74,109,134,220,243,260,288,347,466,487,508,514,515,516,520,550,570,633,644,686,727,771,781,802,815,948,961,968,970,998,999,1011 +0414_00113 20,26,50,63,67,68,89,94,96,134,183,207,232,245,248,266,273,289,317,405,409,417,429,433,446,447,456,476,487,494,499,506,508,515,516,536,538,548,550,577,578,579,613,625,626,662,727,747,760,802,858,863,901,928,935,948,955,968,1012 +0414_00114 15,17,19,24,26,82,89,92,103,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,251,260,290,303,327,347,380,391,393,404,406,411,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,620,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,856,869,906,919,930,936,948,958,962,963,964,974,983,984,985,994,1021 +0414_00115 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0414_00116 15,24,26,50,52,89,92,103,105,109,118,130,134,144,153,155,165,168,173,174,180,200,211,223,225,237,244,245,249,259,260,272,280,288,298,303,313,327,331,332,347,366,367,380,382,391,393,398,404,406,422,425,430,433,444,461,466,467,468,473,488,493,499,508,533,534,545,548,549,554,557,569,572,579,584,590,597,612,626,639,670,679,696,704,719,723,726,734,776,780,795,819,837,851,852,854,855,867,869,898,906,919,925,936,948,962,963,964,974,983,984,985,987,994,1021 +0414_00117 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0414_00118 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0414_00119 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0414_00120 17,20,26,51,65,94,134,153,158,178,220,226,245,260,306,340,405,429,456,508,524,541,550,554,611,613,626,628,648,654,689,726,727,731,776,781,783,827,863,938,946,948,968,972,994,1020 +0414_00121 44,79,93,134,138,226,242,271,304,353,417,453,474,508,515,550,626,637,640,657,697,709,792,819,937,968,989,990,1023 +0414_00122 20,24,26,49,74,98,109,134,144,184,230,260,278,306,347,381,410,421,465,466,483,487,508,515,516,520,530,536,550,589,599,611,629,670,676,714,727,777,781,804,821,948,961,968,970,977,1011 +0414_00123 20,96,134,139,145,220,260,381,405,421,451,487,515,516,530,531,550,613,643,648,722,824,880,907,910,916,948,968,971,988,1003,1013 +0414_00124 15,20,31,53,63,68,70,94,96,114,134,155,211,228,254,278,298,350,366,374,456,467,469,485,487,508,516,550,560,577,587,594,616,626,657,714,725,727,739,781,847,858,928,935,966,968,1004,1016 +0414_00125 20,47,55,72,111,112,144,237,259,273,300,307,323,347,458,508,604,617,620,645,670,698,727,762,770,825,873,915,948,1015,1024 +0414_00126 20,57,143,153,198,206,207,280,343,347,372,378,398,408,479,487,505,508,511,519,544,549,640,653,663,713,727,752,754,762,777,790,863,892,915,948,954,967,994 +0414_00127 26,32,49,63,100,107,134,153,185,209,220,251,260,347,358,397,445,447,459,499,505,511,515,522,550,559,582,602,649,651,654,662,689,695,710,742,750,797,800,812,948,968,993,994 +0414_00128 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0414_00129 47,96,120,134,142,145,204,207,213,220,221,229,245,315,353,421,459,487,508,524,527,550,564,572,588,603,610,612,632,686,737,779,802,943,948,968,1000 +0414_00130 20,49,50,52,74,84,90,96,108,122,134,146,153,181,188,221,236,257,278,280,347,385,405,408,430,439,461,464,476,487,505,508,516,531,549,550,553,613,645,671,679,692,705,727,743,772,778,800,822,833,847,873,916,918,926,947,948,953,968,992 +0414_00131 3,8,15,20,68,89,134,138,146,160,172,191,197,209,213,214,225,236,237,245,248,276,298,302,304,331,346,355,417,453,508,515,532,550,657,709,727,745,757,813,819,828,836,857,932,948,968,989,1006,1008,1012,1022 +0414_00132 3,14,15,20,26,33,34,49,55,59,89,99,105,134,136,144,153,155,156,162,173,174,178,184,185,200,207,217,227,245,251,254,260,278,286,309,318,320,325,336,347,355,362,376,382,395,398,420,456,458,461,466,467,473,485,493,499,502,508,511,518,534,537,540,549,561,563,567,568,590,600,604,612,626,640,649,670,671,677,687,696,704,707,711,712,718,719,723,726,727,745,762,765,767,768,770,788,797,802,806,819,822,825,850,855,866,885,886,890,910,911,936,940,948,955,957,960,962,964,966,968,974,982,985,986,991,1009 +0414_00133 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0414_00134 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0414_00135 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0414_00136 20,31,68,74,84,90,96,108,134,146,151,168,188,211,220,221,236,260,278,300,326,347,380,405,461,487,505,508,515,516,531,549,550,553,568,599,604,613,722,727,772,787,822,832,840,868,873,887,910,916,918,948,968,988,992 +0414_00137 15,89,106,108,111,131,134,144,153,194,207,214,226,232,255,260,270,279,281,381,398,413,415,444,456,461,493,504,518,524,550,558,726,764,773,780,802,831,863,880,934,948,968,974,977,985,989,994,1000 +0414_00138 15,88,111,131,134,144,153,175,207,214,232,237,270,281,297,413,444,454,493,504,524,550,558,606,646,647,764,773,780,788,802,831,863,934,948,954,968,974,977,985,989,994,1000 +0414_00139 15,26,32,55,60,62,89,91,120,130,134,144,153,209,212,222,232,254,328,347,350,431,456,461,509,534,544,568,620,652,670,704,711,762,768,772,812,817,829,844,852,908,916,948,977,987,994,1000,1019 +0414_00140 15,75,89,134,144,191,223,237,240,399,405,516,531,580,613,615,640,653,689,714,723,739,740,772,863,900,915,917,918,948,953,961,970,977,997,1015 +0414_00141 20,37,51,59,96,129,134,140,145,146,174,197,230,278,300,347,350,370,405,407,421,439,468,482,487,490,506,508,515,516,539,546,549,550,577,596,609,615,626,635,662,669,696,717,727,797,847,871,875,903,915,927,948,968,970,991 +0414_00142 76,96,117,134,144,145,154,167,177,207,231,286,350,421,484,487,532,550,601,647,670,700,737,773,778,888,905,948,966,968 +0414_00143 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0414_00144 15,57,88,110,134,153,175,177,187,207,245,252,254,299,310,347,360,378,403,411,453,465,505,508,524,529,570,623,634,637,763,773,791,802,809,915,925,948,954,994,1020 +0414_00145 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0414_00146 15,20,24,26,59,84,89,94,96,103,128,134,145,156,192,203,220,222,245,249,255,289,311,335,351,354,371,374,396,405,412,418,421,461,464,487,492,499,508,509,516,524,535,547,550,593,601,603,624,626,636,677,701,710,727,766,768,773,774,789,826,833,851,864,904,948,968,980,987,1007,1021 +0414_00147 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0414_00148 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0414_00149 108,134,136,144,146,185,220,236,237,343,372,508,516,522,530,542,550,667,670,686,737,752,763,809,875,910,933,948,968 +0414_00150 20,23,32,43,69,75,96,134,153,155,181,222,243,347,380,408,420,487,490,508,516,520,545,550,570,593,696,705,719,727,742,835,868,915,945,948,968,970,994,998,1011 +0414_00151 91,134,144,198,214,346,434,550,620,626,640,676,727,732,733,756,863,947,948,968,977 +0414_00152 14,28,51,58,75,134,153,193,207,240,241,292,398,399,405,435,468,487,488,516,531,580,600,613,615,689,802,829,848,901,915,917,918,925,948,953,994,1000,1015 +0414_00153 15,20,78,96,134,139,145,177,186,209,220,249,252,255,277,278,298,348,374,381,421,443,456,461,477,487,508,516,530,550,561,589,593,630,635,659,727,773,777,890,948,968,978,998,1012 +0414_00154 20,24,38,49,83,98,134,136,144,161,217,260,267,278,344,347,505,508,516,530,536,549,550,599,659,666,670,727,778,802,812,871,873,883,948,968,980,1011 +0414_00155 1,5,15,26,29,31,49,60,68,78,85,87,89,92,131,134,222,251,257,276,285,315,325,370,398,415,467,499,515,550,566,608,621,626,634,640,648,653,672,676,733,748,769,772,811,830,879,892,908,936,939,945,947,948,968,1022 +0414_00156 14,116,134,153,199,205,256,260,347,364,411,429,442,449,451,469,494,505,508,517,550,564,636,687,708,763,808,812,820,824,840,878,948,954,968,994,1023 +0414_00157 20,43,96,134,181,207,226,243,247,271,326,347,380,408,432,487,508,516,520,550,570,630,671,702,705,727,779,802,948,954,967,968,970,998,1011,1014 +0414_00158 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0414_00159 5,15,25,26,31,49,60,72,85,87,89,131,134,141,148,222,245,255,276,285,291,311,315,351,357,370,399,452,477,499,508,513,566,595,603,608,626,755,768,772,774,801,836,849,875,892,936,944,945,948,968,969,1019,1022 +0414_00160 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0414_00161 6,14,20,67,76,94,101,134,144,213,220,244,308,328,335,367,456,504,508,511,536,550,566,575,626,640,727,791,800,948,968,977,1015 +0414_00162 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0414_00163 3,15,18,23,42,46,47,71,72,87,89,100,103,110,116,134,139,144,146,153,154,159,165,174,195,200,202,203,211,215,216,220,237,239,244,245,254,260,279,283,299,300,320,325,329,335,345,347,356,361,367,382,383,403,414,420,424,431,461,467,486,493,508,533,534,540,549,566,568,573,575,577,621,634,651,659,670,691,696,707,719,730,734,742,755,760,767,772,773,783,787,797,809,824,827,833,834,864,875,887,901,904,911,948,964,968,974,990,994,995 +0414_00164 6,56,79,134,138,220,242,304,328,367,417,453,467,488,508,515,530,626,637,640,657,713,763,799,807,819,948,968,986,989,1005 +0414_00165 15,20,44,50,89,94,134,139,153,207,216,217,245,254,281,347,364,401,505,508,540,544,586,615,626,660,663,727,772,790,791,800,823,948,951,994,1001,1014 +0414_00166 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0414_00167 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 +0414_00168 1,15,26,29,60,61,68,86,89,111,131,134,148,186,211,222,227,237,245,254,274,278,293,305,380,386,436,467,472,499,508,515,550,553,566,578,586,626,640,676,679,703,707,733,743,752,769,772,841,879,881,892,895,908,947,948,968,974,1022 +0414_00169 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0414_00170 1,15,26,29,68,85,89,92,109,134,149,159,222,245,251,254,257,276,297,315,325,348,398,400,415,420,467,472,477,496,499,508,515,550,566,586,601,621,626,634,640,648,676,703,733,769,772,811,830,841,879,908,939,947,948,968,1022 +0414_00171 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 +0414_00172 3,15,18,23,42,46,47,72,89,100,110,116,129,134,139,144,146,153,154,159,165,167,171,174,195,200,202,203,211,215,216,237,239,244,245,254,257,260,279,283,299,300,318,320,325,329,335,345,347,361,382,383,403,409,414,420,423,461,467,486,493,495,504,508,534,540,549,566,568,573,575,577,621,634,651,659,663,670,691,696,707,730,734,755,760,767,772,773,787,797,827,864,871,875,887,890,901,904,911,948,964,968,974,979,990,994,995,1008,1013 +0414_00173 20,31,68,96,102,134,151,164,165,181,188,207,211,256,294,295,347,395,408,440,449,461,463,481,487,497,502,508,524,544,549,550,596,705,727,802,820,826,910,948,954,955,968,1018 +0414_00174 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0414_00175 20,37,70,75,134,136,220,243,260,288,325,347,367,421,441,465,466,508,515,516,520,570,727,775,806,841,915,939,948,968,970,998,1011,1015 +0414_00176 20,43,96,134,153,181,207,243,250,254,268,271,326,338,347,349,380,408,432,487,508,516,520,550,570,650,705,727,736,797,802,948,954,967,968,970,994,998,1011,1014 +0414_00177 20,70,134,193,207,220,243,260,288,347,360,403,452,466,501,508,515,516,520,570,604,614,644,647,686,695,727,775,779,802,814,870,948,968,970,998,1011 +0414_00178 99,108,134,136,144,146,172,180,199,236,256,260,347,353,433,449,487,508,532,549,550,564,636,670,684,687,778,812,820,824,893,898,948,954,968,979 +0414_00179 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0414_00180 66,86,134,153,220,245,256,310,347,405,425,433,442,445,455,487,500,508,524,539,549,592,594,609,748,773,778,780,795,809,811,820,854,876,900,915,947,948,954,1019 +0414_00181 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0414_00182 59,69,74,86,96,134,135,146,153,220,245,256,257,272,284,314,329,330,345,347,405,422,433,442,455,487,500,508,524,549,550,592,596,603,609,654,665,714,718,746,748,795,820,872,915,917,948,954,968,984 +0414_00183 3,6,15,20,24,32,58,64,75,83,85,89,93,134,153,155,171,189,207,221,238,245,254,256,260,274,275,287,301,317,318,345,347,362,377,383,415,433,452,461,468,500,508,515,533,534,540,547,557,566,578,626,630,710,727,731,762,772,791,797,802,814,818,845,863,870,912,936,938,948,959,964,965,968,974,987,988,994,996,1008 +0414_00184 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0414_00185 153,259,353,394,495,508,513,630,670,700,852,948,994 +0414_00186 47,62,153,259,353,394,396,433,459,495,508,670,700,733,778,826,844,909,948,994 +0414_00187 5,20,96,134,144,145,146,153,182,196,214,217,347,376,379,388,397,405,413,421,425,470,486,487,508,510,550,596,615,617,619,628,669,670,720,727,737,741,763,765,773,800,807,838,846,872,894,948,955,968,979,985,1019 +0414_00188 3,8,15,20,43,62,146,153,175,237,265,306,349,436,508,522,524,534,665,727,788,873,915,919,948,954,994 +0414_00189 4,7,14,15,38,51,57,63,65,73,89,95,134,168,189,198,204,226,234,245,260,261,268,277,278,282,290,300,334,337,347,388,408,445,449,461,486,489,493,508,515,516,522,531,549,551,558,561,566,588,590,594,616,626,642,665,670,692,700,705,711,713,719,733,735,738,744,747,778,782,798,814,823,843,851,856,872,884,888,906,908,910,936,948,954,955,962,968,970,973,974,980,995,1009,1012,1019 +0414_00190 47,70,96,134,145,153,194,245,256,310,330,347,357,372,374,378,381,405,411,421,429,442,449,452,487,505,508,509,524,530,550,551,564,572,576,599,633,638,659,700,763,784,808,820,821,854,943,948,954,957,968,994 +0414_00191 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00192 96,134,145,249,271,272,282,283,335,353,362,421,487,550,568,626,640,644,654,675,714,840,963,968,987,995 +0414_00193 15,20,63,67,80,89,96,102,134,153,155,174,185,189,207,224,233,347,365,408,440,441,487,508,545,550,577,616,657,658,670,699,705,707,716,725,727,739,764,781,802,852,935,947,948,951,968,979,994 +0414_00194 99,134,138,180,199,242,256,260,347,385,417,449,453,487,508,549,550,564,636,637,657,684,687,771,792,812,820,893,898,942,948,954,968,989 +0414_00195 4,13,20,21,39,61,101,134,140,144,153,193,198,200,248,278,307,347,349,354,374,405,408,461,487,508,513,516,539,549,550,559,601,614,651,689,705,727,737,773,778,781,794,874,892,898,948,962,968,977,980,988,994 +0414_00196 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0414_00197 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0414_00198 4,20,22,61,63,68,114,134,144,177,211,220,282,306,330,336,337,342,347,374,389,408,420,458,487,488,508,515,516,549,550,619,658,670,686,700,705,727,777,778,781,783,797,814,828,874,878,888,890,897,912,937,938,948,968,977 +0414_00199 96,105,134,144,145,181,207,245,246,249,260,319,329,335,343,347,356,387,390,395,405,421,459,487,488,524,526,550,561,569,626,655,659,665,684,687,732,759,812,852,881,936,942,948,968,977,979,987,1011 +0414_00200 4,20,86,96,114,126,134,141,145,207,215,246,248,249,253,322,335,345,347,421,467,487,497,502,508,515,516,521,523,549,550,596,605,643,665,705,709,715,727,778,802,806,816,868,892,936,948,968,970,987,1006,1010 +0414_00201 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0414_00202 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0414_00203 30,62,134,138,146,153,172,192,193,236,261,264,304,331,407,417,421,424,451,453,476,481,508,515,558,644,657,660,670,819,844,874,893,916,922,948,968,989,994 +0414_00204 23,47,96,118,134,145,153,168,194,216,256,310,319,340,347,405,411,421,422,429,442,446,449,487,500,505,524,542,550,564,572,605,666,734,763,808,820,838,936,943,948,953,954,968,984,994,1005,1011 +0414_00205 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0414_00206 4,6,9,15,20,40,42,49,58,89,115,134,151,173,189,193,245,328,347,351,422,445,454,456,461,477,508,515,526,532,534,539,540,547,549,550,564,573,631,636,640,654,691,695,705,708,711,720,728,747,749,762,773,778,834,852,868,878,882,893,908,938,948,967,968,978,980,983,985,1012,1017 +0414_00207 96,134,139,145,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0414_00208 13,48,69,134,138,149,199,220,256,260,304,347,367,417,449,453,465,487,508,509,515,524,549,550,564,657,684,718,762,812,815,819,820,878,893,898,948,954,968,989 +0414_00209 59,69,74,86,96,134,135,146,153,245,256,257,272,284,314,329,330,345,347,405,411,422,433,442,487,500,505,508,524,550,592,596,603,609,633,649,654,665,714,718,746,763,795,820,842,872,915,917,948,954,968,984,994,1022 +0414_00210 45,47,57,96,134,145,153,297,347,396,411,421,468,487,489,505,508,529,550,577,615,635,644,763,788,830,915,948,954,968,994 +0414_00211 15,20,36,49,55,89,134,210,220,221,224,237,254,255,282,286,292,347,389,416,419,461,470,473,474,504,508,513,549,670,671,727,741,748,772,781,788,830,855,862,883,948,968,982,985 +0414_00212 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0414_00213 7,20,100,115,143,144,153,186,235,244,256,347,411,413,442,505,508,544,612,628,649,663,670,680,727,737,745,748,763,795,820,825,842,915,948,954,992,994,1021,1022 +0414_00214 20,31,55,68,96,101,129,134,144,153,181,182,211,220,223,259,260,266,287,300,334,336,347,367,381,408,426,482,487,500,508,516,517,549,550,600,606,651,696,705,710,718,719,725,727,748,767,769,800,850,945,948,955,968,993 +0414_00215 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0414_00216 13,20,26,42,60,62,95,96,134,145,153,182,207,220,257,261,270,300,308,332,338,347,367,406,407,411,413,421,432,480,487,508,522,549,550,588,607,670,702,727,781,802,827,832,863,896,898,901,948,968 +0414_00217 45,96,101,108,134,153,183,207,230,256,347,393,405,411,429,442,449,484,487,494,505,550,564,580,613,658,682,683,686,725,743,750,763,773,791,795,808,820,910,948,954,968,994,1012,1015 +0414_00218 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0414_00219 15,19,47,56,96,109,134,144,145,177,180,186,207,208,219,233,245,246,259,266,267,289,316,326,332,338,421,432,461,471,487,508,524,531,550,572,592,612,655,731,773,802,899,943,948,968,977,1023 +0414_00220 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00221 57,62,153,183,271,345,347,430,492,508,525,763,778,789,815,826,948,954,973,994 +0414_00222 116,134,138,153,180,199,242,256,260,347,364,385,411,417,429,442,449,453,505,508,550,564,636,637,657,687,763,771,792,808,812,820,942,948,954,968,989,994 +0414_00223 13,31,41,75,126,134,199,220,256,260,347,367,388,404,449,465,487,515,518,549,550,564,684,812,815,820,878,892,893,898,915,941,948,954,968,1015 +0414_00224 8,96,131,133,134,145,146,153,154,172,207,230,236,256,326,347,360,363,389,393,414,421,442,461,462,487,492,502,508,516,550,571,621,726,777,795,802,817,819,820,855,867,915,948,954,968,999 +0414_00225 62,96,134,153,230,247,256,271,296,347,366,405,449,450,460,487,496,505,515,542,549,564,613,686,696,704,750,776,783,792,800,820,841,850,893,898,948,952,954,968,994 +0414_00226 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0414_00227 16,33,134,153,220,224,230,247,256,260,311,347,375,405,407,449,450,460,487,515,549,564,613,616,625,626,670,686,726,740,795,820,852,893,898,910,922,948,954,968,970,988,994 +0414_00228 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 +0414_00229 153,175,256,269,347,411,429,505,544,564,694,763,820,847,856,948,954,994 +0414_00230 20,62,112,135,153,197,201,211,227,336,349,363,433,508,545,622,670,707,727,748,778,816,826,843,844,852,915,941,948,994,1024 +0414_00231 15,20,43,89,153,155,210,221,237,265,343,348,349,439,452,473,474,508,539,670,684,727,738,763,772,788,838,852,883,904,915,948,994,1024 +0414_00232 59,96,134,138,145,153,180,185,207,242,256,260,310,339,347,374,385,411,417,421,449,453,468,480,487,505,508,550,592,616,636,637,657,763,769,771,792,812,820,901,942,948,954,968,987,989,994 +0414_00233 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0414_00234 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0414_00235 1,12,15,20,26,42,87,134,144,150,153,198,207,237,326,343,347,348,381,408,413,455,461,462,476,481,487,497,498,499,505,508,520,530,531,539,544,550,560,562,563,640,663,670,705,719,727,751,753,759,768,770,781,785,802,806,812,824,825,839,844,861,863,873,915,943,946,948,963,968,973,994,1012,1019 +0414_00236 2,15,16,17,20,23,24,25,26,30,36,44,51,54,86,89,108,110,134,139,140,144,146,153,163,174,176,177,188,198,200,207,211,220,223,230,236,238,242,245,254,260,263,268,274,275,280,295,309,313,318,325,345,347,359,382,389,425,426,437,452,459,461,467,473,474,480,485,492,494,508,516,534,536,549,551,552,557,562,569,572,574,601,606,609,626,630,641,655,667,673,704,707,713,726,727,762,767,771,782,785,786,791,795,798,802,805,809,810,812,819,829,834,847,853,855,856,858,884,885,889,905,906,917,921,925,928,936,938,945,948,954,960,962,964,968,973,974,994,997 +0414_00237 99,134,147,174,199,220,256,260,347,370,449,478,487,549,550,556,564,577,636,684,687,812,820,871,893,898,915,927,948,954,968 +0414_00238 15,20,26,45,54,55,58,62,79,89,115,134,153,187,202,220,248,262,270,272,282,283,336,348,353,371,410,421,454,456,478,515,581,601,626,640,664,680,704,715,746,762,767,772,778,782,786,826,858,941,948,968,977,988,994,1022 +0414_00239 1,38,45,46,51,80,83,96,109,134,145,153,161,207,230,256,260,267,292,302,311,338,341,347,356,392,405,417,421,487,511,550,575,580,585,587,605,670,686,727,728,760,800,802,812,871,883,946,948,968,979,990 +0414_00240 153,256,304,343,347,382,411,442,505,649,659,679,763,789,795,820,842,915,948,954,994,1022 +0414_00241 1,6,15,44,45,73,82,84,89,95,96,129,134,142,145,150,156,180,221,234,245,246,249,263,272,281,309,326,335,343,395,421,427,434,456,458,461,486,487,498,501,508,540,544,550,578,585,592,626,632,638,640,644,654,656,665,680,681,714,748,816,846,861,908,936,943,964,968,974,987,989,990,1001,1024 +0414_00242 1,19,34,96,98,114,134,144,153,155,178,183,209,214,270,274,281,295,347,360,365,366,388,405,430,486,487,493,494,504,550,580,612,616,661,718,725,742,771,780,781,786,791,800,831,842,863,908,914,948,960,968,974,977,1012 +0414_00243 20,38,96,109,134,144,145,161,206,207,256,260,268,278,286,326,347,421,461,483,487,502,511,515,516,530,550,575,589,605,657,671,714,722,779,802,820,824,866,867,871,877,883,948,968,977,983,1004,1019 +0414_00244 14,15,20,26,34,57,73,91,134,144,153,220,222,237,240,245,284,316,347,367,426,443,451,461,508,515,520,634,640,652,656,659,674,681,683,685,686,687,718,720,727,767,777,781,784,814,815,841,866,924,939,948,963,968,977,993,994 +0414_00245 15,26,45,54,55,59,62,79,89,134,151,153,202,209,220,267,270,272,282,283,338,350,353,365,382,410,412,441,456,461,495,499,507,515,561,573,601,626,640,664,668,704,715,746,767,772,778,784,786,797,826,834,844,941,948,963,968,977,993,994,1000,1022 +0414_00246 20,31,45,62,68,96,134,151,153,159,165,207,211,231,242,254,292,347,436,487,508,544,550,567,589,652,727,778,807,826,855,866,889,948,968,977,994,1006,1008,1017 diff --git a/processed_data/0414/0414_fingerprints_maccs_canonical_success.tsv b/processed_data/0414/0414_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..aeb748969 --- /dev/null +++ b/processed_data/0414/0414_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,247 @@ +id bits.on +0414_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0414_00002 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0414_00003 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0414_00004 22,25,53,65,77,80,84,98,104,106,111,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0414_00005 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0414_00006 62,84,125,131,133,135,142,145,151,156,158,161,162,163,165 +0414_00007 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0414_00008 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0414_00009 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0414_00010 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00011 29,47,67,69,81,84,88,93,94,102,106,112,117,124,126,130,148,149,151,156,157,159,160,161,164 +0414_00012 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00013 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00014 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0414_00015 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0414_00016 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0414_00017 23,74,85,86,93,106,110,113,117,122,123,126,127,133,135,141,142,143,144,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00018 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00019 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00020 14,36,58,67,74,85,86,88,93,98,111,116,120,122,124,130,133,137,138,148,149,153,156,158,160,161,163,165 +0414_00021 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0414_00022 52,57,63,70,71,75,86,94,95,97,98,100,102,109,111,117,118,119,120,121,122,124,129,130,132,133,137,138,142,147,148,153,156,157,158,159,161,163,164,165 +0414_00023 29,48,67,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,136,140,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00024 23,74,80,82,85,86,90,91,93,100,104,106,108,109,110,111,114,115,116,117,118,122,123,126,128,132,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00025 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0414_00026 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00027 52,63,70,71,75,83,86,94,96,100,102,111,117,118,119,121,122,124,130,133,137,138,142,147,148,153,156,158,161,164,165 +0414_00028 23,24,51,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00029 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0414_00030 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0414_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00032 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0414_00033 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00034 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00035 84,104,111,115,151,155,156,158,160,161,162,163,165 +0414_00036 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0414_00037 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00038 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0414_00039 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00040 25,38,62,65,75,77,79,80,82,85,86,89,91,97,98,100,104,105,106,111,113,114,118,120,121,122,123,125,127,129,131,133,135,136,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00041 23,24,51,55,58,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00042 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0414_00043 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0414_00044 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0414_00045 38,57,62,65,77,79,83,95,96,105,120,121,137,142,151,152,156,161,162,163,164,165 +0414_00046 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0414_00047 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0414_00048 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00049 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00050 23,32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,89,93,94,102,106,110,112,117,123,124,126,130,131,133,135,136,140,142,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00051 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00052 29,48,76,89,92,93,97,99,102,106,110,112,117,124,126,130,136,140,141,146,148,149,151,152,154,156,157,158,159,160,161,164 +0414_00053 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0414_00054 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0414_00055 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,109,111,112,113,114,115,116,120,121,122,126,127,128,129,137,138,139,143,144,145,146,147,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00056 82,100,104,108,111,114,115,116,129,149,151,153,155,156,158,160,161,162,163,165 +0414_00057 84,133,135,144,149,150,151,156,158,160,161,162,163,165 +0414_00058 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00059 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00060 8,11,24,36,45,47,50,65,71,76,77,78,79,80,81,83,84,85,88,89,91,92,93,94,95,96,97,98,99,101,102,105,106,109,110,116,117,119,120,121,122,123,124,126,127,131,133,135,136,137,138,139,140,142,143,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00061 19,75,82,83,85,89,93,96,97,98,105,108,109,111,116,121,122,123,126,127,128,129,132,137,139,143,145,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00062 13,23,24,49,52,65,69,71,75,78,79,80,93,94,95,97,98,102,105,106,110,113,117,119,120,121,122,123,124,125,126,127,130,137,140,142,143,144,145,146,148,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00063 29,48,74,76,85,86,89,92,93,97,99,102,106,110,112,117,122,124,126,130,136,140,141,146,148,149,152,154,156,157,158,159,160,161,164 +0414_00064 52,63,70,71,75,86,94,98,100,102,111,117,118,119,121,122,124,129,130,133,137,138,142,147,148,153,156,158,161,163,164,165 +0414_00065 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00066 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00067 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0414_00068 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00069 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0414_00070 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0414_00071 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00072 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0414_00073 54,57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,111,112,115,116,120,122,123,126,127,128,131,132,133,136,137,139,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00074 37,74,77,85,86,93,106,110,117,122,133,135,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00075 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00076 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00077 38,62,65,66,74,77,78,79,83,86,92,93,95,96,97,98,109,110,112,115,117,119,120,121,123,126,127,131,136,137,139,140,141,142,143,144,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00078 50,53,57,62,66,76,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0414_00079 23,25,43,51,59,60,61,64,65,67,73,77,79,81,83,88,93,96,97,102,105,106,110,117,120,121,123,124,125,126,131,133,135,136,137,142,145,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00080 25,47,53,59,64,65,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,138,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00081 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00082 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00083 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00084 25,37,53,65,74,77,80,93,97,98,106,110,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0414_00085 29,48,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00086 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0414_00087 29,48,76,89,93,99,102,106,112,123,124,126,130,136,140,141,146,148,149,152,154,157,159,160,164 +0414_00088 38,62,66,74,77,78,79,83,92,93,95,96,97,110,112,117,119,120,121,123,126,127,136,137,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00089 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00090 75,79,83,85,90,91,92,95,96,100,104,108,109,110,111,114,117,118,121,122,123,126,128,131,136,137,138,139,140,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00091 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0414_00092 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0414_00093 92,109,110,113,114,117,126,127,133,135,143,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00094 24,49,52,56,57,63,69,70,71,72,78,83,92,94,95,96,97,102,110,113,117,119,122,124,127,130,131,133,135,136,137,139,140,142,143,146,148,151,152,154,156,157,158,159,161,162,163,164,165 +0414_00095 23,24,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00096 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00097 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00098 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0414_00099 36,37,47,52,65,66,74,77,79,80,81,83,85,88,93,94,96,97,106,110,112,117,120,121,122,124,133,135,137,141,142,148,149,151,154,156,158,160,161,162,164,165 +0414_00100 84,92,104,105,110,111,117,125,132,145,151,154,155,156,158,161,162,163,164,165 +0414_00101 25,37,62,65,74,75,77,80,85,86,89,93,97,98,106,110,111,113,117,118,120,121,122,127,129,133,135,136,137,141,142,143,144,145,147,148,149,150,154,156,158,159,160,161,162,163,164,165 +0414_00102 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00103 83,85,92,96,98,100,105,110,111,117,118,121,122,127,128,129,132,135,137,143,144,145,147,148,153,154,156,158,161,162,163,164,165 +0414_00104 23,24,66,71,74,78,79,81,88,93,94,95,102,106,110,112,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00105 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00106 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0414_00107 23,25,43,59,64,65,77,79,81,83,88,93,96,97,105,106,110,114,115,117,120,121,123,126,131,133,135,137,142,147,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00108 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,125,126,131,133,135,136,137,142,145,146,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00109 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0414_00110 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00111 23,52,57,72,75,83,86,92,93,94,95,96,97,100,106,109,110,111,115,117,120,121,122,123,124,126,127,128,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00112 23,93,106,110,113,117,123,126,127,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00113 38,62,65,66,74,77,78,79,83,92,95,96,97,98,105,110,112,117,119,120,121,123,125,127,131,136,137,139,141,142,143,144,145,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00114 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00115 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0414_00116 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00117 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0414_00118 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0414_00119 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0414_00120 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00121 24,32,33,38,49,51,54,55,56,58,60,61,62,63,65,67,69,70,71,73,77,79,80,88,92,93,94,95,97,98,102,105,106,110,112,113,117,119,120,121,122,124,125,127,130,131,133,135,136,137,140,142,143,144,145,146,148,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00122 23,37,66,74,77,85,86,93,97,106,110,112,113,117,122,123,126,127,131,133,135,136,141,142,143,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00123 25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 +0414_00124 92,105,110,117,123,125,131,133,135,136,139,144,145,146,150,151,154,156,157,158,159,161,162,163,164,165 +0414_00125 23,24,33,47,58,67,71,77,78,79,81,88,93,94,95,97,102,106,110,117,119,122,123,124,126,130,136,140,141,142,146,148,149,154,156,157,158,159,160,161,164 +0414_00126 29,48,67,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0414_00127 50,66,74,76,98,99,105,109,112,113,114,121,126,127,135,137,141,143,144,145,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0414_00128 23,72,74,93,106,110,113,117,123,126,127,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00129 52,62,65,74,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0414_00130 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,86,88,89,93,94,97,98,102,106,109,110,112,113,115,116,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00131 24,49,51,55,56,58,59,60,61,63,64,67,70,71,73,81,88,89,93,94,97,102,112,118,119,122,124,127,130,132,133,135,136,140,143,144,145,146,147,148,150,152,154,156,158,159,160,161,162,163,164,165 +0414_00132 57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,112,115,120,122,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00133 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00134 36,37,47,65,77,80,81,83,85,88,93,96,97,105,106,110,117,120,121,122,133,135,137,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00135 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00136 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,117,120,121,123,124,125,126,130,131,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00137 57,66,74,75,85,86,95,98,100,108,112,115,120,121,122,128,132,137,138,141,145,148,149,152,153,155,157,158,160,161,162,163,164,165 +0414_00138 66,74,75,85,86,98,100,108,111,112,115,118,121,122,128,129,137,138,141,145,147,148,149,153,155,158,160,161,162,163,165 +0414_00139 57,66,72,74,83,85,86,95,96,97,100,105,108,109,111,112,114,115,116,118,120,122,123,128,129,132,137,138,141,147,148,149,152,153,155,157,158,159,160,161,163,164,165 +0414_00140 22,25,47,53,59,64,65,66,74,77,80,81,88,93,98,104,106,111,112,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00141 23,25,43,59,64,65,77,79,81,83,88,93,96,97,105,106,110,117,120,121,123,125,126,131,133,135,137,142,145,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00142 74,85,86,93,122,125,133,135,141,142,145,148,149,156,158,160,161,162,163,165 +0414_00143 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00144 29,36,47,67,75,81,83,88,89,94,96,100,102,106,109,110,111,112,114,115,117,120,121,122,124,126,127,128,130,136,137,138,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,164,165 +0414_00145 85,86,92,100,110,114,116,117,122,138,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0414_00146 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00147 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00148 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00149 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,141,142,148,149,151,156,158,159,160,161,162,163,164,165 +0414_00150 23,86,88,93,106,110,113,114,116,117,123,126,127,138,143,144,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00151 66,74,112,113,125,127,131,139,143,145,149,152,157,159,160,162,163,164,165 +0414_00152 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00153 36,57,76,81,88,89,91,92,97,98,99,108,109,110,116,117,120,132,133,135,137,138,145,147,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0414_00154 37,74,77,85,86,93,106,110,113,117,122,125,126,127,133,135,141,142,143,145,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00155 66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0414_00156 29,48,51,59,60,61,64,67,73,81,88,93,102,106,109,112,113,114,124,126,127,128,130,138,140,141,143,146,148,149,152,153,155,157,159,160,162,163,164,165 +0414_00157 23,74,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00158 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0414_00159 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0414_00160 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0414_00161 53,66,74,89,112,113,123,127,131,139,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0414_00162 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00163 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00164 24,49,56,63,70,71,80,89,94,95,102,113,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0414_00165 22,50,76,89,90,91,99,109,114,123,126,127,128,132,136,139,140,143,146,150,152,153,154,155,157,159,160,163,164,165 +0414_00166 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0414_00167 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0414_00168 26,50,66,76,91,96,99,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0414_00169 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00170 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0414_00171 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0414_00172 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00173 29,47,67,69,73,74,81,84,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0414_00174 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0414_00175 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00176 23,93,106,110,113,114,115,117,123,126,127,141,143,144,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00177 23,74,93,106,110,113,117,123,126,127,141,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00178 29,32,33,48,51,55,58,59,60,61,64,67,73,74,81,86,88,93,94,102,106,112,113,117,122,124,126,127,130,136,140,141,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00179 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00180 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0414_00181 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00182 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00183 26,50,57,76,89,91,98,99,104,105,108,114,115,116,118,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0414_00184 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0414_00185 52,63,70,71,86,94,100,102,111,114,116,117,119,122,124,130,138,142,148,149,153,155,156,158,160,161,164 +0414_00186 52,63,70,71,86,94,100,102,111,114,115,116,117,118,119,122,124,128,129,130,138,142,147,148,149,153,155,156,158,160,161,164 +0414_00187 36,47,65,72,81,83,85,88,92,93,95,96,105,106,109,110,111,113,116,117,120,121,122,125,126,127,132,133,135,137,142,143,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00188 19,47,75,81,85,86,88,100,106,110,111,114,117,118,121,122,128,129,137,138,147,148,153,154,155,156,158,160,161,164,165 +0414_00189 28,29,43,48,54,57,62,69,72,83,89,91,93,96,98,102,105,106,109,112,113,116,120,123,124,125,126,127,130,131,132,136,137,138,139,140,141,143,144,145,146,148,149,150,152,153,154,157,159,160,162,163,164,165 +0414_00190 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00191 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00192 62,113,125,127,139,143,144,145,150,152,157,162,163,164,165 +0414_00193 72,85,86,92,95,100,105,108,110,113,114,116,117,122,125,126,127,138,141,143,145,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00194 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00195 57,65,66,71,79,80,83,89,92,93,94,96,97,102,110,112,113,114,115,116,117,120,121,124,126,127,133,135,137,140,141,142,143,144,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00196 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00197 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0414_00198 52,66,69,74,92,93,94,95,110,112,113,117,122,124,125,126,127,136,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00199 52,62,65,66,72,74,75,77,79,80,83,92,94,95,96,97,110,112,113,117,120,121,122,124,125,126,127,137,139,141,142,143,145,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00200 23,52,62,68,69,74,93,94,95,97,106,110,113,117,123,124,125,126,127,131,133,135,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00201 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00202 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0414_00203 24,32,33,49,51,55,56,58,59,60,61,63,64,67,69,70,71,73,79,80,81,84,85,86,88,94,97,100,102,106,108,111,112,114,115,117,118,119,122,124,128,129,130,133,135,136,138,140,142,144,146,147,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0414_00204 29,37,48,52,62,65,67,73,75,77,79,80,81,83,88,94,95,96,97,102,106,109,110,112,113,114,117,120,121,122,124,126,127,128,130,133,135,137,138,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00205 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0414_00206 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0414_00207 125,133,135,145,151,156,158,161,162,163,165 +0414_00208 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,141,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0414_00209 28,29,47,52,65,67,70,73,75,77,80,81,88,92,94,95,97,98,100,102,105,106,109,110,111,112,113,114,117,120,121,122,124,125,126,127,128,130,137,138,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00210 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0414_00211 13,24,57,71,72,83,89,92,93,94,96,97,102,108,110,111,117,118,122,124,126,129,133,137,141,144,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00212 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00213 23,29,67,73,81,85,88,89,92,93,102,106,108,109,110,111,112,114,116,117,122,123,124,126,128,130,132,136,138,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0414_00214 24,71,78,89,93,94,95,102,108,109,113,119,123,124,125,126,127,140,141,143,144,145,146,149,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0414_00215 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0414_00216 85,92,93,95,108,110,111,117,122,123,125,126,132,133,135,136,141,144,145,146,148,149,150,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00217 29,48,65,67,73,79,81,88,92,95,97,98,102,105,106,109,110,112,113,114,117,120,121,124,125,126,127,128,130,137,138,142,143,145,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00218 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00219 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0414_00220 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00221 29,48,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0414_00222 24,29,48,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00223 29,48,59,64,67,73,81,88,93,102,106,112,113,124,126,127,130,141,143,144,146,148,149,150,152,157,159,160,162,163,164,165 +0414_00224 29,32,33,51,55,58,59,60,61,64,67,69,73,74,81,82,88,94,100,102,104,106,111,112,117,124,126,130,136,138,140,141,146,147,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00225 29,38,48,65,67,73,77,80,81,88,89,92,93,97,98,102,106,109,110,111,112,113,114,117,120,121,124,126,127,130,137,140,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00226 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00227 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00228 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0414_00229 29,48,67,73,81,88,89,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00230 47,81,85,86,88,100,106,108,110,111,114,115,116,117,118,122,128,129,138,141,147,148,149,153,154,155,156,158,160,161,164 +0414_00231 47,81,85,88,100,106,108,110,111,114,117,118,122,128,129,133,138,147,148,149,153,154,155,156,158,160,161,163,164,165 +0414_00232 24,29,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,125,126,127,130,133,135,140,143,145,146,148,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00233 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0414_00234 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00235 23,33,57,58,66,67,72,74,77,81,83,88,93,94,96,97,100,105,106,108,109,110,111,112,113,114,115,116,117,122,123,124,126,127,128,129,130,132,136,137,138,140,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00236 26,50,53,57,66,72,76,83,89,90,91,92,93,95,96,98,99,105,108,109,110,112,114,115,116,117,120,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00237 29,48,59,64,67,73,81,88,93,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0414_00238 34,50,53,62,76,89,91,99,108,113,114,115,116,118,127,129,131,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0414_00239 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0414_00240 28,29,67,73,81,88,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00241 57,62,89,91,98,105,113,123,125,127,137,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0414_00242 65,66,74,77,80,92,97,98,105,109,110,112,113,117,120,121,125,126,127,132,137,141,142,143,145,147,149,153,155,156,157,160,161,162,163,164,165 +0414_00243 43,47,66,73,74,77,81,88,106,112,113,125,126,127,131,133,135,141,142,143,144,145,149,150,151,152,156,157,158,160,161,162,163,164,165 +0414_00244 50,57,62,66,72,74,76,83,89,96,99,105,112,115,118,123,126,127,132,136,137,140,141,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0414_00245 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,127,129,137,139,141,143,144,145,147,149,152,155,157,159,160,162,163,164,165 +0414_00246 108,109,114,115,116,118,123,126,128,129,136,138,140,141,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0414/0414_fingerprints_maccs_isomeric_success.tsv b/processed_data/0414/0414_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..eecf30bc4 --- /dev/null +++ b/processed_data/0414/0414_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,247 @@ +id bits.on +0414_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0414_00002 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0414_00003 62,65,75,80,83,85,86,93,96,98,100,108,111,115,116,118,120,121,122,137,142,147,148,150,153,156,158,160,161,162,163,165 +0414_00004 22,25,53,65,77,80,84,98,104,106,111,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0414_00005 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0414_00006 62,84,125,131,133,135,142,145,151,156,158,161,162,163,165 +0414_00007 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0414_00008 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0414_00009 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0414_00010 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00011 29,47,67,69,81,84,88,93,94,102,106,112,117,124,126,130,148,149,151,156,157,159,160,161,164 +0414_00012 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00013 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00014 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0414_00015 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0414_00016 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0414_00017 23,74,85,86,93,106,110,113,117,122,123,126,127,133,135,141,142,143,144,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00018 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00019 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00020 14,36,58,67,74,85,86,88,93,98,111,116,120,122,124,130,133,137,138,148,149,153,156,158,160,161,163,165 +0414_00021 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0414_00022 52,57,63,70,71,75,86,94,95,97,98,100,102,109,111,117,118,119,120,121,122,124,129,130,132,133,137,138,142,147,148,153,156,157,158,159,161,163,164,165 +0414_00023 29,48,67,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,136,140,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00024 23,74,80,82,85,86,90,91,93,100,104,106,108,109,110,111,114,115,116,117,118,122,123,126,128,132,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00025 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0414_00026 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00027 52,63,70,71,75,83,86,94,96,100,102,111,117,118,119,121,122,124,130,133,137,138,142,147,148,153,156,158,161,164,165 +0414_00028 23,24,51,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00029 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0414_00030 54,93,95,131,139,149,151,152,156,157,158,160,161,162,163,164,165 +0414_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00032 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0414_00033 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00034 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00035 84,104,111,115,151,155,156,158,160,161,162,163,165 +0414_00036 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0414_00037 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00038 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0414_00039 28,57,72,83,84,96,104,105,109,111,113,115,120,123,137,144,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00040 25,38,62,65,75,77,79,80,82,85,86,89,91,97,98,100,104,105,106,111,113,114,118,120,121,122,123,125,127,129,131,133,135,136,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00041 23,24,51,55,58,60,61,66,67,71,73,74,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0414_00042 93,104,111,115,116,149,151,155,156,158,160,161,162,163,165 +0414_00043 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0414_00044 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0414_00045 38,57,62,65,77,79,83,95,96,105,120,121,137,142,151,152,156,161,162,163,164,165 +0414_00046 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0414_00047 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0414_00048 28,57,72,83,93,96,104,105,109,111,113,115,116,120,123,137,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00049 23,24,47,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00050 23,32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,89,93,94,102,106,110,112,117,123,124,126,130,131,133,135,136,140,142,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00051 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00052 29,48,76,89,92,93,97,99,102,106,110,112,117,124,126,130,136,140,141,146,148,149,151,152,154,156,157,158,159,160,161,164 +0414_00053 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0414_00054 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0414_00055 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,109,111,112,113,114,115,116,120,121,122,126,127,128,129,137,138,139,143,144,145,146,147,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00056 82,100,104,108,111,114,115,116,129,149,151,153,155,156,158,160,161,162,163,165 +0414_00057 84,133,135,144,149,150,151,156,158,160,161,162,163,165 +0414_00058 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00059 28,57,72,82,83,96,100,104,105,108,109,111,113,114,115,116,120,123,129,137,138,144,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00060 8,11,24,36,45,47,50,65,71,76,77,78,79,80,81,83,84,85,88,89,91,92,93,94,95,96,97,98,99,101,102,105,106,109,110,116,117,119,120,121,122,123,124,126,127,131,133,135,136,137,138,139,140,142,143,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00061 19,75,82,83,85,89,93,96,97,98,105,108,109,111,116,121,122,123,126,127,128,129,132,137,139,143,145,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00062 13,23,24,49,52,65,69,71,75,78,79,80,93,94,95,97,98,102,105,106,110,113,117,119,120,121,122,123,124,125,126,127,130,137,140,142,143,144,145,146,148,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00063 29,48,74,76,85,86,89,92,93,97,99,102,106,110,112,117,122,124,126,130,136,140,141,146,148,149,152,154,156,157,158,159,160,161,164 +0414_00064 52,63,70,71,75,86,94,98,100,102,111,117,118,119,121,122,124,129,130,133,137,138,142,147,148,153,156,158,161,163,164,165 +0414_00065 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00066 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00067 23,25,65,74,77,80,85,86,92,93,97,98,106,110,113,117,120,121,122,123,126,127,133,135,137,141,142,143,144,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0414_00068 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00069 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0414_00070 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0414_00071 19,75,83,85,89,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,140,143,145,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00072 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0414_00073 54,57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,111,112,115,116,120,122,123,126,127,128,131,132,133,136,137,139,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00074 37,74,77,85,86,93,106,110,117,122,133,135,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00075 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00076 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00077 38,62,65,66,74,77,78,79,83,86,92,93,95,96,97,98,109,110,112,115,117,119,120,121,123,126,127,131,136,137,139,140,141,142,143,144,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00078 50,53,57,62,66,76,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0414_00079 23,25,43,51,59,60,61,64,65,67,73,77,79,81,83,88,93,96,97,102,105,106,110,117,120,121,123,124,125,126,131,133,135,136,137,142,145,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00080 25,47,53,59,64,65,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,138,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00081 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00082 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00083 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0414_00084 25,37,53,65,74,77,80,93,97,98,106,110,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0414_00085 29,48,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00086 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0414_00087 29,48,76,89,93,99,102,106,112,123,124,126,130,136,140,141,146,148,149,152,154,157,159,160,164 +0414_00088 38,62,66,74,77,78,79,83,92,93,95,96,97,110,112,117,119,120,121,123,126,127,136,137,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00089 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00090 75,79,83,85,90,91,92,95,96,100,104,108,109,110,111,114,117,118,121,122,123,126,128,131,136,137,138,139,140,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00091 25,37,53,65,66,74,77,80,82,93,97,98,100,106,110,112,113,114,117,120,121,126,127,131,133,135,137,141,142,143,149,151,153,155,156,157,158,160,161,162,163,164,165 +0414_00092 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0414_00093 92,109,110,113,114,117,126,127,133,135,143,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00094 24,49,52,56,57,63,69,70,71,72,78,83,92,94,95,96,97,102,110,113,117,119,122,124,127,130,131,133,135,136,137,139,140,142,143,146,148,151,152,154,156,157,158,159,161,162,163,164,165 +0414_00095 23,24,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00096 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00097 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00098 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0414_00099 36,37,47,52,65,66,74,77,79,80,81,83,85,88,93,94,96,97,106,110,112,117,120,121,122,124,133,135,137,141,142,148,149,151,154,156,158,160,161,162,164,165 +0414_00100 84,92,104,105,110,111,117,125,132,145,151,154,155,156,158,161,162,163,164,165 +0414_00101 25,37,62,65,74,75,77,80,85,86,89,93,97,98,106,110,111,113,117,118,120,121,122,127,129,133,135,136,137,141,142,143,144,145,147,148,149,150,154,156,158,159,160,161,162,163,164,165 +0414_00102 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00103 83,85,92,96,98,100,105,110,111,117,118,121,122,127,128,129,132,135,137,143,144,145,147,148,153,154,156,158,161,162,163,164,165 +0414_00104 23,24,66,71,74,78,79,81,88,93,94,95,102,106,110,112,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0414_00105 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00106 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0414_00107 23,25,43,59,64,65,77,79,81,83,88,93,96,97,105,106,110,114,115,117,120,121,123,126,131,133,135,137,142,147,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00108 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,125,126,131,133,135,136,137,142,145,146,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00109 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0414_00110 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00111 23,52,57,72,75,83,86,92,93,94,95,96,97,100,106,109,110,111,115,117,120,121,122,123,124,126,127,128,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00112 23,93,106,110,113,117,123,126,127,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00113 38,62,65,66,74,77,78,79,83,92,95,96,97,98,105,110,112,117,119,120,121,123,125,127,131,136,137,139,141,142,143,144,145,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00114 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00115 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0414_00116 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00117 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0414_00118 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0414_00119 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0414_00120 38,65,75,77,85,89,97,98,100,105,113,114,120,121,122,123,125,127,136,137,139,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00121 24,49,56,63,70,71,80,89,94,95,102,113,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,150,152,156,157,158,159,161,162,163,164,165 +0414_00122 23,37,66,74,77,85,86,93,97,106,110,112,113,117,122,123,126,127,131,133,135,136,141,142,143,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00123 25,65,77,80,98,106,120,121,125,133,135,137,142,145,149,151,156,158,160,161,162,163,165 +0414_00124 92,105,110,117,123,125,131,133,135,136,139,144,145,146,150,151,154,156,157,158,159,161,162,163,164,165 +0414_00125 23,24,33,47,58,67,71,77,78,79,81,88,93,94,95,97,102,106,110,117,119,122,123,124,126,130,136,140,141,142,146,148,149,154,156,157,158,159,160,161,164 +0414_00126 29,48,67,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0414_00127 50,66,74,76,98,99,105,109,112,113,114,121,126,127,135,137,141,143,144,145,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0414_00128 23,72,74,93,106,110,113,117,123,126,127,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00129 52,62,65,74,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0414_00130 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,86,88,89,93,94,97,98,102,106,109,110,112,113,115,116,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00131 24,49,51,55,56,58,59,60,61,63,64,67,70,71,73,81,88,89,93,94,97,102,112,118,119,122,124,127,130,132,133,135,136,140,143,144,145,146,147,148,150,152,154,156,158,159,160,161,162,163,164,165 +0414_00132 57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,112,115,120,122,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00133 25,47,53,59,64,65,74,77,80,81,88,93,98,106,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00134 36,37,47,65,77,80,81,83,85,88,93,96,97,105,106,110,117,120,121,122,133,135,137,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00135 23,57,66,72,74,83,93,96,105,106,110,112,113,115,117,123,126,127,132,137,141,143,144,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00136 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,117,120,121,123,124,125,126,130,131,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00137 57,66,74,75,85,86,95,98,100,108,112,115,120,121,122,128,132,137,138,141,145,148,149,152,153,155,157,158,160,161,162,163,164,165 +0414_00138 66,74,75,85,86,98,100,108,111,112,115,118,121,122,128,129,137,138,141,145,147,148,149,153,155,158,160,161,162,163,165 +0414_00139 57,66,72,74,83,85,86,95,96,97,100,105,108,109,111,112,114,115,116,118,120,122,123,128,129,132,137,138,141,147,148,149,152,153,155,157,158,159,160,161,163,164,165 +0414_00140 22,25,47,53,59,64,65,66,74,77,80,81,88,93,98,104,106,111,112,120,121,131,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0414_00141 23,25,43,59,64,65,77,79,81,83,88,93,96,97,105,106,110,117,120,121,123,125,126,131,133,135,137,142,145,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00142 74,85,86,93,122,125,133,135,141,142,145,148,149,156,158,160,161,162,163,165 +0414_00143 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0414_00144 29,36,47,67,75,81,83,88,89,94,96,100,102,106,109,110,111,112,114,115,117,120,121,122,124,126,127,128,130,136,137,138,141,143,146,147,148,149,150,153,154,155,156,157,158,159,160,161,164,165 +0414_00145 85,86,92,100,110,114,116,117,122,138,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0414_00146 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00147 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0414_00148 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00149 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,141,142,148,149,151,156,158,159,160,161,162,163,164,165 +0414_00150 23,86,88,93,106,110,113,114,116,117,123,126,127,138,143,144,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00151 66,74,112,113,125,127,131,139,143,145,149,152,157,159,160,162,163,164,165 +0414_00152 25,47,53,59,64,65,74,77,80,81,82,88,93,98,100,106,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00153 36,57,76,81,88,89,91,92,97,98,99,108,109,110,116,117,120,132,133,135,137,138,145,147,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0414_00154 37,74,77,85,86,93,106,110,113,117,122,125,126,127,133,135,141,142,143,145,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00155 66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0414_00156 29,48,51,59,60,61,64,67,73,81,88,93,102,106,109,112,113,114,124,126,127,128,130,138,140,141,143,146,148,149,152,153,155,157,159,160,162,163,164,165 +0414_00157 23,74,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00158 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0414_00159 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0414_00160 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0414_00161 53,66,74,89,112,113,123,127,131,139,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0414_00162 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00163 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00164 24,49,56,63,70,71,80,89,94,95,102,113,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,150,152,156,157,158,159,160,161,162,163,164,165 +0414_00165 22,50,76,89,90,91,99,109,114,123,126,127,128,132,136,139,140,143,146,150,152,153,154,155,157,159,160,163,164,165 +0414_00166 22,25,62,65,77,80,98,106,120,121,125,133,135,137,142,145,151,156,158,160,161,162,163,165 +0414_00167 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0414_00168 26,50,66,76,91,96,99,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0414_00169 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00170 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0414_00171 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0414_00172 26,50,57,72,74,76,85,86,89,93,95,96,98,99,105,108,111,114,116,118,120,122,123,126,127,128,129,132,133,136,137,140,141,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0414_00173 29,47,67,69,73,74,81,84,88,89,93,94,102,106,112,113,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,154,156,157,159,160,161,162,163,164,165 +0414_00174 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0414_00175 23,59,64,81,88,93,106,110,113,117,123,126,127,141,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00176 23,93,106,110,113,114,115,117,123,126,127,141,143,144,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00177 23,74,93,106,110,113,117,123,126,127,141,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00178 29,32,33,48,51,55,58,59,60,61,64,67,73,74,81,86,88,93,94,102,106,112,113,117,122,124,126,127,130,136,140,141,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00179 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00180 28,29,36,47,52,65,67,73,75,80,81,83,88,89,93,94,95,96,97,100,102,106,108,110,111,112,113,117,120,121,122,124,126,127,130,137,140,141,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0414_00181 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00182 28,29,47,52,65,67,70,73,75,77,80,81,88,92,93,94,95,97,98,100,102,105,106,108,110,111,112,113,117,120,121,122,124,125,126,127,130,137,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00183 26,50,57,76,89,91,98,99,104,105,108,114,115,116,118,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0414_00184 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0414_00185 52,63,70,71,86,94,100,102,111,114,116,117,119,122,124,130,138,142,148,149,153,155,156,158,160,161,164 +0414_00186 52,63,70,71,86,94,100,102,111,114,115,116,117,118,119,122,124,128,129,130,138,142,147,148,149,153,155,156,158,160,161,164 +0414_00187 36,47,65,72,81,83,85,88,92,93,95,96,105,106,109,110,111,113,116,117,120,121,122,125,126,127,132,133,135,137,142,143,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00188 19,47,75,81,85,86,88,100,106,110,111,114,117,118,121,122,128,129,137,138,147,148,153,154,155,156,158,160,161,164,165 +0414_00189 28,29,43,48,54,57,62,69,72,83,89,91,93,96,98,102,105,106,109,112,113,116,120,123,124,125,126,127,130,131,132,136,137,138,139,140,141,143,144,145,146,148,149,150,152,153,154,157,159,160,162,163,164,165 +0414_00190 29,48,52,62,65,67,73,75,81,88,92,94,95,97,98,102,106,109,110,112,113,114,117,120,121,122,124,125,126,127,128,130,133,135,137,138,140,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00191 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00192 62,113,125,127,139,143,144,145,150,152,157,162,163,164,165 +0414_00193 72,85,86,92,95,100,105,108,110,113,114,116,117,122,125,126,127,138,141,143,145,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00194 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,143,146,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00195 57,65,66,71,79,80,83,89,92,93,94,96,97,102,110,112,113,114,115,116,117,120,121,124,126,127,133,135,137,140,141,142,143,144,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00196 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00197 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0414_00198 52,66,69,74,92,93,94,95,110,112,113,117,122,124,125,126,127,136,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00199 52,62,65,66,72,74,75,77,79,80,83,92,94,95,96,97,110,112,113,117,120,121,122,124,125,126,127,137,139,141,142,143,145,148,149,152,156,157,158,159,160,161,162,163,164,165 +0414_00200 23,52,62,68,69,74,93,94,95,97,106,110,113,117,123,124,125,126,127,131,133,135,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00201 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00202 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0414_00203 24,32,33,49,51,55,56,58,59,60,61,63,64,67,69,70,71,73,79,80,81,84,85,86,88,94,97,100,102,106,108,111,112,114,115,117,118,119,122,124,128,129,130,133,135,136,138,140,142,144,146,147,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0414_00204 29,37,48,52,62,65,67,73,75,77,79,80,81,83,88,94,95,96,97,102,106,109,110,112,113,114,117,120,121,122,124,126,127,128,130,133,135,137,138,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00205 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0414_00206 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0414_00207 125,133,135,145,151,156,158,161,162,163,165 +0414_00208 24,29,48,49,56,63,67,70,71,73,81,88,93,94,102,106,112,113,119,122,124,126,127,130,133,135,140,141,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0414_00209 28,29,47,52,65,67,70,73,75,77,80,81,88,92,94,95,97,98,100,102,105,106,109,110,111,112,113,114,117,120,121,122,124,125,126,127,128,130,137,138,142,143,144,145,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00210 29,59,64,67,81,88,102,106,109,112,114,124,125,126,130,145,148,153,155,157,159,160,162,163,164,165 +0414_00211 13,24,57,71,72,83,89,92,93,94,96,97,102,108,110,111,117,118,122,124,126,129,133,137,141,144,146,147,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0414_00212 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0414_00213 23,29,67,73,81,85,88,89,92,93,102,106,108,109,110,111,112,114,116,117,122,123,124,126,128,130,132,136,138,140,141,146,148,149,153,154,155,156,157,158,159,160,161,164 +0414_00214 24,71,78,89,93,94,95,102,108,109,113,119,123,124,125,126,127,140,141,143,144,145,146,149,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0414_00215 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0414_00216 85,92,93,95,108,110,111,117,122,123,125,126,132,133,135,136,141,144,145,146,148,149,150,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00217 29,48,65,67,73,79,81,88,92,95,97,98,102,105,106,109,110,112,113,114,117,120,121,124,125,126,127,128,130,137,138,142,143,145,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00218 25,47,53,59,64,65,66,74,77,80,81,82,88,93,98,100,106,112,114,120,121,131,133,135,137,141,142,149,151,153,155,156,158,160,161,162,163,165 +0414_00219 28,36,37,47,62,66,74,75,77,78,80,81,85,88,97,98,100,106,110,112,117,119,120,121,122,127,133,135,137,141,142,143,145,148,149,150,153,154,156,158,160,161,162,163,164,165 +0414_00220 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00221 29,48,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0414_00222 24,29,48,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00223 29,48,59,64,67,73,81,88,93,102,106,112,113,124,126,127,130,141,143,144,146,148,149,150,152,157,159,160,162,163,164,165 +0414_00224 29,32,33,51,55,58,59,60,61,64,67,69,73,74,81,82,88,94,100,102,104,106,111,112,117,124,126,130,136,138,140,141,146,147,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00225 29,38,48,65,67,73,77,80,81,88,89,92,93,97,98,102,106,109,110,111,112,113,114,117,120,121,124,126,127,130,137,140,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00226 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0414_00227 25,29,48,65,67,73,77,80,81,85,86,88,92,93,97,98,100,102,106,110,112,113,114,116,117,120,121,122,124,126,127,130,133,135,137,138,141,142,143,146,148,149,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00228 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0414_00229 29,48,67,73,81,88,89,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00230 47,81,85,86,88,100,106,108,110,111,114,115,116,117,118,122,128,129,138,141,147,148,149,153,154,155,156,158,160,161,164 +0414_00231 47,81,85,88,100,106,108,110,111,114,117,118,122,128,129,133,138,147,148,149,153,154,155,156,158,160,161,163,164,165 +0414_00232 24,29,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,125,126,127,130,133,135,140,143,145,146,148,152,153,155,156,157,158,159,160,161,162,163,164,165 +0414_00233 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0414_00234 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0414_00235 23,33,57,58,66,67,72,74,77,81,83,88,93,94,96,97,100,105,106,108,109,110,111,112,113,114,115,116,117,122,123,124,126,127,128,129,130,132,136,137,138,140,141,142,143,144,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0414_00236 26,50,53,57,66,72,76,83,89,90,91,92,93,95,96,98,99,105,108,109,110,112,114,115,116,117,120,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0414_00237 29,48,59,64,67,73,81,88,93,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0414_00238 34,50,53,62,76,89,91,99,108,113,114,115,116,118,127,129,131,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0414_00239 65,72,92,98,109,110,113,115,117,121,125,126,127,132,137,143,145,146,152,153,155,156,157,159,160,161,162,163,164,165 +0414_00240 28,29,67,73,81,88,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0414_00241 57,62,89,91,98,105,113,123,125,127,137,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0414_00242 65,66,74,77,80,92,97,98,105,109,110,112,113,117,120,121,125,126,127,132,137,141,142,143,145,147,149,153,155,156,157,160,161,162,163,164,165 +0414_00243 43,47,66,73,74,77,81,88,106,112,113,125,126,127,131,133,135,141,142,143,144,145,149,150,151,152,156,157,158,160,161,162,163,164,165 +0414_00244 50,57,62,66,72,74,76,83,89,96,99,105,112,115,118,123,126,127,132,136,137,140,141,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0414_00245 50,57,66,74,76,89,91,98,99,105,108,112,113,114,115,116,118,127,129,137,139,141,143,144,145,147,149,152,155,157,159,160,162,163,164,165 +0414_00246 108,109,114,115,116,118,123,126,128,129,136,138,140,141,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0414/0414_fingerprints_pubchem_canonical_success.tsv b/processed_data/0414/0414_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..55787ef2e --- /dev/null +++ b/processed_data/0414/0414_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,247 @@ +id bits.on +0414_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0414_00002 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0414_00003 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0414_00004 10,11,15,16,17,116,117,179,181,182,256,257,284,285,286,300,333,339,341,345,346,352,366,376,380,390,391,393,394,397,404,419,451,454,485,488,505,520,529,541,561,573,597,614,637,644,655 +0414_00005 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0414_00006 10,11,12,15,16,179,180,186,187,256,258,284,285,286,300,333,334,341,345,352,356,357,371,372,377,378,385,394,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00007 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0414_00008 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0414_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00010 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00011 10,15,19,20,31,34,284,287,294,300,305,315,367,369,375,408,412,426,457 +0414_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0414_00013 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0414_00014 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0414_00015 10,11,15,16,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,377,378,384,385,394,415,417,435,438,442,447,450,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0414_00016 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0414_00017 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,342,345,352,353,356,357,366,371,372,375,377,378,381,382,383,385,391,392,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,529,541,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,647,652,656,658,661,665,666,667,669,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0414_00018 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0414_00019 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00020 10,11,15,34,35,179,182,284,285,286,294,333,339,341,345,346,350,352,354,366,369,375,391,392,541 +0414_00021 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0414_00022 10,11,15,16,19,20,179,181,182,284,285,286,287,301,302,345,346,347,352,353,366,367,391,406,424,516,541,567,615,616,657,660 +0414_00023 10,11,15,19,20,21,31,34,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,426,440,444,452,457,529,541,644,647 +0414_00024 10,11,12,15,16,19,20,284,285,286,287,300,333,345,346,347,352,353,366,367,375,381,391,392,393,394,406,421,452,453,529,541,560,594,613,614,644,646,647 +0414_00025 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0414_00026 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0414_00027 10,11,15,16,19,144,146,147,284,285,286,301,302,333,345,346,352,366,391,424,516,541,593,614,657 +0414_00028 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,466,508,529,539,541,560,647 +0414_00029 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0414_00030 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0414_00031 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00032 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00033 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0414_00034 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0414_00035 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00036 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00037 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0414_00038 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0414_00039 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0414_00040 10,11,12,15,16,17,19,20,179,181,182,186,188,189,193,195,196,256,257,258,259,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,360,366,371,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,393,394,397,398,404,407,417,419,421,431,433,436,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,505,507,520,521,522,524,525,529,531,536,539,541,546,549,550,553,554,556,557,561,565,570,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,594,596,597,598,601,602,604,608,609,612,614,618,619,620,622,624,625,629,634,635,637,638,639,641,642,643,644,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,681,684,685,692,696,703,709,710 +0414_00041 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,460,466,508,529,539,541,560,647 +0414_00042 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00043 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00044 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00045 10,11,12,15,16,19,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,360,367,371,372,376,377,378,380,382,385,387,388,390,391,393,394,397,400,401,404,406,410,417,419,421,432,433,435,437,438,439,442,443,444,447,449,450,451,454,462,465,471,473,477,483,485,486,488,489,491,494,495,496,499,500,503,505,507,517,520,521,524,525,528,531,536,537,539,540,542,543,546,547,548,549,550,553,554,556,557,561,565,566,567,570,571,573,574,575,577,579,580,583,585,586,590,593,595,596,597,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,657,658,660,661,665,666,667,669,672,673,675,678,679,680,681,684,685,692,696,703,771,834 +0414_00046 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0414_00047 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00048 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0414_00049 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0414_00050 10,11,12,15,16,19,20,21,34,179,180,256,284,285,286,287,294,300,306,333,341,345,352,354,356,367,371,372,375,377,378,381,384,385,394,406,415,417,421,435,438,442,447,450,452,453,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,560,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0414_00051 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0414_00052 10,11,15,19,20,21,31,284,285,286,287,300,315,333,342,345,352,353,366,367,375,391,393,394,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,529,541,554,600,644,647,672 +0414_00053 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0414_00054 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00055 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00056 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00057 10,11,12,15,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,517,521,525,546,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00058 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0414_00059 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0414_00060 10,11,12,13,15,16,17,19,20,21,34,35,130,132,133,144,146,147,179,184,185,256,257,284,285,286,287,294,300,302,309,333,334,339,341,345,346,347,350,352,353,354,356,358,359,366,367,369,371,375,376,377,380,381,384,388,391,392,393,394,396,397,404,406,407,413,417,419,421,422,431,432,438,440,441,442,443,444,447,450,451,452,453,454,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,525,529,532,534,536,537,539,540,541,547,554,556,557,561,567,570,571,574,577,580,581,587,593,594,595,598,603,608,612,614,615,620,644,646,647,655,657,659,660,667,668,672,675 +0414_00061 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0414_00062 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,301,302,333,341,345,346,352,356,358,359,366,367,371,372,373,374,375,377,378,381,385,387,388,391,394,395,396,397,399,404,406,417,419,421,432,435,436,438,442,443,446,447,448,450,452,453,454,465,468,471,473,483,486,491,492,496,500,503,507,515,517,519,521,522,524,525,531,539,540,541,546,547,548,550,553,556,557,560,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,645,657,658,661,665,666,669,678,679,680,684,771,834 +0414_00063 10,11,12,15,19,20,21,31,284,285,286,287,315,333,342,345,352,353,366,367,375,391,392,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,541,554,600,647,672 +0414_00064 10,11,15,16,19,179,181,182,284,285,286,301,302,333,345,346,352,366,391,424,516,541,583,593,614,657,684 +0414_00065 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0414_00066 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0414_00067 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0414_00068 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0414_00069 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0414_00070 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0414_00071 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0414_00072 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00073 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,667,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00074 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,341,345,352,356,366,371,372,375,376,377,378,385,391,392,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684 +0414_00075 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00076 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00077 10,11,12,15,16,19,20,21,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,406,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,595,596,597,598,600,601,604,605,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,686,690,691,692,694,696,701,703,704,709,710,711,713 +0414_00078 10,11,12,13,19,20,21,144,145,150,151,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,572,574,583,595,600,615,618,620,638,640,641,661,667,672,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0414_00079 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,421,432,435,438,442,443,447,450,451,452,453,454,458,465,466,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00080 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00081 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0414_00082 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00083 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0414_00084 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0414_00085 10,11,19,20,21,31,284,285,287,315,345,347,353,367,375,408,412,426,457 +0414_00086 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0414_00087 10,11,19,20,21,31,284,285,287,315,333,342,345,353,367,375,381,406,408,412,417,421,426,435,441,442,444,447,453,457,499,525,554,574,595,600,620,667,672 +0414_00088 10,11,12,13,15,16,19,20,144,149,150,179,180,256,284,285,286,287,300,333,334,336,337,341,345,352,353,356,357,367,371,372,375,376,381,385,391,393,394,406,417,419,421,431,435,439,440,441,442,443,444,447,451,452,453,454,465,471,488,491,494,517,520,521,525,536,537,539,549,550,553,554,556,557,565,570,571,574,575,577,579,580,583,585,593,595,596,597,598,600,604,605,608,609,612,614,619,620,624,629,634,635,638,641,642,646,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0414_00089 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0414_00090 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,615,616,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0414_00091 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0414_00092 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0414_00093 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0414_00094 10,11,12,15,16,19,20,21,144,147,179,180,256,257,258,284,285,286,287,300,301,302,309,333,334,342,345,346,352,353,356,357,366,371,372,377,382,383,385,394,395,396,399,402,406,407,410,417,419,421,424,431,433,435,436,440,442,443,444,447,448,450,452,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,542,543,546,547,549,550,553,554,556,557,559,565,566,571,574,575,577,579,580,583,585,590,591,593,595,596,598,600,601,604,605,607,608,609,613,615,618,619,620,621,624,627,633,634,635,638,641,642,645,652,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,692,693,694,705,706,709,710,711,715,778 +0414_00095 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0414_00096 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0414_00097 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00098 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0414_00099 10,11,12,15,16,17,19,34,144,146,147,256,257,284,285,286,287,294,300,301,333,334,335,345,352,354,359,366,375,376,380,391,392,393,394,413,419,421,422,423,443,451,452,468,481,487,490,508,509,516,518,520,529,539,541,561,587,637,645,647,648 +0414_00100 10,11,12,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,386,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713,735,756,798,819 +0414_00101 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,284,285,286,287,333,339,341,345,346,352,366,375,376,380,390,391,392,397,398,404,419,421,451,452,454,485,488,505,520,522,541,561,573,583,593,597,614,637,646,647,648,651,655,680,684 +0414_00102 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0414_00103 10,11,12,15,19,144,149,150,179,180,184,185,186,256,284,285,286,287,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,541,546,550,553,557,565,571,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711,735,759,798,822 +0414_00104 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0414_00105 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00106 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0414_00107 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,350,352,354,356,358,359,367,369,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00108 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,431,432,433,435,438,442,443,444,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,560,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,648,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0414_00109 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0414_00110 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00111 10,11,12,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,478,491,496,516,517,519,521,525,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00112 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,700,709,710,711,736,799 +0414_00113 10,11,12,13,15,16,19,20,144,149,150,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,336,337,341,345,352,353,356,357,358,359,371,372,375,376,377,378,381,385,386,387,388,391,393,394,397,404,407,417,419,421,431,432,435,438,439,440,441,442,443,444,447,450,451,452,453,454,465,471,473,483,488,491,494,496,503,507,517,520,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0414_00114 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00115 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0414_00116 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00117 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0414_00118 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0414_00119 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0414_00120 10,11,12,15,16,19,20,179,181,182,186,188,189,256,257,258,259,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,397,398,404,407,417,419,421,431,432,433,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,561,565,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,596,597,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,637,638,639,641,642,643,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,705,708,709,710,711 +0414_00121 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,294,300,302,306,333,334,341,345,352,353,356,357,358,359,369,371,372,375,376,377,378,379,380,382,385,387,388,391,393,394,396,397,400,401,402,404,415,417,419,421,424,431,432,435,438,439,440,442,443,444,447,450,451,452,454,455,456,458,460,465,471,473,483,485,486,488,491,495,496,500,503,507,515,517,521,524,525,528,531,537,539,540,546,547,548,550,553,556,557,559,561,565,570,571,577,578,579,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,619,622,629,634,635,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,729,738,750,759,771,780,792,801,813,822,834 +0414_00122 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,337,341,342,345,352,353,356,366,371,372,375,376,377,378,381,382,383,385,391,392,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,560,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,637,638,639,641,642,644,646,647,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,690,692,703,704,743,806 +0414_00123 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 +0414_00124 10,11,12,13,15,19,20,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,386,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0414_00125 10,11,12,15,16,17,19,20,21,34,35,284,285,286,287,294,302,306,345,352,354,366,369,375,381,391,396,413,419,421,443,452,453,508,540,541,647 +0414_00126 10,11,12,19,20,21,31,34,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,426,441,444,453,457,536,580,615,638,682,687,688 +0414_00127 10,11,12,15,19,179,180,184,185,186,256,284,285,286,287,300,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,431,435,438,442,447,450,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,722,736,759,785,799,822 +0414_00128 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,342,345,347,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,690,762,825 +0414_00129 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,334,336,341,345,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,709,710,711,713 +0414_00130 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,342,345,347,353,354,356,367,371,372,375,376,380,382,383,384,385,390,391,393,394,397,404,406,415,417,419,421,435,442,447,451,452,454,458,460,466,471,477,484,485,488,491,499,505,517,520,521,525,532,533,535,542,543,549,553,557,561,565,566,568,571,573,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,637,638,641,642,648,652,656,661,663,665,667,669,678,679,680,681,690,763,826 +0414_00131 10,11,12,15,19,20,21,34,179,180,186,187,256,284,285,286,287,294,302,333,334,336,341,342,345,352,353,354,356,357,369,371,372,375,377,378,384,385,396,402,413,415,417,421,424,431,433,435,438,442,444,447,450,455,456,458,460,465,466,471,491,494,501,503,508,515,517,521,525,532,533,536,546,547,550,553,554,557,559,565,571,579,580,581,583,585,587,589,593,596,598,600,601,604,608,609,619,624,625,630,634,635,641,661,665,666,669,672,673,674,678,679,680,684,685,689,693,695,696,697,698,705,707,708,709,710,711,716,747,759,779,810,822 +0414_00132 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00133 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00134 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0414_00135 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00136 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,358,359,367,371,372,375,376,377,380,381,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,432,435,438,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,483,484,485,488,491,494,496,503,505,507,517,520,521,524,525,531,532,533,536,539,540,546,547,549,550,553,554,556,557,561,565,571,573,574,575,579,580,583,585,586,593,594,595,596,597,598,600,601,602,604,605,609,614,619,620,622,624,629,634,635,637,638,641,642,648,655,656,658,661,665,666,667,669,672,673,675,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0414_00137 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0414_00138 10,11,12,13,15,179,180,181,182,186,256,284,285,286,333,334,335,336,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0414_00139 10,11,12,13,15,19,20,144,147,179,180,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,541,564,567,568,583,611,614,615,616,638,639,657,660,662,663,680,681,689,690,697,698,700,709,710,711,712,713,778 +0414_00140 10,11,12,15,16,17,34,116,117,179,181,182,256,257,284,285,286,294,300,333,334,337,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655 +0414_00141 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00142 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,333,334,336,341,345,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00143 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0414_00144 10,11,12,15,19,20,31,34,35,144,146,147,284,285,286,287,294,305,315,333,345,346,347,350,352,353,354,366,367,369,375,391,408,412,413,421,426,452,457,490,508,541,646,647 +0414_00145 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0414_00146 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0414_00147 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00148 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00149 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,334,341,345,352,356,357,366,371,372,375,377,378,385,391,394,417,431,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0414_00150 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0414_00151 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0414_00152 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,336,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655,709 +0414_00153 10,11,12,15,19,20,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 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10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,415,417,435,442,447,458,466,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0414_00157 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0414_00158 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10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,333,341,345,347,352,353,354,356,358,359,366,367,371,372,375,377,378,384,385,387,388,391,392,397,404,406,413,417,419,421,422,432,435,438,440,442,443,444,447,450,452,454,463,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,538,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,768,831 +0414_00188 10,11,12,15,19,34,214,216,217,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0414_00189 10,11,12,13,19,20,21,22,23,31,144,147,150,151,179,180,182,183,186,187,189,193,200,207,256,258,284,285,287,309,315,333,334,336,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,408,412,417,421,426,431,435,441,442,444,447,453,457,471,477,491,499,521,525,536,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,631,635,638,640,641,642,652,654,656,661,662,663,664,665,667,669,678,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,736,741,756,762,777,778,798,799,804,819,820,825 +0414_00190 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0414_00191 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00192 10,11,12,19,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0414_00193 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,392,406,417,421,431,435,440,442,444,447,452,463,471,477,491,499,517,521,525,536,538,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,606,607,609,614,615,616,619,620,621,627,633,635,638,641,642,646,647,652,656,657,660,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0414_00194 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00195 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,335,341,342,345,352,353,356,357,358,359,367,371,372,375,377,382,383,385,388,391,393,394,396,406,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,465,471,477,491,494,496,499,503,515,517,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,559,560,565,566,571,574,575,576,579,580,581,582,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,608,609,614,619,620,622,624,625,626,627,629,634,635,638,639,640,641,642,643,644,646,651,652,653,654,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,699,701,702,705,709,710,711,712,741,757,804,820 +0414_00196 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0414_00197 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0414_00198 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,342,345,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,736,756,757,798,799,819,820 +0414_00199 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,374,375,376,380,382,383,385,390,391,397,404,406,407,417,419,423,431,435,442,447,448,451,454,468,471,477,485,487,488,491,492,497,499,505,516,517,518,520,521,522,525,541,542,543,549,553,557,561,565,566,567,568,571,572,573,574,575,579,583,585,590,593,595,596,597,600,604,605,607,609,613,614,615,618,619,620,621,627,633,635,637,638,641,642,652,655,656,660,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0414_00200 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,394,395,399,406,417,421,431,435,438,442,447,450,452,453,465,471,477,478,491,499,503,511,516,517,519,521,523,525,542,543,544,546,547,549,550,553,557,560,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,616,619,620,627,634,635,638,641,642,644,652,656,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,738,764,778,801,827 +0414_00201 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0414_00202 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0414_00203 10,11,12,15,16,17,19,20,21,34,179,180,256,284,285,286,294,300,302,306,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,396,402,415,417,424,435,438,442,447,450,455,456,458,460,465,466,471,484,491,496,503,515,521,525,532,533,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,630,634,635,641,649,657,658,661,665,666,669,678,679,680,684,726,747,750,771,789,810,813,834 +0414_00204 10,11,12,15,16,19,20,31,34,144,146,147,179,180,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,366,367,371,372,374,375,376,377,378,380,385,390,391,397,404,408,412,417,419,423,435,438,442,447,448,450,451,454,465,468,471,478,483,485,487,488,491,492,496,497,503,505,516,517,518,520,521,522,525,541,546,547,550,553,557,561,565,571,573,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,655,658,661,665,666,669,675,678,679,680,684 +0414_00205 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0414_00206 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0414_00207 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684 +0414_00208 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0414_00209 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,347,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0414_00210 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0414_00211 10,11,12,15,19,20,144,147,179,180,256,257,284,285,286,287,302,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,385,391,396,406,410,417,421,431,433,435,440,442,444,447,452,465,471,477,491,494,499,515,521,525,536,541,542,543,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,589,590,593,595,596,598,600,604,605,607,608,609,614,615,620,621,624,626,627,629,633,634,635,638,639,641,642,643,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,710,711 +0414_00212 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0414_00213 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,315,345,347,350,352,353,354,366,367,369,375,381,391,392,406,408,412,421,440,444,452,453,541,613,646,647,651 +0414_00214 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,333,334,341,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,396,406,417,419,421,431,432,435,441,442,443,444,447,453,462,471,477,491,499,517,521,525,536,539,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,701,705,709,710,711,713,756,757,819,820 +0414_00215 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0414_00216 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,567,571,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,735,759,798,822 +0414_00217 10,11,12,15,16,19,20,31,34,179,180,181,182,186,256,257,258,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,373,374,375,377,378,382,385,387,388,391,397,404,408,412,417,419,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,486,491,492,496,498,500,503,507,517,521,522,524,525,531,539,540,541,543,544,546,547,548,550,553,556,557,565,567,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,771,834 +0414_00218 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00219 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0414_00220 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00221 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457,638 +0414_00222 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00223 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,334,342,345,353,354,356,357,367,369,371,372,375,382,383,384,385,408,412,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0414_00224 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,286,287,294,300,306,315,333,340,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,384,385,394,408,412,415,417,435,442,447,458,460,466,471,484,491,517,521,525,529,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,644,661,665,669,678,679,680 +0414_00225 10,11,12,15,16,19,20,21,31,34,179,181,182,256,257,284,285,286,287,315,333,345,347,352,353,356,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,406,408,412,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,576,586,590,594,595,597,602,605,613,614,615,621,622,627,629,633,637,639,640,653,654,655,657,658,667,675 +0414_00226 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0414_00227 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0414_00228 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00229 10,11,12,19,20,21,31,32,34,35,284,285,287,315,345,347,353,367,375,408,412 +0414_00230 10,11,12,15,19,34,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,587,593,614,646,647,657 +0414_00231 10,11,12,15,19,34,179,180,284,285,286,287,294,333,339,341,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0414_00232 10,11,12,15,19,20,21,31,34,179,180,186,187,256,258,284,285,286,287,293,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00233 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0414_00234 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00235 10,11,12,13,15,16,19,20,21,34,144,150,179,180,256,284,285,286,287,306,333,334,338,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,406,417,421,431,435,441,442,444,447,452,453,471,477,491,499,517,521,525,536,541,542,543,545,549,553,557,565,566,568,571,574,575,579,581,583,585,590,595,596,600,604,605,607,609,613,614,615,619,620,621,623,627,631,633,635,638,639,641,642,647,652,656,657,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00236 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,646,647,657,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0414_00237 10,11,12,13,19,20,21,31,32,34,35,179,180,186,187,256,258,284,285,287,294,315,333,342,345,353,354,356,367,371,372,375,382,383,384,385,408,412,413,417,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,659,661,665,669,678,679,680,681,690,721,784 +0414_00238 10,11,12,13,19,20,179,180,183,186,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00239 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0414_00240 10,11,12,19,20,21,31,32,34,35,36,284,285,287,294,315,345,347,353,367,369,375,408,412 +0414_00241 10,11,12,13,19,20,179,180,182,183,186,187,193,194,200,201,207,256,257,258,260,262,284,285,287,309,333,334,336,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,714,756,757,777,798,819,820 +0414_00242 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,335,341,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,380,382,385,386,387,388,390,391,397,404,406,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,613,614,615,619,620,621,622,627,629,633,634,635,637,638,639,641,642,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,709,710,711,712,713,714,759,777,822 +0414_00243 10,11,12,13,15,16,19,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,336,337,341,342,345,352,353,356,357,371,372,375,376,377,378,382,383,385,391,393,394,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,509,512,517,521,525,542,543,546,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,652,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,722,735,736,759,785,798,799,822 +0414_00244 10,11,12,13,19,20,21,144,145,150,151,179,180,256,284,285,287,333,334,335,338,342,345,353,356,357,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713,714,735,756,777,798,819 +0414_00245 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00246 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,336,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 diff --git a/processed_data/0414/0414_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0414/0414_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..9262cb856 --- /dev/null +++ b/processed_data/0414/0414_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,247 @@ +id bits.on +0414_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0414_00002 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0414_00003 10,11,12,15,16,144,146,147,179,181,182,256,257,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,431,435,436,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711 +0414_00004 10,11,15,16,17,116,117,179,181,182,256,257,284,285,286,300,333,339,341,345,346,352,366,376,380,390,391,393,394,397,404,419,451,454,485,488,505,520,529,541,561,573,597,614,637,644,655 +0414_00005 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0414_00006 10,11,12,15,16,179,180,186,187,256,258,284,285,286,300,333,334,341,345,352,356,357,371,372,377,378,385,394,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00007 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0414_00008 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0414_00009 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00010 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00011 10,15,19,20,31,34,284,287,294,300,305,315,367,369,375,408,412,426,457 +0414_00012 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0414_00013 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0414_00014 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0414_00015 10,11,15,16,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,377,378,384,385,394,415,417,435,438,442,447,450,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0414_00016 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0414_00017 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,342,345,352,353,356,357,366,371,372,375,377,378,381,382,383,385,391,392,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,529,541,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,647,652,656,658,661,665,666,667,669,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0414_00018 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0414_00019 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00020 10,11,15,34,35,179,182,284,285,286,294,333,339,341,345,346,350,352,354,366,369,375,391,392,541 +0414_00021 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0414_00022 10,11,15,16,19,20,179,181,182,284,285,286,287,301,302,345,346,347,352,353,366,367,391,406,424,516,541,567,615,616,657,660 +0414_00023 10,11,15,19,20,21,31,34,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,426,440,444,452,457,529,541,644,647 +0414_00024 10,11,12,15,16,19,20,284,285,286,287,300,333,345,346,347,352,353,366,367,375,381,391,392,393,394,406,421,452,453,529,541,560,594,613,614,644,646,647 +0414_00025 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0414_00026 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0414_00027 10,11,15,16,19,144,146,147,284,285,286,301,302,333,345,346,352,366,391,424,516,541,593,614,657 +0414_00028 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,466,508,529,539,541,560,647 +0414_00029 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0414_00030 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,614,618,619,620,635,638,641,642,644,656,660,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0414_00031 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00032 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00033 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0414_00034 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0414_00035 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00036 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00037 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0414_00038 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0414_00039 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,704,709,710,711,715,736,762,778,799,825 +0414_00040 10,11,12,15,16,17,19,20,179,181,182,186,188,189,193,195,196,256,257,258,259,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,360,366,371,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,393,394,397,398,404,407,417,419,421,431,433,436,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,505,507,520,521,522,524,525,529,531,536,539,541,546,549,550,553,554,556,557,561,565,570,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,594,596,597,598,601,602,604,608,609,612,614,618,619,620,622,624,625,629,634,635,637,638,639,641,642,643,644,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,681,684,685,692,696,703,709,710 +0414_00041 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,415,419,421,436,443,448,452,453,458,460,466,508,529,539,541,560,647 +0414_00042 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00043 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00044 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0414_00045 10,11,12,15,16,19,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,360,367,371,372,376,377,378,380,382,385,387,388,390,391,393,394,397,400,401,404,406,410,417,419,421,432,433,435,437,438,439,442,443,444,447,449,450,451,454,462,465,471,473,477,483,485,486,488,489,491,494,495,496,499,500,503,505,507,517,520,521,524,525,528,531,536,537,539,540,542,543,546,547,548,549,550,553,554,556,557,561,565,566,567,570,571,573,574,575,577,579,580,583,585,586,590,593,595,596,597,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,657,658,660,661,665,666,667,669,672,673,675,678,679,680,681,684,685,692,696,703,771,834 +0414_00046 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0414_00047 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00048 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0414_00049 10,11,15,16,19,20,34,284,285,286,287,294,300,302,345,352,354,366,369,375,381,391,393,394,396,413,419,421,443,452,453,508,529,540,541,560,647 +0414_00050 10,11,12,15,16,19,20,21,34,179,180,256,284,285,286,287,294,300,306,333,341,345,352,354,356,367,371,372,375,377,378,381,384,385,394,406,415,417,421,435,438,442,447,450,452,453,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,560,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0414_00051 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0414_00052 10,11,15,19,20,21,31,284,285,286,287,300,315,333,342,345,352,353,366,367,375,391,393,394,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,529,541,554,600,644,647,672 +0414_00053 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0414_00054 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0414_00055 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0414_00056 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,393,394,417,431,435,442,447,471,491,517,521,525,529,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00057 10,11,12,15,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,517,521,525,546,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00058 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0414_00059 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,393,394,406,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,564,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,619,620,627,631,635,638,641,642,644,652,656,657,661,662,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,703,704,709,710,711,715,736,762,778,799,825 +0414_00060 10,11,12,13,15,16,17,19,20,21,34,35,130,132,133,144,146,147,179,184,185,256,257,284,285,286,287,294,300,302,309,333,334,339,341,345,346,347,350,352,353,354,356,358,359,366,367,369,371,375,376,377,380,381,384,388,391,392,393,394,396,397,404,406,407,413,417,419,421,422,431,432,438,440,441,442,443,444,447,450,451,452,453,454,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,525,529,532,534,536,537,539,540,541,547,554,556,557,561,567,570,571,574,577,580,581,587,593,594,595,598,603,608,612,614,615,620,644,646,647,655,657,659,660,667,668,672,675 +0414_00061 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0414_00062 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,301,302,333,341,345,346,352,356,358,359,366,367,371,372,373,374,375,377,378,381,385,387,388,391,394,395,396,397,399,404,406,417,419,421,432,435,436,438,442,443,446,447,448,450,452,453,454,465,468,471,473,483,486,491,492,496,500,503,507,515,517,519,521,522,524,525,531,539,540,541,546,547,548,550,553,556,557,560,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,645,657,658,661,665,666,669,678,679,680,684,771,834 +0414_00063 10,11,12,15,19,20,21,31,284,285,286,287,315,333,342,345,352,353,366,367,375,391,392,408,412,417,421,426,435,440,442,444,447,452,457,465,499,525,541,554,600,647,672 +0414_00064 10,11,15,16,19,179,181,182,284,285,286,301,302,333,345,346,352,366,391,424,516,541,583,593,614,657,684 +0414_00065 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0414_00066 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0414_00067 10,11,12,15,16,17,19,20,179,181,182,256,257,284,285,286,287,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,381,382,385,388,390,391,392,397,404,406,417,419,421,431,432,438,442,443,450,451,452,453,454,465,473,477,483,485,488,491,496,499,505,507,520,524,525,531,539,540,541,542,546,549,550,556,557,561,566,571,573,574,575,586,590,593,594,595,597,601,602,605,607,613,614,620,622,623,627,629,634,637,638,639,647,652,653,655,658,666,667,675,709 +0414_00068 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0414_00069 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0414_00070 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0414_00071 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0414_00072 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00073 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,667,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00074 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,341,345,352,356,366,371,372,375,376,377,378,385,391,392,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684 +0414_00075 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00076 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00077 10,11,12,15,16,19,20,21,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,406,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,595,596,597,598,600,601,604,605,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,686,690,691,692,694,696,701,703,704,709,710,711,713 +0414_00078 10,11,12,13,19,20,21,144,145,150,151,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,572,574,583,595,600,615,618,620,638,640,641,661,667,672,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0414_00079 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,421,432,435,438,442,443,447,450,451,452,453,454,458,465,466,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00080 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00081 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0414_00082 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00083 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0414_00084 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0414_00085 10,11,19,20,21,31,284,285,287,315,345,347,353,367,375,408,412,426,457 +0414_00086 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0414_00087 10,11,19,20,21,31,284,285,287,315,333,342,345,353,367,375,381,406,408,412,417,421,426,435,441,442,444,447,453,457,499,525,554,574,595,600,620,667,672 +0414_00088 10,11,12,13,15,16,19,20,144,149,150,179,180,256,284,285,286,287,300,333,334,336,337,341,345,352,353,356,357,367,371,372,375,376,381,385,391,393,394,406,417,419,421,431,435,439,440,441,442,443,444,447,451,452,453,454,465,471,488,491,494,517,520,521,525,536,537,539,549,550,553,554,556,557,565,570,571,574,575,577,579,580,583,585,593,595,596,597,598,600,604,605,608,609,612,614,619,620,624,629,634,635,638,641,642,646,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0414_00089 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0414_00090 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,615,616,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0414_00091 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0414_00092 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0414_00093 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0414_00094 10,11,12,15,16,19,20,21,144,147,179,180,256,257,258,284,285,286,287,300,301,302,309,333,334,342,345,346,352,353,356,357,366,371,372,377,382,383,385,394,395,396,399,402,406,407,410,417,419,421,424,431,433,435,436,440,442,443,444,447,448,450,452,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,519,521,525,536,539,542,543,546,547,549,550,553,554,556,557,559,565,566,571,574,575,577,579,580,583,585,590,591,593,595,596,598,600,601,604,605,607,608,609,613,615,618,619,620,621,624,627,633,634,635,638,641,642,645,652,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,692,693,694,705,706,709,710,711,715,778 +0414_00095 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0414_00096 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0414_00097 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00098 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0414_00099 10,11,12,15,16,17,19,34,144,146,147,256,257,284,285,286,287,294,300,301,333,334,335,345,352,354,359,366,375,376,380,391,392,393,394,413,419,421,422,423,443,451,452,468,481,487,490,508,509,516,518,520,529,539,541,561,587,637,645,647,648 +0414_00100 10,11,12,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,386,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713,735,756,798,819 +0414_00101 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,284,285,286,287,333,339,341,345,346,352,366,375,376,380,390,391,392,397,398,404,419,421,451,452,454,485,488,505,520,522,541,561,573,583,593,597,614,637,646,647,648,651,655,680,684 +0414_00102 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0414_00103 10,11,12,15,19,144,149,150,179,180,184,185,186,256,284,285,286,287,333,334,341,345,346,352,353,356,357,366,371,372,377,378,385,391,392,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,541,546,550,553,557,565,571,579,580,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711,735,759,798,822 +0414_00104 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0414_00105 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00106 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0414_00107 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,350,352,354,356,358,359,367,369,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00108 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,431,432,433,435,438,442,443,444,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,560,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,648,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0414_00109 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0414_00110 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0414_00111 10,11,12,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,478,491,496,516,517,519,521,525,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00112 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,700,709,710,711,736,799 +0414_00113 10,11,12,13,15,16,19,20,144,149,150,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,336,337,341,345,352,353,356,357,358,359,371,372,375,376,377,378,381,385,386,387,388,391,393,394,397,404,407,417,419,421,431,432,435,438,439,440,441,442,443,444,447,450,451,452,453,454,465,471,473,483,488,491,494,496,503,507,517,520,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0414_00114 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00115 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0414_00116 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00117 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0414_00118 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0414_00119 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0414_00120 10,11,12,15,16,19,20,179,181,182,186,188,189,256,257,258,259,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,379,380,381,382,383,385,386,388,389,390,391,392,397,398,404,407,417,419,421,431,432,433,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,561,565,571,573,574,575,577,578,579,580,581,582,583,585,586,589,593,596,597,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,637,638,639,641,642,643,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,705,708,709,710,711 +0414_00121 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0414_00122 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,337,341,342,345,352,353,356,366,371,372,375,376,377,378,381,382,383,385,391,392,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,560,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,637,638,639,641,642,644,646,647,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,690,692,703,704,743,806 +0414_00123 10,11,12,15,16,179,180,181,182,186,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684 +0414_00124 10,11,12,13,15,19,20,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,377,378,381,385,386,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0414_00125 10,11,12,15,16,17,19,20,21,34,35,284,285,286,287,294,302,306,345,352,354,366,369,375,381,391,396,413,419,421,443,452,453,508,540,541,647 +0414_00126 10,11,12,19,20,21,31,34,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,426,441,444,453,457,536,580,615,638,682,687,688 +0414_00127 10,11,12,15,19,179,180,184,185,186,256,284,285,286,287,300,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,431,435,438,442,447,450,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,722,736,759,785,799,822 +0414_00128 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,342,345,347,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,690,762,825 +0414_00129 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,334,336,341,345,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,709,710,711,713 +0414_00130 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,342,345,347,353,354,356,367,371,372,375,376,380,382,383,384,385,390,391,393,394,397,404,406,415,417,419,421,435,442,447,451,452,454,458,460,466,471,477,484,485,488,491,499,505,517,520,521,525,532,533,535,542,543,549,553,557,561,565,566,568,571,573,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,637,638,641,642,648,652,656,661,663,665,667,669,678,679,680,681,690,763,826 +0414_00131 10,11,12,15,19,20,21,34,179,180,186,187,256,284,285,286,287,294,302,333,334,336,341,342,345,352,353,354,356,357,369,371,372,375,377,378,384,385,396,402,413,415,417,421,424,431,433,435,438,442,444,447,450,455,456,458,460,465,466,471,491,494,501,503,508,515,517,521,525,532,533,536,546,547,550,553,554,557,559,565,571,579,580,581,583,585,587,589,593,596,598,600,601,604,608,609,619,624,625,630,634,635,641,661,665,666,669,672,673,674,678,679,680,684,685,689,693,695,696,697,698,705,707,708,709,710,711,716,747,759,779,810,822 +0414_00132 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0414_00133 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00134 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0414_00135 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00136 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,358,359,367,371,372,375,376,377,380,381,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,432,435,438,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,483,484,485,488,491,494,496,503,505,507,517,520,521,524,525,531,532,533,536,539,540,546,547,549,550,553,554,556,557,561,565,571,573,574,575,579,580,583,585,586,593,594,595,596,597,598,600,601,602,604,605,609,614,619,620,622,624,629,634,635,637,638,641,642,648,655,656,658,661,665,666,667,669,672,673,675,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0414_00137 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0414_00138 10,11,12,13,15,179,180,181,182,186,256,284,285,286,333,334,335,336,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0414_00139 10,11,12,13,15,19,20,144,147,179,180,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,392,406,541,564,567,568,583,611,614,615,616,638,639,657,660,662,663,680,681,689,690,697,698,700,709,710,711,712,713,778 +0414_00140 10,11,12,15,16,17,34,116,117,179,181,182,256,257,284,285,286,294,300,333,334,337,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655 +0414_00141 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0414_00142 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,333,334,336,341,345,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00143 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0414_00144 10,11,12,15,19,20,31,34,35,144,146,147,284,285,286,287,294,305,315,333,345,346,347,350,352,353,354,366,367,369,375,391,408,412,413,421,426,452,457,490,508,541,646,647 +0414_00145 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0414_00146 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0414_00147 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0414_00148 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0414_00149 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,334,341,345,352,356,357,366,371,372,375,377,378,385,391,394,417,431,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0414_00150 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,350,353,354,356,357,366,369,371,372,375,381,382,383,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,508,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,659,661,665,667,669,678,679,680,681,689,690,699,709,710,711,757,820 +0414_00151 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0414_00152 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,336,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655,709 +0414_00153 10,11,12,15,19,20,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 +0414_00154 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,352,353,356,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,417,421,435,438,442,447,450,452,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,646,647,652,655,656,658,661,665,666,667,669,675,678,679,680,681,682,683,684,690,720,722,783,785 +0414_00155 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0414_00156 10,11,12,19,20,21,31,34,35,179,180,256,284,285,287,294,315,333,342,345,347,353,354,356,367,369,371,372,375,382,383,384,385,408,412,413,415,417,435,442,447,458,466,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0414_00157 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0414_00158 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0414_00159 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0414_00160 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0414_00161 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,735,736,756,757,777,798,799,819,820 +0414_00162 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,350,352,353,354,356,357,359,367,369,371,372,375,376,377,380,381,382,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,485,488,491,494,496,499,503,505,507,517,520,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,609,614,619,620,622,624,627,629,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0414_00163 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0414_00164 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,699,709,710,711,722,738,750,757,764,785,801,813,820,827 +0414_00165 10,11,12,19,20,21,116,117,179,180,284,285,287,309,333,334,336,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,453,491,499,525,536,554,557,580,583,589,615,618,638,641,661,672,679,680,681,685,687,688,689,690,693,695,699,705,707,709,710,711 +0414_00166 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0414_00167 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0414_00168 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0414_00169 10,11,12,15,16,17,19,20,34,179,181,182,256,257,284,285,286,287,300,306,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,404,417,419,431,432,438,442,443,450,451,454,459,460,465,473,483,485,488,491,496,499,505,507,520,524,525,529,531,539,540,541,542,546,549,550,556,557,561,571,573,574,575,583,586,593,594,596,597,601,602,607,609,614,620,622,629,634,635,637,638,639,641,644,652,653,655,658,661,666,669,675,679,680,681,684,689,690,709,710,711 +0414_00170 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0414_00171 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0414_00172 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0414_00173 10,11,12,15,19,20,21,31,34,179,180,256,284,285,287,300,305,315,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0414_00174 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0414_00175 10,11,12,15,19,20,34,179,180,256,284,285,286,287,294,300,333,334,342,345,353,354,356,357,366,369,371,372,375,381,382,383,384,385,391,393,394,406,413,417,421,431,435,442,447,452,453,471,477,491,499,501,508,521,525,529,532,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,587,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,698,700,709,710,711,721,735,736,758,784,798,799,821 +0414_00176 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0414_00177 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,336,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,735,736,798,799 +0414_00178 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,286,287,294,306,315,333,342,345,353,354,356,366,367,371,372,375,382,383,384,385,391,408,412,415,417,435,442,447,458,460,466,471,484,491,499,517,521,525,532,533,541,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0414_00179 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,560,565,566,568,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,631,633,634,635,638,639,641,642,644,646,652,653,656,658,661,663,665,666,667,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0414_00180 10,11,15,16,19,20,21,31,34,35,144,146,147,256,257,284,286,287,294,301,315,366,367,369,375,391,397,406,408,412,413,419,421,422,423,452,454,468,476,490,497,509,519,522,541,647 +0414_00181 10,11,12,15,19,20,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,417,426,431,435,442,447,457,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0414_00182 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0414_00183 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713 +0414_00184 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0414_00185 10,11,15,16,19,284,285,286,301,302,345,346,352,366,375,391,424,516,541,657 +0414_00186 10,11,12,15,16,19,284,285,286,301,302,333,345,346,352,366,375,391,424,516,541,593,614,657 +0414_00187 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,333,341,345,347,352,353,354,356,358,359,366,367,371,372,375,377,378,384,385,387,388,391,392,397,404,406,413,417,419,421,422,432,435,438,440,442,443,444,447,450,452,454,463,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,538,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,768,831 +0414_00188 10,11,12,15,19,34,214,216,217,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0414_00189 10,11,12,13,19,20,21,22,23,31,144,147,150,151,179,180,182,183,186,187,189,193,200,207,256,258,284,285,287,309,315,333,334,336,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,408,412,417,421,426,431,435,441,442,444,447,453,457,471,477,491,499,521,525,536,542,543,545,549,553,557,564,565,566,568,571,572,574,575,576,579,580,583,585,590,595,596,600,604,605,607,609,611,615,618,619,620,627,631,635,638,640,641,642,652,654,656,661,662,663,664,665,667,669,678,679,680,681,682,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,736,741,756,762,777,778,798,799,804,819,820,825 +0414_00190 10,11,12,15,16,19,20,21,31,34,179,180,181,182,186,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,359,367,371,372,375,377,378,382,385,388,391,397,408,412,417,419,421,423,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,499,503,516,517,519,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,607,608,609,614,617,619,620,624,629,634,635,638,641,642,645,646,652,656,657,658,661,665,666,669,672,673,678,679,680,683,684,686,687 +0414_00191 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00192 10,11,12,19,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0414_00193 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,392,406,417,421,431,435,440,442,444,447,452,463,471,477,491,499,517,521,525,536,538,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,606,607,609,614,615,616,619,620,621,627,633,635,638,641,642,646,647,652,656,657,660,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0414_00194 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00195 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,335,341,342,345,352,353,356,357,358,359,367,371,372,375,377,382,383,385,388,391,393,394,396,406,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,465,471,477,491,494,496,499,503,515,517,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,559,560,565,566,571,574,575,576,579,580,581,582,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,608,609,614,619,620,622,624,625,626,627,629,634,635,638,639,640,641,642,643,644,646,651,652,653,654,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,699,701,702,705,709,710,711,712,741,757,804,820 +0414_00196 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0414_00197 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0414_00198 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,342,345,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,736,756,757,798,799,819,820 +0414_00199 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,374,375,376,380,382,383,385,390,391,397,404,406,407,417,419,423,431,435,442,447,448,451,454,468,471,477,485,487,488,491,492,497,499,505,516,517,518,520,521,522,525,541,542,543,549,553,557,561,565,566,567,568,571,572,573,574,575,579,583,585,590,593,595,596,597,600,604,605,607,609,613,614,615,618,619,620,621,627,633,635,637,638,641,642,652,655,656,660,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0414_00200 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,394,395,399,406,417,421,431,435,438,442,447,450,452,453,465,471,477,478,491,499,503,511,516,517,519,521,523,525,542,543,544,546,547,549,550,553,557,560,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,616,619,620,627,634,635,638,641,642,644,652,656,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,738,764,778,801,827 +0414_00201 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0414_00202 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0414_00203 10,11,12,15,16,17,19,20,21,34,179,180,256,284,285,286,294,300,302,306,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,396,402,415,417,424,435,438,442,447,450,455,456,458,460,465,466,471,484,491,496,503,515,521,525,532,533,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,630,634,635,641,649,657,658,661,665,666,669,678,679,680,684,726,747,750,771,789,810,813,834 +0414_00204 10,11,12,15,16,19,20,31,34,144,146,147,179,180,256,257,258,284,285,286,287,301,315,333,341,345,347,352,353,356,366,367,371,372,374,375,376,377,378,380,385,390,391,397,404,408,412,417,419,423,435,438,442,447,448,450,451,454,465,468,471,478,483,485,487,488,491,492,496,497,503,505,516,517,518,520,521,522,525,541,546,547,550,553,557,561,565,571,573,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,655,658,661,665,666,669,675,678,679,680,684 +0414_00205 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0414_00206 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0414_00207 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684 +0414_00208 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0414_00209 10,11,12,15,16,19,20,31,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,301,315,333,334,341,345,347,352,353,356,357,358,359,366,367,369,371,372,375,377,378,382,385,386,387,388,391,397,408,412,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,471,478,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,641,647,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0414_00210 10,11,12,19,20,31,34,35,179,180,186,187,256,258,284,285,287,294,315,333,345,347,353,354,356,367,371,372,375,384,385,408,412,417,426,435,442,447,457,471,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0414_00211 10,11,12,15,19,20,144,147,179,180,256,257,284,285,286,287,302,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,385,391,396,406,410,417,421,431,433,435,440,442,444,447,452,465,471,477,491,494,499,515,521,525,536,541,542,543,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,589,590,593,595,596,598,600,604,605,607,608,609,614,615,620,621,624,626,627,629,633,634,635,638,639,641,642,643,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,710,711 +0414_00212 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0414_00213 10,11,12,15,19,20,21,31,34,35,284,285,286,287,294,315,345,347,350,352,353,354,366,367,369,375,381,391,392,406,408,412,421,440,444,452,453,541,613,646,647,651 +0414_00214 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,333,334,341,342,345,347,352,353,356,357,367,371,372,375,381,382,383,385,396,406,417,419,421,431,432,435,441,442,443,444,447,453,462,471,477,491,499,517,521,525,536,539,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,699,701,705,709,710,711,713,756,757,819,820 +0414_00215 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0414_00216 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,567,571,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,735,759,798,822 +0414_00217 10,11,12,15,16,19,20,31,34,179,180,181,182,186,256,257,258,284,285,286,287,315,333,341,345,346,347,352,353,356,358,359,366,367,371,372,373,374,375,377,378,382,385,387,388,391,397,404,408,412,417,419,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,486,491,492,496,498,500,503,507,517,521,522,524,525,531,539,540,541,543,544,546,547,548,550,553,556,557,565,567,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,771,834 +0414_00218 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0414_00219 10,11,12,13,15,16,19,34,179,180,181,182,186,256,284,285,286,287,294,333,334,337,339,341,345,346,352,356,366,369,371,372,375,376,377,378,385,391,392,413,417,419,421,435,438,442,447,450,451,452,454,465,471,476,488,490,491,496,503,517,520,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,646,647,655,658,661,665,666,669,675,678,679,680,684 +0414_00220 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00221 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457,638 +0414_00222 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00223 10,11,12,19,20,31,34,35,179,180,256,284,285,287,294,315,333,334,342,345,353,354,356,357,367,369,371,372,375,382,383,384,385,408,412,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0414_00224 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,286,287,294,300,306,315,333,340,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,384,385,394,408,412,415,417,435,442,447,458,460,466,471,484,491,517,521,525,529,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,644,661,665,669,678,679,680 +0414_00225 10,11,12,15,16,19,20,21,31,34,179,181,182,256,257,284,285,286,287,315,333,345,347,352,353,356,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,406,408,412,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,576,586,590,594,595,597,602,605,613,614,615,621,622,627,629,633,637,639,640,653,654,655,657,658,667,675 +0414_00226 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0414_00227 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,341,345,346,352,353,356,358,359,366,367,371,372,375,376,377,380,382,385,388,390,391,392,397,404,408,412,417,419,432,435,438,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,541,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0414_00228 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00229 10,11,12,19,20,21,31,32,34,35,284,285,287,315,345,347,353,367,375,408,412 +0414_00230 10,11,12,15,19,34,284,285,286,287,294,333,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,587,593,614,646,647,657 +0414_00231 10,11,12,15,19,34,179,180,284,285,286,287,294,333,339,341,345,346,350,352,354,366,369,375,391,392,413,421,452,490,508,541,583,593,614,646,647,657,680,684 +0414_00232 10,11,12,15,19,20,21,31,34,179,180,186,187,256,258,284,285,286,287,293,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0414_00233 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0414_00234 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0414_00235 10,11,12,13,15,16,19,20,21,34,144,150,179,180,256,284,285,286,287,306,333,334,338,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,406,417,421,431,435,441,442,444,447,452,453,471,477,491,499,517,521,525,536,541,542,543,545,549,553,557,565,566,568,571,574,575,579,581,583,585,590,595,596,600,604,605,607,609,613,614,615,619,620,621,623,627,631,633,635,638,639,641,642,647,652,656,657,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0414_00236 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,646,647,657,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0414_00237 10,11,12,13,19,20,21,31,32,34,35,179,180,186,187,256,258,284,285,287,294,315,333,342,345,353,354,356,367,371,372,375,382,383,384,385,408,412,413,417,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,652,656,659,661,665,669,678,679,680,681,690,721,784 +0414_00238 10,11,12,13,19,20,179,180,183,186,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00239 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,375,377,382,383,385,388,391,397,404,406,417,419,435,436,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,633,634,635,638,641,642,652,656,657,658,661,663,665,666,667,669,678,679,680,681,682,684,690,692,720,783 +0414_00240 10,11,12,19,20,21,31,32,34,35,36,284,285,287,294,315,345,347,353,367,369,375,408,412 +0414_00241 10,11,12,13,19,20,179,180,182,183,186,187,193,194,200,201,207,256,257,258,260,262,284,285,287,309,333,334,336,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,714,756,757,777,798,819,820 +0414_00242 10,11,12,13,15,16,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,335,341,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,380,382,385,386,387,388,390,391,397,404,406,417,419,431,432,435,438,442,443,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,613,614,615,619,620,621,622,627,629,633,634,635,637,638,639,641,642,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,709,710,711,712,713,714,759,777,822 +0414_00243 10,11,12,13,15,16,19,34,179,180,186,187,256,258,284,285,286,287,294,300,333,334,336,337,341,342,345,352,353,356,357,371,372,375,376,377,378,382,383,385,391,393,394,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,509,512,517,521,525,542,543,546,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,652,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,700,709,710,711,713,722,735,736,759,785,798,799,822 +0414_00244 10,11,12,13,19,20,21,144,145,150,151,179,180,256,284,285,287,333,334,335,338,342,345,353,356,357,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713,714,735,756,777,798,819 +0414_00245 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0414_00246 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,336,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 diff --git a/processed_data/0414/0414_gradient.tsv b/processed_data/0414/0414_gradient.tsv new file mode 100644 index 000000000..b55a2c3ca --- /dev/null +++ b/processed_data/0414/0414_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.5 90 10 +3 0.5 90 10 +25 0.5 0 100 +28 0.5 0 100 diff --git a/processed_data/0414/0414_info.tsv b/processed_data/0414/0414_info.tsv new file mode 100644 index 000000000..769c1f1fd --- /dev/null +++ b/processed_data/0414/0414_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0414 10.1016/j.chroma.2014.05.003 Submitted by Fangyuan Sun José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz ROASMI_67 column temperature diff --git a/processed_data/0414/0414_metadata.tsv b/processed_data/0414/0414_metadata.tsv new file mode 100644 index 000000000..d9a2d42c1 --- /dev/null +++ b/processed_data/0414/0414_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0414 Agilent ZORBAX Eclipse Plus C18 L1 50.0 4.6 1.8 0.5 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 0.0 100.0 0 0 % % % % 1.0579999999999998 diff --git a/processed_data/0414/0414_report_canonical.pdf b/processed_data/0414/0414_report_canonical.pdf new file mode 100644 index 000000000..159f2023a Binary files /dev/null and b/processed_data/0414/0414_report_canonical.pdf differ diff --git a/processed_data/0414/0414_report_isomeric.pdf b/processed_data/0414/0414_report_isomeric.pdf new file mode 100644 index 000000000..fd00449ea Binary files /dev/null and b/processed_data/0414/0414_report_isomeric.pdf differ diff --git a/processed_data/0414/0414_rtdata_canonical_success.tsv b/processed_data/0414/0414_rtdata_canonical_success.tsv new file mode 100644 index 000000000..091e107e6 --- /dev/null +++ b/processed_data/0414/0414_rtdata_canonical_success.tsv @@ -0,0 +1,247 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0414_00001 C4H11N5 0.92 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0414_00002 C10H12N2O 1.35 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0414_00003 C10H14N2 1.36 CN1CCCC1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 SNICXCGAKADSCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0414_00004 C6H10N6 1.36 C1CC1NC2=NC(=NC(=N2)N)N InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12) LVQDKIWDGQRHTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0414_00005 C2H4N4 1.36 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0414_00006 C12H12N2 1.36 C1=CC(=CC=C1C2=CC=C(C=C2)N)N InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 HFACYLZERDEVSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) Benzidines (CHEMONTID:0003955) NA (NA) +0414_00007 C9H13NO2 1.36 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0414_00008 C10H11N5O 1.4 CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16) QHMTXANCGGJZRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0414_00009 C17H19NO3 1.47 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00010 C6H6N4O2 1.47 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00011 C2H8NO2PS 1.61 COP(=O)(N)SC InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) NNKVPIKMPCQWCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) Phosphoramidothioic-acid-O,S-diesters (CHEMONTID:0004665) NA (NA) NA (NA) +0414_00012 C13H21NO3 1.63 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0414_00013 C14H22N2O3 1.76 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0414_00014 C8H15N7O2S3 1.81 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0414_00015 C6H8N2O2S 1.82 C1=CC(=CC=C1N)S(=O)(=O)N InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00016 C10H16N6S 1.83 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0414_00017 C11H16N2O2 1.85 CC1=C(C=CC(=C1)OC(=O)NC)N(C)C InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14) IMIDOCRTMDIQIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00018 C4H10NO3PS 1.86 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0414_00019 C7H8N4O2 1.96 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00020 C5H11NS3 2.02 CN(C)C1CSSSC1 InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3 DNVLJEWNNDHELH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Trithianes (CHEMONTID:0001862) NA (NA) NA (NA) NA (NA) +0414_00021 C13H22N4O3S 2.03 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0414_00022 C4H8N2O2 2.21 C1COCCN1N=O InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2 ZKXDGKXYMTYWTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0414_00023 C5H12NO4PS 2.22 CNC(=O)CSP(=O)(OC)OC InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7) PZXOQEXFMJCDPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0414_00024 C9H20N2O2 2.3 CCCOC(=O)NCCCN(C)C InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) WZZLDXDUQPOXNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0414_00025 C11H13N3O 2.39 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00026 C8H9NO2 2.66 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0414_00027 C4H8N2O 2.66 C1CCN(C1)N=O InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2 WNYADZVDBIBLJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) NA (NA) NA (NA) NA (NA) +0414_00028 C7H14N2O3S 2.7 CC(C)(C=NOC(=O)NC)S(=O)C InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10) BXPMAGSOWXBZHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0414_00029 C6H9N3O3 2.77 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0414_00030 C10H15NO 2.78 CC(C(C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 KWGRBVOPPLSCSI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00031 C7H8N4O2 2.8 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00032 C18H21NO3 3.16 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00033 C9H9N3O2 3.27 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00034 C18H34N2O6S 3.66 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00035 C9H13N 3.82 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00036 C10H10N4O2S 4.16 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00037 C7H14N2O4S 4.36 CC(C(=NOC(=O)NC)C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10) CTJBHIROCMPUKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0414_00038 C10H7N3S 4.54 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00039 C10H13NO2 4.74 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00040 C14H17N5O3 4.78 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) JOHZPMXAZQZXHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) N-arylpiperazines (CHEMONTID:0003359) NA (NA) +0414_00041 C7H14N2O4S 4.81 CC(C)(C=NOC(=O)NC)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10) YRRKLBAKDXSTNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0414_00042 C10H15N 4.88 CC(CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 MYWUZJCMWCOHBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00043 C19H21NO4 4.94 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3 JJGYGPZNTOPXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00044 C8H10N4O2 5.08 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00045 C11H8N2O 5.19 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) UYJUZNLFJAWNEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00046 C9H9N3O2S2 5.2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00047 C11H11N3O2S 5.27 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00048 C11H15NO2 5.39 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00049 C5H10N2O2S 5.39 CC(=NOC(=O)NC)SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8) UHXUZOCRWCRNSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0414_00050 C8H10N2O4S 5.43 COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) VGPYEHKOIGNJKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00051 C14H20N2O2 5.55 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0414_00052 C7H14NO5P 5.55 CC(=CC(=O)NC)OP(=O)(OC)OC InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9) KRTSDMXIXPKRQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0414_00053 C14H18N4O3 5.6 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0414_00054 C11H12N4O2S 5.73 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00055 C19H23NO3 5.83 CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1 InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3 OGDVEMNWJVYAJL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00056 C11H17N 5.85 CCNC(C)CC1=CC=CC=C1 InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 YAGBSNMZQKEFCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00057 C8H11N 5.94 CC1=C(C(=CC=C1)C)N InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 UFFBMTHBGFGIHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0414_00058 C22H24N2O9 6.11 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) OWFJMIVZYSDULZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00059 C12H17NO2 6.16 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00060 C16H17N5O7S2 6.29 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26) GPRBEKHLDVQUJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0414_00061 C17H23NO3 6.29 CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 RKUNBYITZUJHSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0414_00062 C11H10N4O4 6.32 COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16) OVGGLBAWFMIPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0414_00063 C8H16NO5P 6.41 CC(=CC(=O)N(C)C)OP(=O)(OC)OC InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3 VEENJGZXVHKXNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0414_00064 C5H10N2O 6.57 C1CCN(CC1)N=O InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2 UWSDONTXWQOZFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Nitrosopiperidines (CHEMONTID:0002442) NA (NA) NA (NA) +0414_00065 C16H19NO4 6.61 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00066 C22H24N2O8 6.62 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) NWXMGUDVXFXRIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00067 C11H18N4O2 6.86 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00068 C13H24N4O3S 6.87 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00069 C11H12N2O 6.97 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00070 C9H10N4O2S2 7.12 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00071 C17H21NO4 7.3 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 ZPUCINDJVBIVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00072 C10H10N4O 7.57 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0414_00073 C43H74N2O14 7.59 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3 ACTOXUHEUCPTEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00074 C9H12N2O 7.72 CN(C)C(=O)NC1=CC=CC=C1 InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12) XXOYNJXVWVNOOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00075 C12H15NO4 7.87 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00076 C16H19N3O4S 7.93 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00077 C15H19N3O4 8.04 CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) NUPJIGQFXCQJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00078 C23H34O5 8.14 CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3 SHIBSTMRCDJXLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0414_00079 C15H13N3O3S 8.64 COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) BEZZFPOZAYTVHN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00080 C8H15N5S 8.74 CCNC1=NC(=NC(=N1)SC)NCC InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) MGLWZSOBALDPEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00081 C22H24N2O8 8.75 CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31) SGKRLCUYIXIAHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00082 C8H15N5S 8.8 CC(C)NC1=NC(=NC(=N1)NC)SC InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13) HCRWJJJUKUVORR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00083 C5H12NO3PS2 9 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00084 C10H19N5O 9.02 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) ISEUFVQQFVOBCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Alkoxy-S-triazines (CHEMONTID:0004638) 2-methoxy-1,3,5-triazines (CHEMONTID:0004731) +0414_00085 C6H15O4P 9.03 CCOP(=O)(OCC)OCC InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 DQWPFSLDHJDLRL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0414_00086 C10H11N3O3S 9.06 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00087 C7H13O6P 9.1 CC(=CC(=O)OC)OP(=O)(OC)OC InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3 GEPDYQSQVLXLEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00088 C16H20N2O3 9.12 CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20) FFCCBBNQPIMUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00089 C16H21NO2 9.19 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00090 C20H28N2O5 9.21 CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25) GBXSMTUPTTWBMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0414_00091 C10H19N5O 9.32 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0414_00092 C18H24O3 9.36 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00093 C10H13NO2 9.38 CCOC1=CC=C(C=C1)NC(=O)C InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) CPJSUEIXXCENMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0414_00094 C12H9N3O5 9.51 C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17) YCWSUKQGVSGXJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0414_00095 C7H14N2O2S 9.65 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00096 C13H11NO5 9.71 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0414_00097 C37H67NO13 9.73 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00098 C17H21NO 9.81 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0414_00099 C9H16N4OS 9.87 CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) HBPDKDSFLXWOAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Aminothiadiazoles (CHEMONTID:0002562) 2-amino-1,3,4-thiadiazoles (CHEMONTID:0004001) +0414_00100 C12H11NO 10 C1=CC=C2C(=C1)C=CC=C2CC(=O)N InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14) XFNJVKMNNVCYEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00101 C12H20N4O2 10.09 CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 CAWXEEYDBZRFPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00102 C46H77NO17 10.14 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00103 C11H11NO 10.15 C1CC(=O)N2CCC3=CC=CC1=C32 InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 XRJLAOUDSILTFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0414_00104 C7H14N2O2S 10.18 CC(C)(C=NOC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0414_00105 C9H17N5S 10.38 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00106 C12H14N4O4S 10.41 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00107 C12H15N3O2S 10.51 CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) HXHWSAZORRCQMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00108 C16H13N3O3 10.7 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) OPXLLQIJSORQAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0414_00109 C23H36O7 10.73 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) TUZYXOIXSAXUGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0414_00110 C16H18N2O4S 10.77 CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22) JGSARLDLIJGVTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0414_00111 C14H18N2O4 10.89 CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 UWVQIROCRJWDKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0414_00112 C9H11NO2 11.02 CC1=CC(=CC=C1)OC(=O)NC InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11) VOEYXMAFNDNNED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00113 C17H17N3O3 11.04 CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) CABMTIJINOIHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0414_00114 C38H69NO13 11.1 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00115 C15H12N2O 11.21 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0414_00116 C41H76N2O15 11.28 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 RXZBMPWDPOLZGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00117 C13H18N2O2 11.3 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0414_00118 C21H27NO 11.39 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0414_00119 C8H14N4OS 11.46 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0414_00120 C12H12N2O3 11.49 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0414_00121 C15H11N5O7S 11.51 CS(=O)(=O)NC1=NC2=C(C=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC1=O InChI=1S/C15H11N5O7S/c1-28(26,27)18-14-15(21)17-12-7-13(20(24)25)10(6-11(12)16-14)8-2-4-9(5-3-8)19(22)23/h2-7H,1H3,(H,16,18)(H,17,21) BPLKVECUSNXVBO-UHFFFAOYSA-N +0414_00122 C14H21N3O3 11.57 CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19) OWNAXTAAAQTBSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0414_00123 C12H13N3 11.63 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00124 C18H13NO3 11.72 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) JXTHEWSKYLZVJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00125 C10H18N4O4S3 11.8 CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3 XDOTVMNBCQVZKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0414_00126 C10H19O7PS 11.82 CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3 WSORODGWGUUOBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00127 C14H19NO 11.83 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 DECIPOUIJURFOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0414_00128 C11H15NO3 11.9 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00129 C14H18N2O 11.92 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 PXWLVJLKJGVOKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00130 C15H19N5O7S 11.92 COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21) WMLPCIHUFDKWJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0414_00131 C14H13NO7S 12.02 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-] InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 KPUREKXXPHOJQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0414_00132 C42H69NO15 12.02 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3 XJSFLOJWULLJQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00133 C10H19N5S 12.06 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00134 C10H11N3OS 12.08 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0414_00135 C12H15NO3 12.09 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00136 C15H16N4O5S 12.16 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) ZDXMLEQEMNLCQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00137 C20H33NO 12.37 CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3 RYAUSSKQMZRMAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00138 C19H31N 12.48 CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2 InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3 MGNFYQILYYYUBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00139 C18H35NO2 12.53 CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3 PUYXTUJWRLOUCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0414_00140 C11H19N5S 12.56 CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) HDHLIWCXDDZUFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00141 C15H13N3O2S 12.59 COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) HDDSHPAODJUKPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00142 C23H26N2 12.6 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3 WZKXBGJNNCGHIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Triphenyl compounds (CHEMONTID:0004524) NA (NA) NA (NA) NA (NA) +0414_00143 C10H12N2O3S 12.67 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0414_00144 C9H18NO3PS2 12.68 CCC(C)SP(=O)(N1CCSC1=O)OCC InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3 DUFVKSUJRWYZQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Thiazolidines (CHEMONTID:0000226) NA (NA) NA (NA) +0414_00145 C12H17NO 12.82 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0414_00146 C19H19N3O5S 12.85 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26) UWYHMGVUTGAWSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00147 C12H18N2O 12.94 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0414_00148 C15H21NO4 12.94 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00149 C9H14N2O2S 12.95 CC1=CC=C(C=C1)NS(=O)(=O)N(C)C InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3 UDCDOJQOXWCCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0414_00150 C11H15NO2S 13.07 CCSCC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) HEZNVIYQEUHLNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00151 C15H16O2 13.1 CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0414_00152 C11H21N5S 13.13 CCNC1=NC(=NC(=N1)SC)NC(C)C(C)C InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16) IKYICRRUVNIHPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00153 C12H13NO2S 13.14 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0414_00154 C16H18N2O3 13.3 CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19) AMVYOVYGIJXTQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00155 C18H24O2 13.38 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3 VOXZDWNPVJITMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00156 C11H17O4PS2 13.52 CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3 XDNBJTQLKCIJBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00157 C11H15NO2 13.62 CC(C)C1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13) QBSJMKIUCUGGNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cumenes (CHEMONTID:0000355) NA (NA) NA (NA) +0414_00158 C16H14O3 13.69 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0414_00159 C19H28O2 13.71 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3 MUMGGOZAMZWBJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0414_00160 C14H14O3 13.82 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00161 C12H16O3 14.18 CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)O InChI=1S/C12H16O3/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6,13H,1-4H3,(H,14,15) JXQCUCDXLSGQNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0414_00162 C16H18N4O7S 14.2 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00163 C42H67NO10 14.21 CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3 RDECBWLKMPEKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00164 C7H6N2O5 14.21 CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 ZXVONLUNISGICL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0414_00165 C13H16O5 14.24 CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1 InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3 RVKCCVTVZORVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Vinylogous acids (CHEMONTID:0003889) NA (NA) NA (NA) NA (NA) +0414_00166 C14H15N3 14.28 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00167 C20H24O2 14.28 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3 BFPYWIDHMRZLRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00168 C18H20O2 14.41 CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3 WKRLQDKEXYKHJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0414_00169 C13H24N4O3S 14.43 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0414_00170 C18H22O2 14.6 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 DNXHEGUUPJUMQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00171 C19H26O2 14.79 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 AEMFNILZOJDQLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0414_00172 C41H65NO10 14.94 CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 SRJQTHAZUNRMPR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00173 C11H16NO4PS 14.94 CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18) YFVOXLJXJBQDEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00174 C19H16O4 14.95 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0414_00175 C11H15NO2S 15.02 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00176 C12H17NO2 15.02 CCC(C)C1=CC=CC=C1OC(=O)NC InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14) DIRFUJHNVNOBMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00177 C12H17NO2 15.02 CC1=CC(=CC(=C1)OC(=O)NC)C(C)C InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14) DTAPQAJKAFRNJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00178 C10H16NO5PS2 15.29 CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3 JISACBWYRJHSMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00179 C14H21NO4 15.31 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0414_00180 C6H11N2O4PS3 15.33 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0414_00181 C13H22NO3PS 15.41 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00182 C10H12N3O3PS2 15.42 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0414_00183 C23H34O5 15.71 CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3 AJLFOPYRIVGYMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0414_00184 C22H17N3O5 15.81 COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3 WFDXOXNFNRHQEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0414_00185 C4H10N2O 15.87 CCN(CC)N=O InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 WBNQDOYYEUMPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic N-nitroso compounds (CHEMONTID:0004777) NA (NA) +0414_00186 C8H18N2O 15.87 CCCCN(CCCC)N=O InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3 YGJHZCLPZAZIHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic N-nitroso compounds (CHEMONTID:0004777) NA (NA) +0414_00187 C16H14N2O2S 16.01 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3 XIGAUIHYSDTJHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0414_00188 C9H17NOS 16.03 CCSC(=O)N1CCCCCC1 InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 DEDOPGXGGQYYMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0414_00189 C29H33O16P 16.05 CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35) LIQODXNTTZAGID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan lactones (CHEMONTID:0001510) Podophyllotoxins (CHEMONTID:0000047) NA (NA) NA (NA) +0414_00190 C14H17N2O4PS 16.12 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0414_00191 C21H38N 16.24 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1 CYDRXTMLKJDRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00192 C12H10O 16.3 C1=CC=C(C=C1)C2=CC=CC=C2O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00193 C17H21NO2 16.31 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 WXZVAROIGSFCFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00194 C8H10NO5PS 16.34 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 RLBIQVVOMOPOHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00195 C18H24N2O4 16.48 CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) PMHURSZHKKJGBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0414_00196 C13H15N3O3 16.48 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00197 C13H18O2 16.58 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0414_00198 C22H28N2O3 16.58 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) QCAWEPFNJXQPAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0414_00199 C20H23N3O2 16.59 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3 VGPIBGGRCVEHQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00200 C17H20N2O3 16.61 CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20) VHLKTXFWDRXILV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00201 C17H19NO4 17 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00202 C10H19O6PS2 17.02 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00203 C12H18N4O6S 17.02 CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) UNAHYJYOSSSJHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0414_00204 C12H16N3O3PS 17.07 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 AMFGTOFWMRQMEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,4-triazoles (CHEMONTID:0003314) +0414_00205 C19H20N2O2 17.16 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00206 C23H22O6 17.18 CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3 JUVIOZPCNVVQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0414_00207 C12H11N 17.19 C1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H DMBHHRLKUKUOEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00208 C9H12NO5PS 17.2 CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3 ZNOLGFHPUIJIMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00209 C12H16N3O3PS2 17.45 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3 RQVGAIADHNPSME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0414_00210 C14H15O2PS2 17.62 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00211 C14H21NO3 17.68 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3 QTDRLOKFLJJHTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furan-3-carboxylic acid and derivatives (CHEMONTID:0004759) NA (NA) +0414_00212 C15H15NO2 17.69 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0414_00213 C10H20NO5PS2 17.78 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3 KLGMSAOQDHLCOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00214 C18H19NO4 18.02 CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3 ZOTBXTZVPHCKPN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00215 C15H22O3 18.07 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00216 C20H23NO3 18.09 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 CJPQIRJHIZUAQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00217 C12H15N2O3PS 18.16 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 JYQUHIFYBATCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0414_00218 C10H19N5S 18.28 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00219 C16H23N3OS 18.3 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0414_00220 C23H42N 18.35 CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1 WNBGYVXHFTYOBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00221 C12H27O4P 18.43 CCCCOP(=O)(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0414_00222 C10H14NO5PS 18.5 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00223 C10H15O3PS2 18.54 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 PNVJTZOFSHSLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00224 C14H24NO4PS3 18.59 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 RRNIZKPFKNDSRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0414_00225 C10H17N2O4PS 18.81 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3 FGIWFCGDPUIBEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00226 C12H21N2O3PS 18.82 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00227 C11H20N3O3PS 18.98 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00228 C21H28O4 19.06 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0414_00229 C8H20O5P2S2 19.28 CCOP(=S)(OCC)OP(=S)(OCC)OCC InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 XIUROWKZWPIAIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +0414_00230 C10H21NOS 19.64 CCCCN(CC)C(=O)SCCC InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3 SGEJQUSYQTVSIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0414_00231 C11H21NOS 19.78 CCN(C1CCCCC1)C(=O)SCC InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 DFCAFRGABIXSDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0414_00232 C14H14NO4PS 19.97 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 AIGRXSNSLVJMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0414_00233 C14H21NOS 20.4 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00234 C25H46N 20.63 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1 QDYLMAYUEZBUFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00235 C20H30N2O5S 20.8 CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3 FYZBOYWSHKHDMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00236 C50H75NO14 21.17 CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)C)C InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52) ZKWQQXZUCOBISE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0414_00237 C16H20O6P2S3 21.19 COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3 WWJZWCUNLNYYAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00238 C21H30O2 21.21 CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3 QHMBSVQNZZTUGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0414_00239 C20H19NO3 21.22 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00240 C9H22O4P2S4 21.7 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 RIZMRRKBZQXFOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00241 C31H24O3 21.71 C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2 FVQITOLOYMWVFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Phenylnaphthalenes (CHEMONTID:0002044) NA (NA) NA (NA) +0414_00242 C20H22N2O 22 CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32 InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3 DMYHGDXADUDKCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0414_00243 C23H32N2OS 22.3 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) WOWBFOBYOAGEEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00244 C23H30O4 23.07 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3 GOLXNESZZPUPJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00245 C21H30O2 23.61 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3 CYQFCXCEBYINGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0414_00246 C24H38O4 27.48 CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 BJQHLKABXJIVAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) diff --git a/processed_data/0414/0414_rtdata_isomeric_success.tsv b/processed_data/0414/0414_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..e00095a6c --- /dev/null +++ b/processed_data/0414/0414_rtdata_isomeric_success.tsv @@ -0,0 +1,247 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0414_00001 C4H11N5 0.92 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0414_00002 C10H12N2O 1.35 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0414_00003 C10H14N2 1.36 CN1CCC[C@H]1C2=CN=CC=C2 InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 SNICXCGAKADSCV-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0414_00004 C6H10N6 1.36 C1CC1NC2=NC(=NC(=N2)N)N InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12) LVQDKIWDGQRHTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0414_00005 C2H4N4 1.36 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0414_00006 C12H12N2 1.36 C1=CC(=CC=C1C2=CC=C(C=C2)N)N InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 HFACYLZERDEVSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) Benzidines (CHEMONTID:0003955) NA (NA) +0414_00007 C9H13NO2 1.36 CNC[C@@H](C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0414_00008 C10H11N5O 1.4 CC1=NNC(=O)N(C1)/N=C\C2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6- QHMTXANCGGJZRX-SDQBBNPISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0414_00009 C17H19NO3 1.47 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00010 C6H6N4O2 1.47 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00011 C2H8NO2PS 1.61 COP(=O)(N)SC InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) NNKVPIKMPCQWCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) Phosphoramidothioic-acid-O,S-diesters (CHEMONTID:0004665) NA (NA) NA (NA) +0414_00012 C13H21NO3 1.63 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0414_00013 C14H22N2O3 1.76 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0414_00014 C8H15N7O2S3 1.81 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0414_00015 C6H8N2O2S 1.82 C1=CC(=CC=C1N)S(=O)(=O)N InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00016 C10H16N6S 1.83 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0414_00017 C11H16N2O2 1.85 CC1=C(C=CC(=C1)OC(=O)NC)N(C)C InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14) IMIDOCRTMDIQIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00018 C4H10NO3PS 1.86 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0414_00019 C7H8N4O2 1.96 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00020 C5H11NS3 2.02 CN(C)C1CSSSC1 InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3 DNVLJEWNNDHELH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Trithianes (CHEMONTID:0001862) NA (NA) NA (NA) NA (NA) +0414_00021 C13H22N4O3S 2.03 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0414_00022 C4H8N2O2 2.21 C1COCCN1N=O InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2 ZKXDGKXYMTYWTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0414_00023 C5H12NO4PS 2.22 CNC(=O)CSP(=O)(OC)OC InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7) PZXOQEXFMJCDPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) Secondary carboxylic acid amides (CHEMONTID:0001663) +0414_00024 C9H20N2O2 2.3 CCCOC(=O)NCCCN(C)C InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12) WZZLDXDUQPOXNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0414_00025 C11H13N3O 2.39 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00026 C8H9NO2 2.66 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0414_00027 C4H8N2O 2.66 C1CCN(C1)N=O InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2 WNYADZVDBIBLJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) NA (NA) NA (NA) NA (NA) +0414_00028 C7H14N2O3S 2.7 CC(C)(/C=N\OC(=O)NC)S(=O)C InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- BXPMAGSOWXBZHS-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00029 C6H9N3O3 2.77 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0414_00030 C10H15NO 2.78 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 KWGRBVOPPLSCSI-WPRPVWTQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00031 C7H8N4O2 2.8 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00032 C18H21NO3 3.16 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00033 C9H9N3O2 3.27 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00034 C18H34N2O6S 3.66 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00035 C9H13N 3.82 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00036 C10H10N4O2S 4.16 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00037 C7H14N2O4S 4.36 CC(/C(=N\OC(=O)NC)/C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5- CTJBHIROCMPUKL-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00038 C10H7N3S 4.54 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00039 C10H13NO2 4.74 CC(CC1=CC2=C(C=C1)OCO2)N InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 NGBBVGZWCFBOGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00040 C14H17N5O3 4.78 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) JOHZPMXAZQZXHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) N-arylpiperazines (CHEMONTID:0003359) NA (NA) +0414_00041 C7H14N2O4S 4.81 CC(C)(/C=N\OC(=O)NC)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- YRRKLBAKDXSTNC-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00042 C10H15N 4.88 C[C@@H](CC1=CC=CC=C1)NC InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 MYWUZJCMWCOHBA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00043 C19H21NO4 4.94 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 JJGYGPZNTOPXGV-SSTWWWIQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00044 C8H10N4O2 5.08 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0414_00045 C11H8N2O 5.19 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) UYJUZNLFJAWNEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00046 C9H9N3O2S2 5.2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00047 C11H11N3O2S 5.27 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00048 C11H15NO2 5.39 CC(CC1=CC2=C(C=C1)OCO2)NC InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3 SHXWCVYOXRDMCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00049 C5H10N2O2S 5.39 C/C(=N/OC(=O)NC)/SC InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4- UHXUZOCRWCRNSJ-DAXSKMNVSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfenyl compounds (CHEMONTID:0003260) NA (NA) NA (NA) NA (NA) +0414_00050 C8H10N2O4S 5.43 COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) VGPYEHKOIGNJKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00051 C14H20N2O2 5.55 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0414_00052 C7H14NO5P 5.55 C/C(=C\C(=O)NC)/OP(=O)(OC)OC InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+ KRTSDMXIXPKRQR-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0414_00053 C14H18N4O3 5.6 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0414_00054 C11H12N4O2S 5.73 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00055 C19H23NO3 5.83 CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1 InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1 OGDVEMNWJVYAJL-LEPYJNQMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0414_00056 C11H17N 5.85 CCNC(C)CC1=CC=CC=C1 InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 YAGBSNMZQKEFCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0414_00057 C8H11N 5.94 CC1=C(C(=CC=C1)C)N InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 UFFBMTHBGFGIHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0414_00058 C22H24N2O9 6.11 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 OWFJMIVZYSDULZ-PXOLEDIWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00059 C12H17NO2 6.16 CCNC(C)CC1=CC2=C(C=C1)OCO2 InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 PVXVWWANJIWJOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzodioxoles (CHEMONTID:0000296) NA (NA) NA (NA) NA (NA) +0414_00060 C16H17N5O7S2 6.29 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1 GPRBEKHLDVQUJE-VINNURBNSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0414_00061 C17H23NO3 6.29 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16? RKUNBYITZUJHSG-PJPHBNEVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0414_00062 C11H10N4O4 6.32 COC(=O)N/N=C\C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6- OVGGLBAWFMIPPY-SDQBBNPISA-N +0414_00063 C8H16NO5P 6.41 C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+ VEENJGZXVHKXNB-VOTSOKGWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0414_00064 C5H10N2O 6.57 C1CCN(CC1)N=O InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2 UWSDONTXWQOZFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Nitrosopiperidines (CHEMONTID:0002442) NA (NA) NA (NA) +0414_00065 C16H19NO4 6.61 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00066 C22H24N2O8 6.62 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 NWXMGUDVXFXRIG-WESIUVDSSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00067 C11H18N4O2 6.86 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 YFGYUFNIOHWBOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00068 C13H24N4O3S 6.87 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 BLJRIMJGRPQVNF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00069 C11H12N2O 6.97 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00070 C9H10N4O2S2 7.12 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00071 C17H21NO4 7.3 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 ZPUCINDJVBIVPJ-LJISPDSOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00072 C10H10N4O 7.57 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0414_00073 C43H74N2O14 7.59 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1 ACTOXUHEUCPTEW-CEUOBAOPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00074 C9H12N2O 7.72 CN(C)C(=O)NC1=CC=CC=C1 InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12) XXOYNJXVWVNOOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00075 C12H15NO4 7.87 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00076 C16H19N3O4S 7.93 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0414_00077 C15H19N3O4 8.04 CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) NUPJIGQFXCQJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00078 C23H34O5 8.14 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 SHIBSTMRCDJXLN-KCZCNTNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0414_00079 C15H13N3O3S 8.64 COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) BEZZFPOZAYTVHN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0414_00080 C8H15N5S 8.74 CCNC1=NC(=NC(=N1)SC)NCC InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) MGLWZSOBALDPEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00081 C22H24N2O8 8.75 C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 SGKRLCUYIXIAHR-AKNGSSGZSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0414_00082 C8H15N5S 8.8 CC(C)NC1=NC(=NC(=N1)NC)SC InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13) HCRWJJJUKUVORR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00083 C5H12NO3PS2 9 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00084 C10H19N5O 9.02 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) ISEUFVQQFVOBCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Alkoxy-S-triazines (CHEMONTID:0004638) 2-methoxy-1,3,5-triazines (CHEMONTID:0004731) +0414_00085 C6H15O4P 9.03 CCOP(=O)(OCC)OCC InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 DQWPFSLDHJDLRL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0414_00086 C10H11N3O3S 9.06 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00087 C7H13O6P 9.1 C/C(=C\C(=O)OC)/OP(=O)(OC)OC InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+ GEPDYQSQVLXLEU-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00088 C16H20N2O3 9.12 CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20) FFCCBBNQPIMUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00089 C16H21NO2 9.19 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00090 C20H28N2O5 9.21 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 GBXSMTUPTTWBMN-XIRDDKMYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0414_00091 C10H19N5O 9.32 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) BCQMBFHBDZVHKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0414_00092 C18H24O3 9.36 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00093 C10H13NO2 9.38 CCOC1=CC=C(C=C1)NC(=O)C InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) CPJSUEIXXCENMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0414_00094 C12H9N3O5 9.51 C1=CC(=CC=C1C(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-])O InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7- YCWSUKQGVSGXJO-QPEQYQDCSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0414_00095 C7H14N2O2S 9.65 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00096 C13H11NO5 9.71 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0414_00097 C37H67NO13 9.73 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00098 C17H21NO 9.81 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0414_00099 C9H16N4OS 9.87 CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) HBPDKDSFLXWOAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Aminothiadiazoles (CHEMONTID:0002562) 2-amino-1,3,4-thiadiazoles (CHEMONTID:0004001) +0414_00100 C12H11NO 10 C1=CC=C2C(=C1)C=CC=C2CC(=O)N InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14) XFNJVKMNNVCYEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00101 C12H20N4O2 10.09 CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 CAWXEEYDBZRFPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0414_00102 C46H77NO17 10.14 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00103 C11H11NO 10.15 C1CC(=O)N2CCC3=CC=CC1=C32 InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 XRJLAOUDSILTFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0414_00104 C7H14N2O2S 10.18 CC(C)(/C=N\OC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5- QGLZXHRNAYXIBU-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0414_00105 C9H17N5S 10.38 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00106 C12H14N4O4S 10.41 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0414_00107 C12H15N3O2S 10.51 CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) HXHWSAZORRCQMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00108 C16H13N3O3 10.7 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) OPXLLQIJSORQAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0414_00109 C23H36O7 10.73 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 TUZYXOIXSAXUGO-PZAWKZKUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0414_00110 C16H18N2O4S 10.77 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 JGSARLDLIJGVTE-MBNYWOFBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0414_00111 C14H18N2O4 10.89 CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3 UWVQIROCRJWDKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0414_00112 C9H11NO2 11.02 CC1=CC(=CC=C1)OC(=O)NC InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11) VOEYXMAFNDNNED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00113 C17H17N3O3 11.04 CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) CABMTIJINOIHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0414_00114 C38H69NO13 11.1 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00115 C15H12N2O 11.21 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0414_00116 C41H76N2O15 11.28 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HEWSMUCTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00117 C13H18N2O2 11.3 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0414_00118 C21H27NO 11.39 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0414_00119 C8H14N4OS 11.46 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0414_00120 C12H12N2O3 11.49 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) MHWLWQUZZRMNGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) Naphthyridine carboxylic acids and derivatives (CHEMONTID:0001858) NA (NA) +0414_00121 C15H11N5O7S 11.51 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0414_00122 C14H21N3O3 11.57 CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19) OWNAXTAAAQTBSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0414_00123 C12H13N3 11.63 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00124 C18H13NO3 11.72 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) JXTHEWSKYLZVJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00125 C10H18N4O4S3 11.8 C/C(=N/OC(=O)N(SN(C(=O)O/N=C(\SC)/C)C)C)/SC InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8- XDOTVMNBCQVZKG-OXAWKVHCSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfenyl compounds (CHEMONTID:0003260) NA (NA) NA (NA) NA (NA) +0414_00126 C10H19O7PS 11.82 CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3 WSORODGWGUUOBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00127 C14H19NO 11.83 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 DECIPOUIJURFOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0414_00128 C11H15NO3 11.9 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00129 C14H18N2O 11.92 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 PXWLVJLKJGVOKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0414_00130 C15H19N5O7S 11.92 COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21) WMLPCIHUFDKWJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0414_00131 C14H13NO7S 12.02 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-] InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 KPUREKXXPHOJQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0414_00132 C42H69NO15 12.02 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 XJSFLOJWULLJQS-NGVXBBESSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00133 C10H19N5S 12.06 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00134 C10H11N3OS 12.08 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0414_00135 C12H15NO3 12.09 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00136 C15H16N4O5S 12.16 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) ZDXMLEQEMNLCQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00137 C20H33NO 12.37 C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+ RYAUSSKQMZRMAI-ALOPSCKCSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00138 C19H31N 12.48 CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2 InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3 MGNFYQILYYYUBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0414_00139 C18H35NO2 12.53 CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3 PUYXTUJWRLOUCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0414_00140 C11H19N5S 12.56 CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) HDHLIWCXDDZUFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00141 C15H13N3O2S 12.59 COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) HDDSHPAODJUKPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0414_00142 C23H26N2 12.6 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3 WZKXBGJNNCGHIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Triphenyl compounds (CHEMONTID:0004524) NA (NA) NA (NA) NA (NA) +0414_00143 C10H12N2O3S 12.67 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0414_00144 C9H18NO3PS2 12.68 CCC(C)SP(=O)(N1CCSC1=O)OCC InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3 DUFVKSUJRWYZQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Thiazolidines (CHEMONTID:0000226) NA (NA) NA (NA) +0414_00145 C12H17NO 12.82 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0414_00146 C19H19N3O5S 12.85 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 UWYHMGVUTGAWSP-JKIFEVAISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0414_00147 C12H18N2O 12.94 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0414_00148 C15H21NO4 12.94 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00149 C9H14N2O2S 12.95 CC1=CC=C(C=C1)NS(=O)(=O)N(C)C InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3 UDCDOJQOXWCCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0414_00150 C11H15NO2S 13.07 CCSCC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13) HEZNVIYQEUHLNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00151 C15H16O2 13.1 CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0414_00152 C11H21N5S 13.13 CCNC1=NC(=NC(=N1)SC)NC(C)C(C)C InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16) IKYICRRUVNIHPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00153 C12H13NO2S 13.14 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0414_00154 C16H18N2O3 13.3 CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19) AMVYOVYGIJXTQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00155 C18H24O2 13.38 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 VOXZDWNPVJITMN-ZBRFXRBCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00156 C11H17O4PS2 13.52 CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3 XDNBJTQLKCIJBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00157 C11H15NO2 13.62 CC(C)C1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13) QBSJMKIUCUGGNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cumenes (CHEMONTID:0000355) NA (NA) NA (NA) +0414_00158 C16H14O3 13.69 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0414_00159 C19H28O2 13.71 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 MUMGGOZAMZWBJJ-DYKIIFRCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0414_00160 C14H14O3 13.82 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00161 C12H16O3 14.18 CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)O InChI=1S/C12H16O3/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6,13H,1-4H3,(H,14,15) JXQCUCDXLSGQNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0414_00162 C16H18N4O7S 14.2 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00163 C42H67NO10 14.21 CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1 RDECBWLKMPEKPM-PSCJHHPTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00164 C7H6N2O5 14.21 CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 ZXVONLUNISGICL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0414_00165 C13H16O5 14.24 CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1 InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3 RVKCCVTVZORVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Vinylogous acids (CHEMONTID:0003889) NA (NA) NA (NA) NA (NA) +0414_00166 C14H15N3 14.28 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00167 C20H24O2 14.28 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 BFPYWIDHMRZLRN-SLHNCBLASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00168 C18H20O2 14.41 C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CCC2=O InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1 WKRLQDKEXYKHJB-HFTRVMKXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0414_00169 C13H24N4O3S 14.43 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0414_00170 C18H22O2 14.6 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 DNXHEGUUPJUMQT-CBZIJGRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0414_00171 C19H26O2 14.79 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 AEMFNILZOJDQLW-QAGGRKNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0414_00172 C41H65NO10 14.94 CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 SRJQTHAZUNRMPR-UYQKXTDMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0414_00173 C11H16NO4PS 14.94 CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18) YFVOXLJXJBQDEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0414_00174 C19H16O4 14.95 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0414_00175 C11H15NO2S 15.02 CC1=CC(=CC(=C1SC)C)OC(=O)NC InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13) YFBPRJGDJKVWAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00176 C12H17NO2 15.02 CCC(C)C1=CC=CC=C1OC(=O)NC InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14) DIRFUJHNVNOBMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00177 C12H17NO2 15.02 CC1=CC(=CC(=C1)OC(=O)NC)C(C)C InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14) DTAPQAJKAFRNJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl methylcarbamates (CHEMONTID:0004640) NA (NA) NA (NA) +0414_00178 C10H16NO5PS2 15.29 CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3 JISACBWYRJHSMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00179 C14H21NO4 15.31 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0414_00180 C6H11N2O4PS3 15.33 COC1=NN(C(=O)S1)CSP(=S)(OC)OC InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) 1,3,4-thiadiazol-3-yl-organothiophosphates (CHEMONTID:0004770) NA (NA) +0414_00181 C13H22NO3PS 15.41 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0414_00182 C10H12N3O3PS2 15.42 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 CJJOSEISRRTUQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0414_00183 C23H34O5 15.71 CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 AJLFOPYRIVGYMJ-INTXDZFKSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0414_00184 C22H17N3O5 15.81 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ WFDXOXNFNRHQEC-GHRIWEEISA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0414_00185 C4H10N2O 15.87 CCN(CC)N=O InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3 WBNQDOYYEUMPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic N-nitroso compounds (CHEMONTID:0004777) NA (NA) +0414_00186 C8H18N2O 15.87 CCCCN(CCCC)N=O InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3 YGJHZCLPZAZIHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Organic nitroso compounds (CHEMONTID:0004776) Organic N-nitroso compounds (CHEMONTID:0004777) NA (NA) +0414_00187 C16H14N2O2S 16.01 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3 XIGAUIHYSDTJHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0414_00188 C9H17NOS 16.03 CCSC(=O)N1CCCCCC1 InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 DEDOPGXGGQYYMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0414_00189 C29H33O16P 16.05 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1 LIQODXNTTZAGID-OCBXBXKTSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan lactones (CHEMONTID:0001510) Podophyllotoxins (CHEMONTID:0000047) NA (NA) NA (NA) +0414_00190 C14H17N2O4PS 16.12 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0414_00191 C21H38N 16.24 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1 CYDRXTMLKJDRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00192 C12H10O 16.3 C1=CC=C(C=C1)C2=CC=CC=C2O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00193 C17H21NO2 16.31 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 WXZVAROIGSFCFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0414_00194 C8H10NO5PS 16.34 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 RLBIQVVOMOPOHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00195 C18H24N2O4 16.48 CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) PMHURSZHKKJGBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0414_00196 C13H15N3O3 16.48 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00197 C13H18O2 16.58 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0414_00198 C22H28N2O3 16.58 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) QCAWEPFNJXQPAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0414_00199 C20H23N3O2 16.59 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3 VGPIBGGRCVEHQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00200 C17H20N2O3 16.61 CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20) VHLKTXFWDRXILV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0414_00201 C17H19NO4 17 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00202 C10H19O6PS2 17.02 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00203 C12H18N4O6S 17.02 CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) UNAHYJYOSSSJHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0414_00204 C12H16N3O3PS 17.07 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 AMFGTOFWMRQMEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,4-triazoles (CHEMONTID:0003314) +0414_00205 C19H20N2O2 17.16 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00206 C23H22O6 17.18 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 JUVIOZPCNVVQFO-HBGVWJBISA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0414_00207 C12H11N 17.19 C1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H DMBHHRLKUKUOEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0414_00208 C9H12NO5PS 17.2 CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3 ZNOLGFHPUIJIMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00209 C12H16N3O3PS2 17.45 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3 RQVGAIADHNPSME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzo-1,2,3-triazines (CHEMONTID:0004659) Benzotriazine organothiophosphates (CHEMONTID:0004660) NA (NA) NA (NA) +0414_00210 C14H15O2PS2 17.62 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3 AWZOLILCOUMRDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00211 C14H21NO3 17.68 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3 QTDRLOKFLJJHTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Furans (CHEMONTID:0000076) Furoic acid and derivatives (CHEMONTID:0004758) Furan-3-carboxylic acid and derivatives (CHEMONTID:0004759) NA (NA) +0414_00212 C15H15NO2 17.69 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0414_00213 C10H20NO5PS2 17.78 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3 KLGMSAOQDHLCOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00214 C18H19NO4 18.02 CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N/OC)/C(=O)OC InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17- ZOTBXTZVPHCKPN-ZPHPHTNESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00215 C15H22O3 18.07 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0414_00216 C20H23NO3 18.09 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 CJPQIRJHIZUAQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0414_00217 C12H15N2O3PS 18.16 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 JYQUHIFYBATCCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0414_00218 C10H19N5S 18.28 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0414_00219 C16H23N3OS 18.3 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3 PRLVTUNWOQKEAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiadiazinanes (CHEMONTID:0003094) NA (NA) NA (NA) NA (NA) +0414_00220 C23H42N 18.35 CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1 WNBGYVXHFTYOBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00221 C12H27O4P 18.43 CCCCOP(=O)(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0414_00222 C10H14NO5PS 18.5 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00223 C10H15O3PS2 18.54 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 PNVJTZOFSHSLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00224 C14H24NO4PS3 18.59 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 RRNIZKPFKNDSRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0414_00225 C10H17N2O4PS 18.81 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3 FGIWFCGDPUIBEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00226 C12H21N2O3PS 18.82 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00227 C11H20N3O3PS 18.98 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 QHOQHJPRIBSPCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0414_00228 C21H28O4 19.06 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0414_00229 C8H20O5P2S2 19.28 CCOP(=S)(OCC)OP(=S)(OCC)OCC InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 XIUROWKZWPIAIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +0414_00230 C10H21NOS 19.64 CCCCN(CC)C(=O)SCCC InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3 SGEJQUSYQTVSIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0414_00231 C11H21NOS 19.78 CCN(C1CCCCC1)C(=O)SCC InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3 DFCAFRGABIXSDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thiocarbonyl compounds (CHEMONTID:0001198) Thiocarbamic acid derivatives (CHEMONTID:0001368) NA (NA) NA (NA) +0414_00232 C14H14NO4PS 19.97 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 AIGRXSNSLVJMEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphonothioates (CHEMONTID:0004766) Phenyl phenylphosphonothioates (CHEMONTID:0004767) NA (NA) +0414_00233 C14H21NOS 20.4 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0414_00234 C25H46N 20.63 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1 QDYLMAYUEZBUFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0414_00235 C20H30N2O5S 20.8 CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3 FYZBOYWSHKHDMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0414_00236 C50H75NO14 21.17 CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26?,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1 ZKWQQXZUCOBISE-BTUYMBSXSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0414_00237 C16H20O6P2S3 21.19 COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3 WWJZWCUNLNYYAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0414_00238 C21H30O2 21.21 CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 QHMBSVQNZZTUGM-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0414_00239 C20H19NO3 21.22 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 NHDHVHZZCFYRSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00240 C9H22O4P2S4 21.7 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 RIZMRRKBZQXFOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0414_00241 C31H24O3 21.71 C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2 FVQITOLOYMWVFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Phenylnaphthalenes (CHEMONTID:0002044) NA (NA) NA (NA) +0414_00242 C20H22N2O 22 CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32 InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3 DMYHGDXADUDKCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0414_00243 C23H32N2OS 22.3 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) WOWBFOBYOAGEEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0414_00244 C23H30O4 23.07 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3 GOLXNESZZPUPJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0414_00245 C21H30O2 23.61 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 CYQFCXCEBYINGO-IAGOWNOFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0414_00246 C24H38O4 27.48 CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 BJQHLKABXJIVAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) diff --git a/processed_data/0414/0414_validation_qspr_outliers.tsv b/processed_data/0414/0414_validation_qspr_outliers.tsv new file mode 100644 index 000000000..505573634 --- /dev/null +++ b/processed_data/0414/0414_validation_qspr_outliers.tsv @@ -0,0 +1,15 @@ +id error +0414_00027 5.779947431196327 +0414_00038 6.227067034020625 +0414_00078 7.077704942707246 +0414_00118 5.7329326357415376 +0414_00125 5.700008102815747 +0414_00165 6.060133947234908 +0414_00185 9.78214147536118 +0414_00189 9.41394653393891 +0414_00196 7.202728247209521 +0414_00206 5.725406854994937 +0414_00218 6.38284583705572 +0414_00242 5.771871978304585 +0414_00245 5.457653547522632 +0414_00246 5.619936973177172 diff --git a/processed_data/0415/0415_descriptors_canonical_success.tsv b/processed_data/0415/0415_descriptors_canonical_success.tsv new file mode 100644 index 000000000..4cf17f266 --- /dev/null +++ b/processed_data/0415/0415_descriptors_canonical_success.tsv @@ -0,0 +1,668 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0415_00001 11.993550890675545 15.995918690705317 -0.346662322350542 0.27615303694343063 4.0728381981798405 8.385133482031424 0.8333333333333334 -1.5999999999999999 131.1731582426381 0 3 1.79 2 6 8 1 22 0 0 0.6985999999999994 0.4880419599999992 34.1688 1 0 0 0 0 0 0 0 0 0 0 0 0.48300987308886895 36 92 10 16.322301304246523 1.8135890338051692 7.1499858154169145 4.7202790577468114 2.429706757670104 4 63.31999999999999 0.6666666666666666 0.4 0.33333333333333337 1.4142135623730951 2.6207413942088964 0 0 1.6509636244473134 0 2.381101577952299 0 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 2 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 3.92 2.88 0.8333333333333334 369.03 0 61 7.439157588755425 4.091422815075581 3.48866586690941 2.5930858439324753 1.0288507303191294 0.2721655269759087 0 0 5.794619474719246 3.075778085083427 2.24955326570865 1.5421551629295736 0.49732802478162424 0.10081715010194181 0 0 1.846703740019775 1.765631874000822 1.5532777246094183 0.7970775009922741 0.6152616977571371 0.358296106735843 0.7614856834587245 0 0.3285328532178296 0 0.3846319329299265 0 0.08560959096713483 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 1 0 364.30623117480485 370.68422345898455 422.8706212470705 358.2736369121095 178.69752552343758 10.908918372358373 8.830365887445575 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4.77492186851796 3.626803365006412 2.197542869659359 1.4390410657460486 4.016633349635003 7.389369805053958 12.024121973362018 2.651367696585483 4.307999857688023 5.948482324762985 1.2851600644126133 0.06804138174397717 0.6157420880884381 0.10206207261596575 0.9608021888652514 0.05932237473453119 0.3552046967118664 0.05932237473453118 0 0 0 0.3895195511812306 0.29535200735616096 0 0 0 0.1240028226427154 0.1002613840347933 0 0 0 23 1 1 0 0 0 2075.5819489050587 2483.2486849930115 3572.437130410904 4094.3952279851437 4221.262047814587 33.01039410156154 36.481540424505944 52.38424122618049 59.129262782192306 60.06777622405313 0.018666090461718673 -0.007641851097042012 0.0022761534089312152 -0.0064104510818466885 0.0021143965827859143 1 1 31.96376099999999 64.06623899999997 +0415_00384 11.89 15.998941079708292 -0.3884142374644974 0.1900535569952579 4.535554978408889 12.761749162260609 0.6666666666666666 0.6079999999999999 358.42893806986547 0 2 3.2199999999999998 6 13 29 0 52 0 0 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khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA 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63,134,175,317,319,405,420,422,479,484,509,512,517,524,576,625,662,674,675,686,755,767,787,880,923,924,948,968,977,982,984,1013 +0415_00041 96,117,132,134,223,231,245,307,319,323,337,405,422,506,508,524,576,582,585,631,662,686,696,727,806,828,867,897,948,963,968,981,982,1007 +0415_00042 64,67,129,132,134,163,168,217,245,309,319,337,405,422,441,481,506,508,524,576,582,584,589,600,615,631,662,686,850,860,868,887,889,948,968,982,991 +0415_00043 15,20,42,79,89,94,122,134,139,162,167,193,245,250,405,452,460,461,465,481,508,523,524,539,560,596,615,626,657,677,716,727,758,765,773,776,789,833,853,869,870,878,887,928,952,968,974,1004 +0415_00044 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0415_00045 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0415_00046 15,20,134,153,172,175,237,245,269,332,341,347,363,440,481,508,524,727,739,740,878,893,951,953,1022 +0415_00047 52,64,89,134,188,317,405,422,461,479,481,506,517,523,532,560,567,587,615,618,662,741,771,778,784,787,820,887,889,950,968,984 +0415_00048 29,122,127,134,151,153,167,192,207,211,227,297,390,474,487,515,516,527,550,586,626,640,647,676,696,781,787,792,802,814,940,948,968,998 +0415_00049 19,25,38,57,63,65,124,131,134,153,165,170,172,207,223,228,233,240,317,319,347,361,405,417,422,436,445,474,481,486,508,524,554,555,558,580,598,626,629,640,645,678,690,692,728,755,802,818,835,852,887,948,954,960,968,975 +0415_00050 15,26,39,134,204,245,432,499,508,662,679,690,735,759,815,911,947,948,973 +0415_00051 96,115,134,143,145,386,421,487,550,660,721,833,919,933,948,968 +0415_00052 12,51,110,124,134,195,219,223,245,264,343,405,506,508,529,566,582,583,622,628,662,711,727,803,836,846,898,968,981 +0415_00053 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64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0415_00059 88,134,219,239,245,249,288,317,405,422,479,507,508,529,582,591,622,628,662,778,787,803,836,866,871,917,950,968,975 +0415_00060 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0415_00061 6,20,45,51,53,112,134,142,153,181,206,207,227,235,260,265,278,292,341,347,350,390,392,394,481,504,508,516,523,550,601,626,647,649,727,728,779,790,800,802,812,943,948,968,1005,1015,1019 +0415_00062 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0415_00063 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8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0415_00071 15,67,77,89,122,132,134,137,139,153,168,199,245,311,317,319,326,330,386,405,422,436,461,479,486,508,524,530,544,582,614,626,631,632,662,671,699,704,722,782,783,787,791,836,846,850,866,920,930,936,964,968,974,1019 +0415_00072 15,20,62,67,98,153,166,224,389,449,485,495,515,524,617,630,631,657,707,723,740,778,826,907,948,968,994,1004 +0415_00073 21,134,153,176,220,261,326,400,405,408,422,549,568,626,666,706,751,773,786,800,922,948,959,968 +0415_00074 15,35,62,82,152,153,237,293,297,299,358,437,453,778,789,818,826,948,983,994,1023 +0415_00075 13,20,134,166,230,278,299,300,347,381,410,481,482,487,508,515,516,522,530,549,550,626,647,673,716,727,781,821,834,887,948,968,970,979,1022 +0415_00076 30,67,89,134,140,141,153,199,234,239,245,273,311,317,326,327,330,369,374,405,422,461,469,479,508,524,529,548,550,582,584,614,622,626,638,653,662,680,719,727,751,759,787,791,808,826,836,846,866,871,880,919,936,968,974 +0415_00077 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 +0415_00078 15,80,96,120,134,135,145,189,226,233,249,285,335,376,405,421,454,487,549,550,662,799,955,968,987 +0415_00079 61,134,220,354,405,461,481,513,722,765,830,887,948,968,969,980 +0415_00080 15,62,96,114,134,144,145,153,243,270,421,487,550,581,588,670,674,782,809,847,948,968 +0415_00081 9,20,134,144,175,191,220,265,278,300,330,347,467,481,482,487,496,508,516,549,550,560,606,626,680,682,699,727,757,763,781,798,887,915,948,968,970 +0415_00082 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20,69,101,102,103,104,134,138,144,153,158,207,227,230,249,263,265,270,360,363,372,384,404,453,461,465,476,497,508,514,516,552,570,593,606,629,657,662,684,685,702,706,746,748,802,809,850,881,915,948,968,983,984,989,994,998,1012 +0415_00115 57,62,153,240,389,492,508,626,669,692,757,778,826,835,948,954,994 +0415_00116 47,96,120,134,145,204,213,220,229,245,266,302,392,421,425,459,481,487,508,524,550,572,588,603,610,678,686,722,887,935,943,948,968,1000 +0415_00117 4,44,104,133,134,153,161,234,254,270,284,328,347,368,391,393,405,415,481,503,515,541,549,580,613,626,640,652,675,678,705,706,713,719,733,778,788,819,856,887,944,948,961,968,1000 +0415_00118 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0415_00119 3,64,96,134,141,146,148,344,350,370,405,481,487,503,506,550,575,596,615,662,677,786,797,872,887,889,968,979 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4,20,24,48,68,71,107,124,134,146,153,172,181,197,236,269,270,305,346,347,360,374,500,508,515,516,517,532,549,550,553,585,605,622,629,652,670,705,709,727,745,757,768,778,844,852,903,932,948,968,987,994,1004 +0415_00127 20,78,85,89,134,136,153,201,278,321,347,434,451,481,505,508,516,530,544,550,617,659,663,673,716,727,819,862,866,887,948,968,970,994 +0415_00128 5,15,20,30,41,58,62,66,89,111,153,160,182,201,207,250,253,266,303,339,347,357,374,382,390,440,461,501,508,516,523,524,530,562,563,585,626,641,647,666,676,677,678,686,687,717,719,727,732,739,745,776,802,804,834,875,891,906,915,936,948,959,964,974,994,1008,1015 +0415_00129 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0415_00130 20,59,96,134,138,145,158,174,297,298,322,374,421,487,508,516,550,626,727,749,897,898,968,1004 +0415_00131 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0415_00132 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0415_00133 20,53,134,147,153,203,207,250,270,281,287,297,311,317,374,450,508,516,528,550,606,621,635,636,648,689,703,727,739,789,802,806,874,897,948,968,986,998 +0415_00134 10,75,134,163,202,317,389,399,405,422,449,479,481,511,529,559,609,613,662,691,713,750,778,787,800,828,887,894,915,948,964,968,989,1015 +0415_00135 15,20,62,96,102,134,145,153,270,278,314,421,451,487,524,550,588,612,657,685,686,698,778,808,833,889,925,948,961,968,978 +0415_00136 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0415_00137 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0415_00138 3,4,44,104,112,134,151,153,228,234,254,255,269,270,281,347,368,393,403,405,470,481,503,515,541,549,550,580,613,652,675,678,705,706,709,713,719,733,738,778,819,869,887,944,948,968,1000 +0415_00139 57,347,487,508,510,549,600,948,954,994 +0415_00140 20,66,69,94,99,107,113,114,134,144,153,179,199,203,207,208,231,233,247,261,297,306,349,365,374,377,383,393,395,396,405,420,449,461,480,481,496,508,512,514,516,522,529,530,537,550,580,602,613,626,635,636,652,654,668,670,672,673,676,678,693,713,714,727,737,739,752,789,882,887,897,905,924,948,960,968,981,999 +0415_00141 15,43,73,88,89,90,96,103,111,134,145,175,177,215,252,307,319,380,405,418,421,458,487,492,524,550,592,612,665,728,773,788,825,865,931,964,968 +0415_00142 4,44,48,59,104,134,153,161,234,254,270,328,347,353,363,368,393,405,415,437,481,503,515,541,549,551,580,601,602,608,613,626,640,652,675,678,705,706,713,719,733,744,778,819,887,927,944,948,968,1000 +0415_00143 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0415_00144 25,61,80,96,129,134,145,146,154,172,189,209,210,236,246,249,280,319,335,350,405,421,487,495,506,508,515,516,532,550,569,596,603,609,614,615,626,662,667,669,706,713,797,871,955,968,987 +0415_00145 57,62,96,134,145,153,240,270,421,463,487,508,550,585,588,592,626,692,714,761,837,918,954,968 +0415_00146 26,134,199,245,273,323,416,499,506,508,524,567,662,686,728,806,866,897,948,989 +0415_00147 1,4,11,15,26,42,87,89,118,134,175,182,183,201,222,245,286,318,330,347,353,364,407,452,461,482,496,508,512,519,524,534,540,549,550,558,561,581,586,596,597,600,609,630,656,663,666,686,705,709,734,761,778,783,808,838,840,861,883,893,945,948,968,989,1014,1016 +0415_00148 45,51,52,53,134,153,181,206,207,227,235,260,265,278,283,292,347,350,368,374,390,392,504,516,522,549,550,626,647,649,728,779,787,790,800,802,812,827,943,948,949,964,968,991,1019 +0415_00149 4,15,89,146,148,210,236,237,312,473,508,516,609,626,640,754,772,788,840,870,900,922,983,1015 +0415_00150 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0415_00151 9,20,78,134,144,153,191,220,265,278,312,321,330,347,434,467,481,487,496,505,508,516,544,550,560,573,606,663,680,682,699,727,763,781,798,887,915,948,968,970,994 +0415_00152 38,62,96,134,145,153,186,224,270,410,421,466,484,487,504,507,550,588,612,704,833,941,948,968,994 +0415_00153 8,15,40,54,65,89,134,137,139,153,199,200,209,222,311,318,319,326,343,376,405,412,413,422,460,469,481,506,516,524,529,588,600,603,613,626,629,640,651,653,669,674,697,713,737,754,763,772,783,878,887,900,960,964,965,968,970,975 +0415_00154 45,51,53,93,134,143,153,178,181,206,207,227,235,260,265,270,278,281,292,326,347,390,392,408,516,550,599,626,649,666,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0415_00155 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0415_00156 1,15,35,40,89,134,144,153,159,169,170,187,194,206,207,224,227,245,251,292,326,331,346,347,370,390,408,412,423,427,442,446,467,487,498,516,540,550,559,564,624,626,649,705,708,714,779,781,800,813,836,859,936,948,968,977 +0415_00157 13,15,20,134,153,160,175,207,237,245,254,332,341,363,481,508,524,601,727,754,799,808,844,883,892,893,948,994,1022 +0415_00158 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0415_00159 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0415_00160 57,153,483,489,508,529,948,954,956,994 +0415_00161 81,96,108,116,134,141,146,148,154,162,209,234,246,272,307,335,350,364,385,393,405,487,503,506,550,569,585,596,615,662,725,786,787,797,867,872,955,968,977,987 +0415_00162 74,96,98,128,134,141,146,196,207,217,227,376,405,425,481,487,550,596,615,738,773,802,846,872,877,948,952,961,968,979,982,985 +0415_00163 33,56,93,134,154,192,220,260,399,405,429,476,485,494,508,514,515,521,542,550,574,577,606,613,646,686,731,760,802,948,968 +0415_00164 20,39,49,77,94,134,153,163,165,199,207,344,465,480,481,508,511,527,547,598,626,727,755,802,849,948 +0415_00165 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0415_00166 8,15,20,40,54,65,89,94,134,137,139,209,246,318,319,330,343,405,412,413,422,460,476,481,484,498,506,508,516,524,529,560,600,603,613,626,629,640,651,653,669,674,677,713,727,737,754,763,772,783,855,863,887,900,945,960,964,968,970,975 +0415_00167 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0415_00168 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0415_00169 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0415_00170 20,94,134,155,169,234,278,321,444,456,458,508,515,516,530,573,626,727,750,762,777,785,897,948,958,960,968,1011 +0415_00171 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0415_00172 10,96,134,146,254,257,326,336,345,405,487,524,550,563,596,612,626,677,766,796,872,928,968,1006,1008 +0415_00173 14,15,16,40,89,97,134,150,201,203,216,245,247,265,272,303,333,349,363,388,399,426,438,439,470,481,482,487,506,508,524,525,550,554,603,654,662,686,699,727,755,766,772,781,823,832,836,887,929,968,1022 +0415_00174 3,20,26,40,70,72,89,117,122,134,144,167,194,197,225,228,241,245,283,316,326,333,339,341,353,363,370,376,402,406,418,432,452,473,481,487,489,499,508,517,526,530,550,552,573,583,601,612,626,640,670,683,696,700,715,719,727,739,763,773,781,799,814,847,855,906,936,937,943,948,956,968,979,987 +0415_00175 80,96,134,138,145,167,189,205,209,249,265,335,405,421,481,487,494,506,510,550,569,606,610,615,627,629,662,667,696,699,751,781,786,797,855,887,955,968,987 +0415_00176 13,56,94,134,152,227,341,405,437,452,485,519,543,552,587,626,638,640,647,662,710,713,714,766,794,948,955,968 +0415_00177 23,38,58,62,96,130,134,145,153,175,186,224,270,410,421,439,466,484,487,504,550,588,612,802,833,850,914,946,948,949,951,968,994 +0415_00178 20,22,58,128,134,153,182,213,220,278,288,319,366,367,420,480,487,491,502,508,516,550,562,618,649,659,727,772,781,911,914,948,968,994 +0415_00179 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0415_00180 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0415_00181 15,26,105,134,144,153,162,176,207,218,222,237,259,270,309,350,417,519,550,620,626,640,647,670,676,682,687,724,731,733,757,783,788,847,855,905,925,926,929,947,948,968 +0415_00182 36,43,67,75,85,96,134,138,234,317,319,370,373,405,417,422,423,436,453,479,486,494,508,511,523,524,525,552,559,576,580,657,662,686,691,750,787,827,828,831,871,905,915,927,948,950,960,968,982,989,999,1006,1018,1021 +0415_00183 1,4,11,15,23,26,42,89,103,134,156,175,182,201,211,222,224,245,273,283,286,318,347,353,391,398,420,433,452,461,496,503,508,512,524,534,540,549,550,568,574,586,590,596,625,626,656,666,686,700,705,709,724,729,758,778,793,855,911,934,941,947,948,968,982,989,1016,1023 +0415_00184 76,96,134,159,223,245,272,487,503,506,508,542,550,582,628,632,637,654,662,714,717,727,741,763,786,792,797,835,968,981,1019 +0415_00185 15,26,29,57,68,89,90,130,134,144,153,175,180,196,220,222,237,269,322,336,423,473,487,515,520,540,550,586,587,603,626,640,653,654,670,676,687,725,747,772,781,792,834,847,855,889,929,948,968 +0415_00186 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0415_00187 16,58,134,153,154,171,209,225,270,281,410,504,550,619,700,712,779,825,833,837,849,850,874,919,946,948,968 +0415_00188 22,45,51,52,58,101,134,153,178,206,207,227,260,270,278,280,281,292,347,360,365,390,392,393,430,516,535,547,549,550,562,583,612,626,649,667,728,762,779,786,800,812,820,943,948,968,994 +0415_00189 3,4,44,64,93,134,141,153,164,245,270,274,290,328,347,405,415,437,481,487,491,506,508,515,519,542,549,551,582,615,662,680,689,705,706,744,755,778,803,824,860,887,889,948,968,987,1006 +0415_00190 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0415_00191 3,15,20,26,48,70,72,89,134,144,171,194,197,228,238,245,283,294,303,326,331,334,341,350,353,357,376,412,418,432,452,473,478,481,485,487,489,492,499,508,517,527,550,552,573,583,601,612,626,640,670,683,696,700,715,727,739,773,781,799,843,847,855,880,906,918,943,945,948,956,964,968 +0415_00192 20,68,94,96,134,166,201,253,298,299,353,456,481,498,508,515,550,626,640,658,716,727,851,887,928,955,968 +0415_00193 5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0415_00194 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0415_00195 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0415_00196 3,20,26,40,70,72,89,117,122,134,144,167,194,197,225,228,241,245,283,316,326,333,339,341,353,363,370,376,402,406,418,432,452,473,481,487,489,499,508,517,526,530,550,552,573,583,601,612,626,640,670,683,696,700,715,719,727,739,763,773,781,799,814,847,855,906,936,937,943,948,956,968,979,987 +0415_00197 20,47,96,120,134,145,164,204,213,220,229,245,278,290,378,421,459,464,487,504,508,516,524,550,572,588,603,610,672,686,727,762,777,798,875,934,943,948,960,968,1000,1002 +0415_00198 15,20,23,26,83,89,111,134,142,153,172,207,219,220,224,245,272,302,305,306,310,332,341,347,419,446,472,479,481,508,524,544,545,549,555,564,575,600,603,645,662,700,701,712,727,730,745,788,827,838,856,887,916,940,943,948,952,969,997,1020 +0415_00199 20,94,129,134,136,169,218,278,317,456,464,508,516,530,550,626,635,659,727,733,762,777,785,897,947,948,960,968 +0415_00200 15,20,25,68,89,96,110,115,134,139,146,153,154,175,176,190,217,236,237,265,270,289,305,327,353,371,374,430,446,481,490,500,508,515,516,524,525,564,609,626,640,682,694,700,727,740,756,772,778,793,863,873,884,887,938,948,955,964,968,976,994,1004 +0415_00201 20,38,52,55,72,94,107,118,134,141,147,153,161,182,207,260,267,270,281,302,347,424,481,508,550,558,616,620,626,635,640,676,697,727,733,812,871,883,947,968,989 +0415_00202 15,59,62,68,79,89,96,134,146,196,217,221,233,237,244,247,319,376,405,425,426,449,487,550,570,596,615,618,662,690,739,770,772,773,776,846,866,872,937,968,979,985,997,998,1009 +0415_00203 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0415_00204 15,26,29,41,44,66,86,90,134,153,160,175,207,222,233,237,319,352,356,380,420,487,488,515,524,540,550,559,586,591,603,626,631,640,676,686,687,714,765,781,792,889,931,948,954,960,968,994 +0415_00205 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0415_00206 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 +0415_00207 5,15,20,40,89,92,94,108,122,134,140,153,154,171,183,201,207,240,252,254,263,268,347,456,474,481,492,498,508,516,540,587,597,626,686,687,727,740,762,767,802,856,891,896,948,960,968,994,1009 +0415_00208 15,26,105,134,153,162,176,196,207,222,227,237,259,270,289,315,350,358,516,519,550,620,626,640,644,647,676,687,718,731,733,757,788,802,855,925,926,940,947,948,968,998 +0415_00209 19,36,44,65,75,89,124,134,139,153,163,192,199,207,212,265,310,311,319,326,327,330,369,374,405,422,461,486,499,524,525,559,570,580,604,609,625,626,629,638,680,697,719,783,791,857,915,919,936,948,959,960,968,974,975,1015 +0415_00210 20,29,134,230,278,309,316,381,410,487,493,508,515,516,530,550,586,626,640,672,676,727,762,777,781,785,792,948,960,968,981 +0415_00211 10,15,26,89,105,136,146,268,270,286,352,476,499,524,626,772,808,818,819,936,948 +0415_00212 15,20,94,107,134,153,160,175,195,207,237,245,254,314,332,363,508,512,524,626,727,808,844,883,892,893,948,994,1022 +0415_00213 15,20,62,67,91,153,166,283,314,524,556,585,632,647,657,685,686,725,741,755,778,808,826,861,948,961,968,994 +0415_00214 4,20,21,34,48,63,68,91,93,94,129,134,153,181,215,220,240,247,256,260,307,330,347,350,356,390,393,396,405,410,421,425,437,456,458,485,505,506,508,515,527,549,550,561,580,585,593,596,615,626,638,657,662,664,669,715,727,744,778,797,812,848,915,928,929,939,948,968 +0415_00215 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0415_00216 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0415_00217 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0415_00218 3,8,9,15,24,26,31,33,35,54,55,67,70,89,95,114,134,142,144,153,156,186,196,197,201,225,241,245,249,254,260,265,268,274,278,309,318,320,325,339,341,344,347,348,350,358,361,370,385,405,406,421,424,435,458,461,466,467,473,485,488,499,508,527,531,534,538,540,543,549,590,608,610,624,626,628,637,649,651,656,658,670,678,696,707,713,719,723,724,725,726,727,728,731,743,763,772,789,797,798,819,836,850,855,866,869,883,890,894,911,914,933,936,948,951,956,959,964,968,974,1010,1015 +0415_00219 63,73,96,120,134,183,188,405,422,476,487,494,515,536,550,577,613,625,722,760,889,935,968,1012 +0415_00220 20,32,45,96,134,138,144,196,203,259,267,275,288,300,344,347,361,394,407,408,482,487,495,496,508,516,517,540,549,550,565,578,591,596,642,646,697,727,752,761,776,810,832,843,850,856,881,913,948,968,970,999 +0415_00221 12,20,53,74,81,90,109,115,116,134,146,153,207,236,245,255,270,272,312,326,339,347,366,381,383,385,393,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,575,585,588,595,603,615,626,727,739,751,772,781,802,824,827,858,873,874,917,948,968,1011,1020 +0415_00222 15,20,26,53,62,89,94,96,102,107,115,134,145,153,175,178,207,220,231,237,264,270,275,284,296,323,342,348,356,371,397,415,421,423,461,487,508,516,524,550,588,602,626,647,673,698,707,727,764,772,777,786,802,827,851,901,935,948,959,968 +0415_00223 4,20,34,68,69,91,104,134,164,254,281,347,390,393,394,405,425,437,481,508,515,539,549,551,555,580,605,613,652,678,705,713,727,744,778,800,803,817,819,887,897,937,948,968,972,1009 +0415_00224 56,120,134,152,363,405,452,485,543,638,662,744,760,794,913,948,968 +0415_00225 20,78,96,134,139,145,153,184,278,326,366,381,393,421,472,475,487,508,516,530,550,626,659,683,699,727,898,968 +0415_00226 15,42,68,89,94,122,134,139,153,156,173,185,210,220,224,245,250,259,311,326,330,340,370,379,461,463,506,508,524,533,569,575,580,582,585,626,649,662,671,675,773,791,806,817,841,853,878,910,918,920,948,964,965,968,974,976 +0415_00227 80,96,108,134,141,145,146,148,154,189,209,246,249,319,335,350,405,421,487,503,506,550,569,596,615,662,667,786,797,867,872,955,968,987 +0415_00228 4,20,51,91,111,134,153,157,260,296,319,326,341,347,418,430,481,541,550,556,563,599,635,675,778,800,812,832,844,897,959,968,984 +0415_00229 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0415_00230 38,85,96,104,134,144,146,242,254,257,286,291,329,345,347,369,380,405,463,487,524,539,550,563,596,612,664,670,761,796,872,875,886,907,948,968,971,1001,1006 +0415_00231 1,11,14,15,24,26,29,40,60,85,89,96,118,134,166,167,168,175,195,220,222,235,237,271,292,337,419,445,473,477,492,496,501,515,524,540,550,579,589,596,618,626,640,666,676,686,687,763,772,792,818,883,903,947,948,968 +0415_00232 14,28,58,103,110,134,144,153,230,245,257,321,329,363,384,405,411,427,450,506,508,516,615,662,668,703,714,739,748,830,908,948,961,965,977,991,994 +0415_00233 22,62,85,96,134,145,153,188,270,311,421,452,487,516,550,588,606,770,831,968,981 +0415_00234 96,108,134,141,146,148,154,189,209,213,220,246,319,335,343,350,405,487,503,506,522,542,550,554,569,583,596,615,662,686,786,797,867,872,936,948,955,968 +0415_00235 20,49,56,69,74,109,125,134,144,146,147,148,153,167,207,260,309,347,355,452,474,487,508,515,520,527,541,545,550,603,647,670,678,727,732,781,802,825,852,905,911,948,954,961,968,994 +0415_00236 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0415_00237 29,90,96,134,145,203,220,235,245,249,272,335,346,360,380,405,421,487,493,506,508,516,550,582,616,630,662,710,718,824,864,925,948,968,987 +0415_00238 62,96,98,134,145,147,153,186,269,270,400,410,421,487,504,550,588,734,833,883,919,948,968 +0415_00239 2,15,16,20,66,81,101,111,116,126,134,136,148,153,161,162,174,175,220,230,241,254,259,270,272,278,281,297,307,335,354,358,367,368,373,374,385,393,405,451,453,464,467,487,495,496,508,515,516,517,524,528,530,531,550,563,580,583,585,586,594,610,613,615,627,635,657,686,697,705,725,727,735,737,797,819,824,857,861,889,897,911,922,936,948,961,968,977,987,994 +0415_00240 34,63,93,103,129,134,147,153,159,181,215,220,240,245,247,260,275,289,307,332,347,350,393,396,405,421,424,454,479,485,505,506,508,515,549,550,566,585,593,596,602,615,638,649,657,662,664,669,680,768,778,797,812,827,848,857,896,913,915,917,939,948,968,977 +0415_00241 1,4,11,15,20,26,42,84,89,97,118,134,165,170,175,182,183,201,222,223,244,268,275,286,313,318,330,347,353,407,425,449,461,496,508,510,512,524,534,540,549,550,561,596,597,642,658,663,666,686,705,709,727,734,762,778,783,798,838,848,883,886,945,948,968,970,982,989,994,1014,1016 +0415_00242 15,26,57,68,89,109,130,134,144,153,175,196,209,220,222,237,260,269,336,347,416,421,423,473,487,505,515,520,540,542,549,550,587,626,653,654,670,687,725,747,772,778,781,834,847,855,889,905,921,929,948,968,1010 +0415_00243 96,134,141,146,148,154,202,272,283,350,353,360,362,405,487,503,506,543,550,568,569,596,615,626,640,654,662,675,714,786,797,867,872,940,955,968,1000,1012 +0415_00244 15,48,57,132,134,138,156,201,245,250,259,309,354,361,385,417,425,439,453,459,461,506,508,524,539,552,605,624,626,642,657,662,663,676,680,681,688,727,748,757,776,806,850,926,968,989 +0415_00245 4,96,134,141,146,148,154,181,210,272,274,342,347,349,350,360,399,405,408,487,503,506,549,550,569,596,615,654,662,701,705,714,778,786,794,797,867,872,948,955,968,1000 +0415_00246 13,96,134,181,196,210,245,247,272,305,444,483,487,508,550,582,619,654,662,714,718,773,846,873,878,968,985 +0415_00247 15,26,44,57,68,89,109,134,153,175,196,209,220,222,237,260,269,336,347,416,421,423,445,473,487,505,507,515,516,540,542,549,550,614,626,669,687,772,778,781,802,834,855,863,889,905,906,921,948,968,998,1004,1010 +0415_00248 15,26,35,71,89,111,134,143,144,153,171,189,196,204,206,217,233,244,245,256,260,265,282,286,341,347,350,352,423,424,425,435,461,467,485,488,497,499,508,521,523,524,526,534,538,545,549,557,580,594,618,626,643,651,656,658,666,670,686,689,696,704,711,713,717,719,726,744,763,771,780,799,812,819,832,853,855,859,863,869,878,883,885,894,895,903,906,916,936,937,938,947,948,964,970,974,981,987,993,994,1005,1015 +0415_00249 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0415_00250 15,26,77,105,118,134,153,162,176,207,222,237,250,259,260,347,350,370,418,481,505,519,549,550,626,647,666,687,731,757,778,788,812,849,855,887,925,948,968,980,997 +0415_00251 15,26,48,57,68,89,109,134,138,153,175,178,196,209,220,222,237,238,260,269,274,336,347,416,421,423,448,473,487,505,507,515,540,542,549,550,626,659,672,687,772,778,781,833,834,855,874,889,905,919,921,948,968,1001,1010 +0415_00252 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0415_00253 1,67,134,136,153,205,207,225,231,243,245,266,305,316,319,377,390,405,416,422,461,483,508,524,556,576,585,603,626,632,658,661,686,715,720,748,778,802,808,825,852,858,865,916,948,955,968,969,975,982,995 +0415_00254 15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0415_00255 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0415_00256 15,20,26,34,67,89,136,146,152,153,160,272,347,370,385,452,497,499,508,524,530,556,582,639,640,662,686,706,727,748,762,778,819,844,873,902,918,948,982 +0415_00257 3,6,20,26,72,84,89,117,122,124,134,144,194,197,201,225,228,245,256,260,283,316,326,334,341,351,353,370,407,418,432,452,455,460,477,481,487,504,508,517,530,550,552,556,573,601,612,616,626,640,670,683,696,700,713,719,720,727,773,781,799,814,839,847,855,888,906,908,936,937,943,948,968,1006 +0415_00258 25,96,134,146,196,217,233,236,333,376,405,425,434,487,502,508,550,595,596,609,615,626,728,773,781,846,872,942,968,979,985,1019 +0415_00259 20,134,136,260,278,317,347,439,464,505,508,516,530,549,550,659,666,727,762,777,778,785,812,873,948,960,968,980 +0415_00260 20,96,108,117,134,141,144,146,148,154,189,209,246,285,319,335,350,405,487,503,506,550,569,583,596,615,662,670,700,737,773,778,786,797,867,872,905,936,948,955,968 +0415_00261 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0415_00262 15,20,26,67,89,107,146,153,317,336,347,370,371,385,491,497,499,508,530,556,582,640,662,727,748,759,762,778,815,819,834,844,873,918,947,948,982 +0415_00263 3,14,20,37,51,96,101,129,134,140,145,177,184,197,213,230,278,300,347,350,353,405,407,421,451,465,482,487,506,508,515,516,549,550,568,594,596,609,615,626,662,669,696,701,712,717,727,792,797,824,875,948,968,970,997,1023 +0415_00264 20,78,96,134,139,145,207,212,236,278,301,381,390,421,487,488,508,516,530,541,550,626,659,727,802,805,909,917,948,968 +0415_00265 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0415_00266 1,15,89,96,134,135,144,145,214,233,328,356,373,388,391,396,410,413,421,487,550,573,626,649,662,673,678,709,772,784,953,968,996,1009 +0415_00267 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0415_00268 20,37,51,62,129,134,140,153,172,197,230,245,255,260,278,296,300,347,350,405,407,429,430,482,506,508,515,516,549,550,565,582,596,609,615,626,662,664,669,696,717,727,772,774,794,797,800,812,875,939,948,968,970,994 +0415_00269 20,84,89,96,134,234,254,268,317,341,481,487,508,524,542,550,575,604,612,626,666,677,727,733,815,833,897,906,908,936,951,968,972,1006 +0415_00270 20,78,96,134,139,145,278,381,421,464,487,508,516,530,550,659,727,762,777,785,948,951,960,968 +0415_00271 13,20,59,96,133,134,138,141,145,153,321,333,387,406,421,423,427,487,508,530,550,575,590,727,728,761,812,819,858,968,987 +0415_00272 20,55,96,134,144,145,207,279,379,388,390,421,441,487,508,550,626,628,636,669,670,727,737,741,802,815,871,909,948,968,981 +0415_00273 13,20,52,92,126,134,139,146,153,182,206,220,236,261,265,280,288,347,367,413,418,430,455,466,480,487,508,549,550,609,626,642,670,727,781,800,818,844,854,890,898,946,948,968,982 +0415_00274 12,47,133,134,136,146,149,167,172,188,220,236,260,281,322,337,354,405,461,508,513,516,530,532,550,626,675,679,704,717,749,809,830,900,948,968,969,980,995,1021 +0415_00275 1,20,67,72,104,134,153,205,243,245,266,316,319,377,405,416,417,422,461,466,483,497,508,524,530,556,576,585,603,632,650,658,686,715,727,748,762,778,784,808,825,852,865,916,948,968,969,975,982,995 +0415_00276 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0415_00277 47,96,120,134,145,204,213,220,221,229,245,326,329,421,432,459,487,508,524,550,572,588,589,603,610,626,640,686,780,943,948,968,1000,1007 +0415_00278 15,20,40,52,57,69,73,77,79,89,93,94,100,107,114,134,137,139,143,149,153,159,172,174,175,194,202,207,245,268,270,303,317,345,350,364,369,386,390,400,405,422,435,437,440,451,456,479,488,492,493,507,508,514,516,524,541,550,554,556,577,581,593,603,620,626,640,647,651,663,670,672,676,677,686,697,711,727,729,733,739,748,761,773,774,797,816,823,848,853,863,898,906,915,917,920,947,948,949,968,972,994,1003 +0415_00279 51,53,64,76,96,109,124,134,148,153,181,206,207,227,235,247,265,272,292,328,346,347,390,392,408,424,467,487,503,506,516,542,550,597,626,649,654,662,683,702,705,708,714,741,779,781,786,790,797,800,802,813,832,912,948,968,1019 +0415_00280 134,147,260,347,505,549,550,620,626,640,647,666,676,733,778,812,947,948,968,980 +0415_00281 9,20,91,99,134,153,196,255,270,326,347,389,401,420,448,451,487,508,515,545,550,588,626,670,707,727,745,760,773,781,852,858,897,898,948,968,983,994 +0415_00282 56,120,125,134,152,174,220,404,405,449,452,513,543,555,591,638,662,702,760,768,794,932,948,960,968 +0415_00283 14,20,52,58,92,97,134,146,153,207,220,236,263,292,338,342,347,400,413,416,431,457,465,508,549,597,605,609,626,649,670,710,727,745,763,773,790,795,802,818,839,844,854,883,948,949,968,983 +0415_00284 15,20,21,26,44,54,83,89,111,134,142,153,172,207,219,220,224,245,272,305,306,310,332,341,347,457,472,479,481,508,524,542,544,545,549,555,557,564,575,600,603,619,645,662,701,710,712,727,745,778,788,827,856,916,940,943,948,952,955,956,969,997 +0415_00285 2,4,15,20,26,35,40,43,44,80,89,134,136,153,197,208,210,215,232,234,235,245,260,265,272,300,304,322,326,328,341,347,352,355,370,371,374,397,398,408,426,436,452,458,461,481,485,487,508,512,538,549,550,559,587,599,626,640,654,657,667,675,676,679,683,687,697,699,705,719,727,739,778,781,789,814,819,827,842,855,894,898,902,926,936,941,948,964,968,973,974,978,993 +0415_00286 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0415_00287 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0415_00288 20,22,25,31,45,63,68,84,96,106,114,134,138,146,148,149,153,165,171,172,187,188,192,211,212,236,249,270,280,284,302,313,342,356,366,381,382,391,412,414,423,446,447,452,462,467,468,476,487,490,498,505,508,510,515,522,525,550,552,555,557,588,600,601,609,626,635,646,649,670,699,713,737,766,781,783,790,795,805,852,873,897,905,922,948,953,960,968,989,994 +0415_00289 31,133,134,146,149,162,172,201,236,248,260,261,275,347,350,365,366,405,437,461,481,486,505,508,512,516,532,549,550,580,588,617,626,640,705,712,713,716,717,744,770,778,794,809,862,887,948,960,968 +0415_00290 25,63,96,115,134,146,162,172,173,215,236,280,406,487,508,515,518,532,550,577,595,606,609,626,713,741,787,819,921,935,968 +0415_00291 20,94,129,134,169,437,456,458,470,497,508,550,608,626,635,727,762,897,927,947,948,968 +0415_00292 144,331,508,547,613,672,802,948,977,998 +0415_00293 59,96,134,141,145,153,175,321,326,333,371,406,421,487,550,626,666,728,761,809,812,819,922,968,987 +0415_00294 32,51,62,85,96,98,109,134,145,153,186,255,259,260,270,296,332,347,400,410,421,430,487,504,550,575,588,616,718,723,754,800,829,833,883,919,948,951,968 +0415_00295 1,15,20,32,33,84,89,96,134,140,234,254,268,282,309,341,404,429,467,481,486,487,498,508,524,540,550,612,626,647,666,726,727,782,815,833,842,845,906,908,936,962,968,972,1006,1009,1019 +0415_00296 30,96,134,145,192,333,406,421,487,550,552,631,745,761,770,890,948,968,987 +0415_00297 20,59,96,105,134,138,141,145,146,153,266,321,333,370,387,406,421,423,487,508,530,550,575,682,727,728,743,761,778,812,819,925,968,987 +0415_00298 36,57,71,96,121,134,145,213,374,421,468,487,508,550,626,680,692,795,901,954,968 +0415_00299 9,15,18,67,83,96,134,153,175,187,205,223,254,260,274,326,334,405,428,450,452,482,487,524,550,553,566,606,612,626,651,658,666,682,748,778,837,865,880,908,923,968,973,989,994,1006 +0415_00300 15,26,105,134,138,153,162,168,176,178,207,222,237,238,250,259,260,347,350,465,505,519,526,549,550,626,647,666,687,710,731,757,778,788,812,819,833,855,916,919,925,936,942,948,968,980 +0415_00301 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0415_00302 26,96,129,134,145,168,209,245,269,273,306,308,353,416,421,473,487,506,508,523,540,550,620,622,626,640,644,651,662,676,705,733,809,889,899,947,968,981 +0415_00303 20,56,96,111,134,140,145,146,153,294,321,333,405,406,421,461,466,487,508,550,727,728,761,762,812,948,968,987 +0415_00304 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0415_00305 15,25,65,89,134,151,174,197,220,227,245,272,341,350,367,380,386,405,445,475,479,487,490,506,508,524,550,554,567,580,582,585,596,603,605,633,643,654,662,725,735,744,748,763,772,828,841,928,936,948,957,966,968,977 +0415_00306 15,20,26,32,45,61,84,85,89,94,165,182,184,212,251,263,281,331,393,404,433,461,466,499,505,508,523,527,538,570,597,626,669,681,702,711,727,771,779,829,848,882,904,948,966,1009 +0415_00307 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0415_00308 20,40,43,52,62,72,85,94,96,104,134,144,153,160,194,241,244,257,268,270,272,281,322,335,336,339,343,373,405,451,456,470,487,503,508,524,540,543,548,550,596,603,615,626,642,652,654,658,662,686,714,727,744,746,759,786,794,852,855,885,889,909,936,940,946,948,958,963,968,977,994,1002,1016 +0415_00309 9,20,81,94,113,134,153,169,318,335,389,401,451,454,456,487,508,512,515,545,550,619,626,670,707,727,745,773,781,852,897,898,948,968,983,994 +0415_00310 8,20,70,86,96,118,134,178,180,194,207,278,326,374,391,392,400,405,407,444,446,448,449,452,454,487,508,516,524,542,550,555,571,580,585,605,626,631,632,633,640,641,663,670,685,686,702,714,727,773,798,829,842,848,948,965,968,971,987 +0415_00311 4,20,68,96,134,181,190,278,347,408,446,467,487,508,516,546,549,550,560,623,705,727,762,777,778,840,929,948,960,968,1005,1010 +0415_00312 96,126,134,145,153,321,333,406,421,430,487,550,554,637,728,761,812,913,948,968,987,994 +0415_00313 25,33,50,53,134,193,207,257,343,347,405,407,516,520,531,549,582,613,671,778,802,848,902,916,918,948 +0415_00314 8,15,26,86,134,174,201,222,237,245,273,373,502,506,508,513,662,687,752,785,788,862,878,925,973,988,1023 +0415_00315 57,153,183,347,411,447,486,505,508,763,948,954,977,994 +0415_00316 57,96,134,145,225,374,421,468,481,487,508,550,661,848,884,901,946,954,955,968,993 +0415_00317 15,20,78,80,89,96,128,134,144,145,146,180,196,202,214,237,249,254,270,297,299,306,332,344,347,355,373,421,440,443,452,472,487,491,508,525,550,621,626,641,654,662,666,678,727,762,772,784,964,968,983 +0415_00318 12,20,133,134,136,146,149,167,172,188,220,236,260,278,281,317,337,354,405,461,464,508,513,516,530,532,550,659,665,675,717,727,749,762,777,785,809,830,900,948,960,968,969,980 +0415_00319 15,32,44,57,70,120,131,134,137,144,153,173,189,194,200,220,226,233,244,302,317,328,330,334,361,367,376,405,454,504,515,576,626,640,662,696,746,775,791,948,950,968,977,1018 +0415_00320 1,4,7,13,15,62,89,96,134,145,148,151,153,159,160,175,194,205,245,270,347,368,379,386,402,421,451,456,465,487,508,515,524,540,546,549,550,570,573,581,584,586,588,607,612,616,644,654,692,694,705,772,778,794,829,830,861,888,889,948,968,981,982,994 +0415_00321 12,28,52,57,73,74,112,134,144,146,153,176,221,222,236,240,280,336,338,344,347,381,405,430,446,476,481,486,487,494,502,515,516,530,549,550,567,575,580,616,636,640,643,679,705,709,731,757,764,766,781,782,800,824,842,850,878,888,909,947,948,960,968,976,1009 +0415_00322 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0415_00323 15,20,37,63,74,84,94,96,114,123,134,144,153,155,183,223,227,242,254,305,312,348,433,434,455,456,482,487,489,508,550,560,577,616,626,644,657,670,674,696,719,725,727,739,756,768,781,810,814,850,860,880,909,925,928,929,935,945,948,968,977 +0415_00324 19,62,96,98,134,145,153,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,718,721,755,778,826,833,853,883,919,948,968,994 +0415_00325 4,20,25,68,96,134,145,146,170,234,236,271,298,347,353,360,389,421,436,446,487,508,515,516,545,549,550,555,589,609,626,640,705,727,749,778,867,873,897,898,948,955,968,972,999,1011,1018,1019 +0415_00326 6,20,29,83,96,134,205,223,240,254,263,268,274,281,334,341,372,429,445,452,465,481,487,508,515,524,550,554,566,570,602,612,625,626,640,676,680,727,833,865,877,906,927,947,968,972,1006 +0415_00327 2,4,15,20,26,35,40,43,44,80,89,134,136,153,197,208,210,215,232,234,235,245,260,265,272,300,304,322,326,328,341,347,352,355,370,371,374,397,398,408,426,436,452,458,461,481,485,487,508,512,538,549,550,559,587,599,626,640,654,657,667,675,676,679,683,687,697,699,705,719,727,739,778,781,789,814,819,827,842,855,894,898,902,926,936,941,948,964,968,973,974,978,993 +0415_00328 15,20,26,94,153,180,222,237,243,313,435,480,508,522,524,570,593,626,685,687,727,788,826,828,925,947 +0415_00329 31,52,96,134,145,153,265,321,330,333,347,406,421,432,487,549,550,551,728,761,812,908,948,959,968,987 +0415_00330 15,20,62,67,91,153,166,200,283,314,524,556,585,632,657,662,685,686,725,741,755,778,781,808,826,861,948,961,968,994 +0415_00331 21,24,96,134,145,153,249,326,335,360,378,405,420,421,430,458,461,487,500,550,615,626,641,713,717,722,778,874,881,894,950,968,987,999 +0415_00332 5,23,67,133,134,146,149,162,172,201,219,220,236,295,332,354,387,389,405,461,481,508,514,516,532,550,577,617,681,716,717,770,772,809,861,862,887,948,968,980 +0415_00333 96,134,145,153,167,207,233,302,315,347,360,363,373,421,427,430,459,487,516,550,566,594,601,647,685,688,802,812,867,925,948,968,998 +0415_00334 20,24,31,38,62,79,96,123,134,138,145,153,182,183,186,187,218,220,224,259,270,302,367,385,387,399,410,421,466,467,480,484,487,504,550,565,588,605,612,651,779,781,833,919,948,968,982,994 +0415_00335 20,134,138,151,168,173,300,347,394,508,549,550,620,626,635,640,676,727,733,840,897,947,948,966,968,1004 +0415_00336 20,75,84,89,96,134,234,254,268,341,461,481,487,506,508,524,550,612,666,727,766,783,815,821,833,883,887,906,908,951,964,968,972,974,976,1006 +0415_00337 8,15,26,48,127,134,135,201,222,226,237,245,309,358,448,508,513,662,687,711,788,925,973,1022,1023 +0415_00338 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0415_00339 4,20,94,134,164,169,236,341,347,437,456,458,508,515,549,551,626,705,727,744,778,800,803,897,937,948,968 +0415_00340 15,33,65,111,134,153,175,195,237,251,254,326,373,383,405,463,483,514,524,532,569,613,626,635,662,666,670,717,729,740,768,785,788,844,855,922,929,931,949,954 +0415_00341 15,20,57,58,89,97,153,170,210,237,270,294,355,473,492,495,508,516,727,750,754,772,788,837,870,900,948,994,996,999 +0415_00342 20,134,136,220,278,317,343,372,464,508,516,522,530,542,550,554,659,686,727,762,777,785,948,960,968 +0415_00343 21,96,101,134,145,207,327,333,406,421,487,550,593,635,716,761,802,948,968,987,999 +0415_00344 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0415_00345 20,96,111,130,134,145,146,153,251,300,321,333,347,405,406,421,487,508,527,549,550,640,727,728,740,761,812,933,948,968,987,993 +0415_00346 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0415_00347 52,78,96,134,139,196,245,391,425,487,503,506,508,550,577,662,773,786,797,830,834,843,846,902,936,968,985,1000 +0415_00348 8,15,89,96,134,145,156,316,333,406,416,421,441,487,550,761,772,828,833,953,968,987 +0415_00349 9,15,20,62,63,89,94,96,115,134,145,147,153,160,178,190,207,223,231,237,258,270,284,296,347,408,420,421,461,475,478,487,505,508,516,518,524,544,550,551,588,596,612,619,626,647,663,664,673,677,727,729,741,752,764,771,772,776,786,802,827,851,863,902,935,948,964,968,971,981,994,1007,1009,1014 +0415_00350 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0415_00351 20,29,112,134,151,176,298,300,308,347,487,508,515,549,550,586,626,640,676,727,781,792,840,873,897,898,948,968,1004,1011,1023 +0415_00352 20,29,74,83,96,100,134,205,223,254,268,274,281,300,334,341,355,431,452,465,481,487,508,515,524,550,554,561,566,598,612,625,626,640,676,727,779,803,833,839,865,906,947,968,972,1006 +0415_00353 17,39,96,134,145,153,240,263,321,333,406,421,487,550,637,728,749,761,812,909,912,968,987,995,1009 +0415_00354 31,34,134,153,182,220,304,331,367,481,487,546,550,653,705,719,776,781,829,845,887,945,948,968,976,994 +0415_00355 15,34,59,73,89,96,132,134,141,145,153,180,237,298,321,333,406,421,461,487,489,510,550,553,562,566,604,720,728,761,782,796,812,819,853,968,987,1008,1023 +0415_00356 25,96,97,131,134,144,153,191,196,207,220,238,242,247,254,425,439,487,524,550,578,600,612,658,670,721,728,740,773,802,835,839,846,911,948,960,968,985,1006 +0415_00357 20,96,111,130,134,145,146,153,240,321,333,343,347,379,405,406,421,487,505,508,516,544,550,640,663,727,728,761,812,919,948,968,987,993,994 +0415_00358 56,84,120,134,152,220,325,405,449,513,543,598,638,649,662,794,926,948,957,968 +0415_00359 26,57,62,153,177,186,271,345,347,430,447,467,492,508,626,692,763,778,815,826,948,954,994 +0415_00360 20,72,94,96,129,134,160,169,241,272,322,335,336,405,456,474,487,508,524,540,543,548,550,603,626,635,652,654,662,714,727,746,759,794,885,897,900,936,947,963,968,1016 +0415_00361 20,96,101,134,145,153,207,310,333,347,373,379,406,408,421,487,505,508,529,544,550,593,663,669,707,727,761,802,822,863,880,948,968,987,990,994,999 +0415_00362 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0415_00363 34,43,57,96,109,134,145,260,347,421,449,487,492,508,550,575,593,626,636,685,692,868,954,956,968 +0415_00364 15,26,29,92,95,110,134,151,201,219,245,267,299,379,383,391,396,426,461,465,473,481,497,505,508,515,550,563,567,592,626,640,654,656,676,703,707,716,748,759,840,887,907,911,927,936,946,947,963,968,1001 +0415_00365 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0415_00366 4,18,20,39,52,91,97,134,141,142,144,151,153,159,170,183,207,221,226,241,255,270,280,281,304,325,341,343,345,347,360,364,368,384,390,391,430,433,439,442,481,493,508,513,515,516,549,550,554,562,565,568,569,600,608,626,695,704,705,706,709,717,727,733,738,754,764,778,800,802,816,871,888,908,917,933,944,948,968,977,985,988,989 +0415_00367 14,20,52,58,63,94,97,134,153,207,220,263,292,338,342,347,400,402,416,457,508,549,597,605,614,626,638,649,654,670,719,727,735,745,773,802,839,883,884,912,948,949,968,983 +0415_00368 20,24,94,106,107,134,144,153,164,207,221,263,270,281,350,373,378,502,508,517,550,588,611,626,647,727,744,788,802,873,898,948,968,977,1006 +0415_00369 32,45,51,90,134,144,153,161,198,206,207,214,260,292,313,326,346,347,390,434,474,550,576,626,727,728,732,779,800,812,845,863,943,948,968,977 +0415_00370 13,20,52,92,97,134,146,153,164,182,207,220,236,243,261,292,338,341,347,367,402,413,480,487,508,523,546,549,550,555,597,609,626,656,670,710,713,719,727,745,776,781,802,818,839,844,854,898,945,948,949,968,973,976,983,994 +0415_00371 15,17,49,52,95,96,134,150,182,227,277,317,461,487,503,506,550,662,712,722,748,776,786,797,809,820,950,968 +0415_00372 20,59,96,105,134,141,145,153,251,300,321,333,347,370,406,421,487,497,508,530,549,550,589,630,640,723,727,728,743,761,778,781,806,812,814,819,822,948,968,987 +0415_00373 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0415_00374 20,34,52,62,123,134,136,144,153,161,220,230,278,280,321,335,342,347,367,373,430,467,495,508,515,516,530,544,549,550,574,583,638,673,679,715,727,797,819,893,913,931,948,968,970,1017 +0415_00375 96,112,120,134,145,153,241,271,292,321,331,333,392,405,406,421,487,548,550,580,585,605,670,676,728,746,761,812,951,953,968,969,987 +0415_00376 15,20,26,34,67,89,136,146,152,153,160,251,272,300,347,370,385,452,497,499,508,524,530,549,556,582,589,639,640,662,686,706,727,748,762,778,806,814,819,844,873,902,918,948,982 +0415_00377 20,26,58,79,97,134,153,220,270,374,445,487,508,515,516,550,594,686,708,727,740,771,781,783,802,864,897,898,930,945,948,968,994,999 +0415_00378 20,29,37,68,134,156,230,253,298,330,339,353,508,515,550,555,626,640,676,713,727,867,947,955,968 +0415_00379 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0415_00380 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0415_00381 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0415_00382 15,18,63,67,80,96,134,139,153,155,178,190,207,224,231,233,316,347,360,400,408,430,434,485,487,516,550,552,577,580,616,657,705,716,725,735,739,764,773,781,782,793,802,812,935,947,948,954,957,968,970,978,979,998 +0415_00383 61,96,103,118,134,145,153,241,265,315,321,333,381,406,421,481,487,529,550,683,696,699,719,728,746,761,812,887,945,951,968,986,987 +0415_00384 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0415_00385 20,78,96,134,139,145,278,300,347,381,421,462,482,487,508,516,530,549,550,626,659,673,723,727,948,968,970,1022 +0415_00386 20,24,94,107,134,139,153,207,230,263,270,281,298,350,378,508,517,541,550,558,569,588,609,611,626,647,677,727,744,754,802,948,968,989 +0415_00387 5,20,22,29,75,94,107,115,134,207,234,263,271,350,378,384,444,508,515,517,550,577,606,626,640,647,676,727,735,802,822,849,947,948,962,966,968,1001 +0415_00388 96,123,134,162,227,245,272,487,503,506,508,516,542,546,550,654,662,698,714,741,778,786,797,827,937,968 +0415_00389 96,134,138,145,153,167,241,270,281,321,333,339,406,421,487,550,556,575,612,626,670,712,728,737,746,754,761,800,812,818,861,905,919,951,968,987,1004,1013 +0415_00390 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0415_00391 20,31,94,129,134,169,175,220,343,456,508,522,542,550,626,635,686,727,897,947,948,968 +0415_00392 11,20,37,51,62,93,129,134,140,146,153,174,197,230,261,278,293,300,347,350,363,405,407,439,482,506,508,515,516,549,550,577,596,609,615,626,662,669,696,698,702,717,727,797,818,847,875,884,915,948,968,970,975,994 +0415_00393 20,26,94,134,169,220,454,456,487,508,515,550,619,626,652,686,727,771,781,783,802,897,898,948,968,999 +0415_00394 4,5,15,20,21,33,34,56,75,89,111,117,120,123,134,135,151,164,170,175,177,196,199,201,212,245,247,254,260,269,272,278,300,310,317,331,347,350,351,352,354,378,380,393,394,401,421,437,438,442,467,469,475,505,506,508,515,517,524,549,550,551,566,626,631,652,654,662,664,666,677,686,692,705,718,719,722,727,744,747,762,778,797,800,803,804,812,833,842,897,911,937,948,957,964,968,978,1011,1022 +0415_00395 96,134,145,160,234,333,371,406,421,487,494,533,550,572,761,968,987 +0415_00396 15,20,24,39,58,75,77,83,89,94,95,110,120,134,153,180,207,216,220,231,235,251,254,260,298,299,318,319,324,340,347,390,391,441,452,464,477,480,502,508,511,512,525,540,541,577,626,680,727,762,766,767,779,783,802,814,819,821,863,899,904,915,923,928,936,937,948,953,957,964,968,979,994,1008 +0415_00397 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0415_00398 1,15,20,26,29,33,68,89,90,134,137,158,214,222,237,245,251,266,276,311,315,325,327,332,336,350,356,377,388,400,451,467,492,493,499,508,515,550,566,567,626,640,676,716,733,760,769,772,830,879,908,936,942,947,948,964,968,1008,1011,1022 +0415_00399 40,52,57,68,96,134,145,153,212,256,347,352,374,421,468,487,508,538,549,550,618,716,818,901,906,948,954,968 +0415_00400 20,37,51,96,129,134,140,145,153,197,230,278,298,300,347,350,365,369,390,405,407,410,421,453,482,487,506,508,515,516,548,549,550,555,596,609,615,626,635,662,669,696,717,727,754,797,875,897,898,927,948,968,970,1011,1017 +0415_00401 1,2,9,15,20,64,67,89,94,96,98,134,135,137,144,145,150,153,161,162,175,193,207,214,231,250,256,258,305,328,350,373,390,396,416,421,431,463,487,507,508,522,524,550,565,603,626,647,673,678,694,709,720,727,762,772,778,784,787,799,837,863,941,948,953,968,977,994,996 +0415_00402 62,96,134,145,153,241,270,321,322,333,406,421,487,550,588,665,712,728,746,754,761,812,818,951,968,987,1004 +0415_00403 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0415_00404 15,62,89,123,132,140,141,153,209,231,298,438,461,484,562,623,658,659,721,761,778,782,798,826,886,948,994,1023 +0415_00405 84,96,134,146,196,261,354,400,405,422,487,550,553,577,596,751,773,800,835,846,872,968,985 +0415_00406 20,59,68,94,96,114,117,123,134,162,211,227,245,272,456,487,490,503,506,508,511,542,550,584,626,639,648,654,662,698,714,727,741,781,786,797,826,827,828,928,939,968,1023 +0415_00407 40,57,96,134,145,153,266,374,421,468,487,489,508,538,548,550,618,830,901,948,954,964,968,994 +0415_00408 14,28,58,85,134,144,153,237,240,260,272,328,362,405,435,451,468,469,494,508,516,523,531,613,676,714,739,740,918,948,961,977,994,999,1000,1022,1024 +0415_00409 20,84,93,96,134,145,151,153,167,188,207,212,213,247,275,319,347,363,387,394,395,405,421,487,505,508,524,544,548,550,601,606,647,663,704,727,741,747,771,785,786,802,808,878,925,948,968,994 +0415_00410 20,22,96,111,130,134,144,145,146,153,296,320,321,333,347,405,406,421,487,508,550,640,684,727,728,753,761,777,812,884,948,968,977,987,993 +0415_00411 20,134,138,151,153,219,347,394,505,508,544,550,620,626,635,640,663,665,676,699,727,733,736,878,897,947,948,966,968,994 +0415_00412 20,59,96,105,134,141,145,153,157,234,307,317,321,333,347,391,406,421,430,487,508,544,550,701,723,727,728,743,761,762,774,778,812,819,822,886,948,968,987,989 +0415_00413 30,59,62,96,105,134,141,145,153,321,333,406,421,441,484,487,550,728,743,761,778,812,819,826,948,968,987,994 +0415_00414 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0415_00415 20,31,52,62,68,89,94,96,123,134,145,146,153,165,177,210,211,213,220,223,231,254,261,270,272,281,334,335,347,352,362,367,383,402,405,410,451,454,456,470,478,487,503,508,515,524,527,543,550,555,559,585,595,596,612,615,626,629,654,656,658,664,686,714,716,727,786,808,823,829,834,839,855,872,889,928,934,936,940,948,958,963,968,994,1002,1006,1012,1022 +0415_00416 36,85,117,134,144,278,349,508,550,628,670,700,712,737,773,778,825,850,897,905,948,964,968 +0415_00417 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0415_00418 3,4,9,15,20,26,31,33,35,37,49,54,55,61,67,71,89,112,113,114,120,134,141,144,145,150,153,155,156,179,186,197,201,206,207,223,230,241,245,249,254,260,265,278,285,299,309,318,320,325,339,341,344,345,347,348,350,358,371,385,405,406,420,421,435,461,466,467,473,485,488,499,508,511,527,534,536,540,549,563,568,602,608,612,626,637,640,649,651,670,678,696,698,707,719,723,724,726,727,728,762,763,780,791,797,802,819,824,830,844,850,855,869,883,885,886,890,911,936,948,964,965,968,974,982,1015 +0415_00419 62,96,114,117,134,145,153,243,248,270,404,421,487,550,556,588,626,666,670,674,677,948,968 +0415_00420 20,90,94,97,98,107,144,179,207,241,296,316,347,419,465,508,516,540,603,626,727,739,753,777,802,945,948,970,977,1016 +0415_00421 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0415_00422 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0415_00423 11,18,20,96,117,134,145,153,321,333,363,406,421,487,505,533,550,600,634,663,698,728,757,761,762,812,850,948,968,987 +0415_00424 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00425 3,4,134,164,178,198,347,408,437,487,549,550,555,705,729,744,778,781,948,968 +0415_00426 48,57,62,96,134,145,153,270,301,312,347,410,421,447,487,492,508,550,588,626,629,654,692,725,763,915,954,968 +0415_00427 15,17,54,78,89,96,126,131,134,146,196,207,210,217,233,237,360,376,405,425,473,487,509,516,550,596,615,653,754,763,772,773,788,846,870,872,900,929,968,970,979,985 +0415_00428 52,78,96,134,155,196,201,322,323,425,450,487,503,506,550,600,662,762,771,773,786,797,820,834,846,968,985 +0415_00429 38,62,96,134,145,153,186,201,224,249,270,410,421,470,487,504,550,588,612,718,778,796,826,833,879,947,948,968,994,1002 +0415_00430 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0415_00431 39,49,96,110,134,136,139,145,153,193,207,211,232,281,363,381,421,472,487,515,516,527,530,550,593,675,714,787,802,824,872,907,915,938,948,968,971,1022 +0415_00432 20,62,67,96,111,130,134,145,146,153,240,270,321,333,347,379,405,406,421,472,487,508,544,550,584,588,629,640,648,725,727,728,761,812,864,915,968,987,993 +0415_00433 44,79,93,134,138,226,242,271,304,353,417,453,474,508,515,550,626,637,640,657,697,709,792,819,937,968,989,990,1023 +0415_00434 9,19,20,38,68,92,94,96,133,134,146,149,170,172,181,196,226,232,233,236,259,353,369,392,405,442,444,448,456,461,487,496,508,515,516,528,532,550,580,585,605,626,632,640,662,670,672,717,727,733,744,748,753,776,796,809,815,842,863,879,928,968,992 +0415_00435 1,15,20,96,103,134,183,254,268,309,310,341,404,440,481,487,491,498,507,508,524,550,612,727,833,845,906,968,972,1006,1022 +0415_00436 20,22,51,89,96,117,134,144,145,160,165,187,212,250,252,261,286,298,318,352,421,422,452,487,541,543,550,626,635,670,691,696,700,701,737,773,778,812,897,898,905,923,948,953,968 +0415_00437 20,27,55,58,96,115,134,145,153,333,347,393,406,421,487,505,544,550,646,658,663,701,761,845,917,948,968,976,987,994,1010,1022 +0415_00438 5,49,59,96,134,141,145,153,207,231,321,333,406,421,487,550,551,728,741,761,802,812,819,859,895,948,968,987,992 +0415_00439 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0415_00440 3,5,15,38,96,134,146,175,196,207,217,226,227,298,310,376,381,405,425,461,487,524,532,550,596,615,728,749,753,773,776,837,845,846,872,931,968,969,979,985 +0415_00441 20,21,56,112,134,138,153,243,277,304,328,334,353,415,417,420,453,472,508,515,545,596,605,626,640,654,657,668,670,688,707,710,713,714,727,749,752,774,819,825,835,850,852,881,909,937,948,959,968,985,989,994,995 +0415_00442 20,68,96,134,145,153,226,258,275,298,328,353,414,421,487,508,516,539,550,555,563,570,580,599,626,640,727,746,897,898,908,968,972,1011,1018 +0415_00443 51,96,134,145,153,167,241,260,270,281,321,333,347,358,406,421,459,487,505,550,664,712,728,746,750,754,761,800,812,818,820,934,948,951,968,987,994,1004 +0415_00444 62,77,153,283,299,424,436,481,556,662,755,778,781,826,864,913,948,994 +0415_00445 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0415_00446 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0415_00447 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0415_00448 15,26,29,52,92,95,96,110,134,219,245,267,272,350,357,379,396,425,461,465,473,487,497,505,508,515,550,556,592,626,640,654,656,676,703,707,714,739,748,759,911,925,927,936,946,947,963,968,984,1001 +0415_00449 15,89,111,131,134,144,153,194,207,214,232,260,270,281,290,413,444,456,461,469,493,500,504,524,550,558,632,763,764,773,780,802,831,850,861,863,903,934,948,968,974,977,985,989,994,1000 +0415_00450 8,20,57,96,118,134,145,150,180,194,213,217,241,272,278,318,326,359,374,391,392,405,423,444,448,449,454,487,496,508,516,524,550,580,585,605,610,626,631,632,640,641,654,670,686,702,714,727,798,816,829,832,842,889,948,965,968 +0415_00451 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0415_00452 47,96,120,134,142,145,204,207,213,220,221,229,245,315,353,421,459,487,508,524,527,550,564,572,588,603,610,612,632,686,737,779,802,943,948,968,1000 +0415_00453 11,17,20,74,78,95,133,134,146,153,172,220,236,343,347,440,461,505,508,516,522,532,533,539,542,544,549,550,603,663,686,713,727,879,948,968,970,994 +0415_00454 4,35,62,86,146,153,156,157,236,249,281,283,298,347,430,508,556,609,626,662,755,777,778,781,826,917,948,994 +0415_00455 3,15,26,127,134,135,166,222,237,245,246,385,461,484,490,508,634,668,687,788,883,925,973,1012,1022 +0415_00456 62,141,153,438,446,484,503,533,721,761,778,798,826,948,994 +0415_00457 15,37,63,64,84,96,114,123,134,144,153,155,183,223,242,254,312,348,429,433,434,455,456,463,482,487,489,550,557,560,577,616,626,644,657,670,674,719,725,739,768,781,850,880,909,925,928,929,935,945,948,968,977 +0415_00458 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0415_00459 59,62,96,102,105,134,141,145,153,166,230,270,321,333,347,349,352,406,420,421,430,432,487,550,588,606,629,725,728,743,761,776,778,812,819,854,915,938,968,987 +0415_00460 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0415_00461 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0415_00462 12,15,73,79,84,89,96,108,129,134,145,185,187,192,217,244,245,256,257,268,272,278,282,290,332,380,422,439,442,445,461,487,498,503,504,506,508,512,515,524,540,542,550,555,616,642,652,654,662,664,677,686,714,718,721,722,726,729,741,761,764,786,792,797,842,849,910,922,943,948,950,968,973,997,1012 +0415_00463 9,29,41,75,134,220,367,388,404,515,518,542,550,626,640,650,664,676,772,892,915,941,947,948,968,1015 +0415_00464 20,34,62,134,136,144,153,161,188,220,230,278,321,335,347,367,373,378,430,467,495,496,505,508,515,516,530,544,550,574,583,632,638,673,715,727,776,797,819,867,893,913,931,948,968,970,994,1017 +0415_00465 10,13,20,52,94,97,134,153,164,182,199,207,220,243,261,292,338,347,367,455,487,508,523,546,549,550,555,597,626,638,654,670,713,719,727,745,776,781,802,811,839,884,898,945,948,949,968,976,994 +0415_00466 20,37,51,59,96,129,134,140,145,146,174,197,230,278,300,347,350,370,405,407,421,439,468,482,487,490,506,508,515,516,539,546,549,550,577,596,609,615,626,635,662,669,696,717,727,797,847,871,875,903,915,927,948,968,970,991 +0415_00467 1,7,15,26,29,32,41,67,68,89,110,134,153,158,198,211,222,245,272,274,286,288,323,369,381,401,420,430,467,486,492,499,514,515,535,550,561,607,610,620,626,640,654,671,676,682,707,715,716,723,742,756,772,823,830,835,855,897,909,916,940,947,948,968,975,1004,1014,1022 +0415_00468 1,12,20,21,26,44,52,54,57,58,64,69,83,89,96,109,111,115,127,128,131,134,135,145,153,157,161,165,207,233,248,254,260,273,292,297,300,321,339,347,356,374,393,405,420,421,446,449,458,461,467,473,481,487,488,508,516,524,529,544,550,552,555,567,575,578,589,597,611,626,633,636,677,685,686,690,715,719,727,728,732,746,759,763,791,802,818,829,835,845,863,868,883,887,896,909,922,932,936,948,954,955,968,971,982,992,994,1014 +0415_00469 76,96,117,134,144,145,154,167,177,207,231,286,350,421,484,487,532,550,601,647,670,700,737,773,778,888,905,948,966,968 +0415_00470 1,15,26,57,65,77,89,104,134,158,184,214,222,237,245,292,315,325,336,350,353,369,400,409,419,492,499,508,515,566,567,586,593,626,640,642,666,703,716,726,733,757,772,782,783,828,830,890,908,948,951,968,1013,1014,1022 +0415_00471 20,48,52,67,68,72,94,96,134,153,160,168,211,241,270,272,273,281,282,322,335,336,337,347,400,405,451,456,470,487,502,505,506,508,524,540,543,548,550,596,603,615,626,652,654,658,662,672,700,714,721,725,727,746,750,755,759,781,794,800,808,855,868,872,885,889,928,936,940,948,963,968,971,994,1012,1016 +0415_00472 11,20,36,55,66,68,74,84,90,108,134,146,147,151,153,182,197,199,221,236,258,262,270,278,281,298,300,342,347,351,405,440,461,476,490,508,515,516,531,549,550,553,606,613,634,649,683,686,721,727,749,772,778,817,822,832,834,840,850,868,873,918,948,968,970,992,1018 +0415_00473 96,134,136,139,145,281,381,421,487,516,530,550,620,626,640,676,681,733,824,862,907,915,938,947,968,971,1022 +0415_00474 2,9,10,15,20,67,81,89,94,96,131,134,144,145,146,153,162,167,175,191,207,214,250,253,256,305,310,315,347,363,377,396,421,463,486,487,507,508,510,524,530,550,563,601,603,626,635,647,679,688,694,700,706,724,727,733,763,772,778,802,837,863,897,908,948,957,968,977,989,994 +0415_00475 20,34,62,78,134,136,144,153,161,220,230,278,321,335,347,367,373,434,467,495,505,508,515,516,530,544,550,573,583,663,673,715,727,819,866,913,931,948,968,970,994,1017 +0415_00476 134,260,347,505,549,550,666,778,802,812,948,968,980 +0415_00477 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0415_00478 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0415_00479 38,45,62,126,134,135,144,153,169,178,199,270,281,283,296,326,370,391,453,481,531,550,556,626,637,662,681,755,778,781,786,794,826,931,948,968,977,994,999,1003 +0415_00480 15,75,89,134,144,191,223,237,240,399,405,516,531,580,613,615,640,653,689,714,723,739,740,772,863,900,915,917,918,948,953,961,970,977,997,1015 +0415_00481 20,24,94,107,134,207,263,297,350,378,437,462,476,483,508,517,550,588,611,622,626,635,647,727,784,802,833,897,931,948,968 +0415_00482 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0415_00483 15,20,57,62,72,89,96,134,145,153,170,210,237,238,242,270,294,311,421,473,487,492,495,508,516,550,583,588,606,727,750,754,772,788,821,870,900,912,968,981,999 +0415_00484 1,15,19,20,21,25,26,89,107,117,134,148,214,222,236,245,255,256,267,269,282,285,308,315,338,342,343,351,357,399,401,427,492,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,762,772,819,836,840,841,857,898,936,948,968,995,996,1022 +0415_00485 15,20,33,39,49,68,94,96,111,134,153,175,193,203,207,233,237,242,244,254,270,281,298,304,326,347,366,373,376,432,456,484,487,505,508,515,516,522,524,527,550,584,594,609,612,626,641,655,705,706,711,727,739,750,757,768,787,788,800,802,807,829,866,899,928,929,930,931,948,954,963,968,994,1005,1006,1014 +0415_00486 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00487 3,15,35,41,55,70,89,95,110,120,125,134,143,144,146,152,153,192,196,197,211,224,232,237,239,240,244,245,246,252,254,256,260,265,274,279,294,318,341,347,379,383,407,420,421,435,452,457,461,467,494,507,508,509,531,534,540,543,549,555,566,570,573,603,605,607,644,652,658,663,666,670,672,679,696,698,713,716,725,727,744,749,755,767,772,777,794,797,805,813,827,842,846,876,882,886,899,911,914,925,930,948,951,959,964,968,974,983,990,994 +0415_00488 10,15,26,105,136,146,222,229,237,326,352,499,524,626,778,797,911,948 +0415_00489 1,12,15,20,26,29,60,68,85,89,134,158,222,251,276,285,315,325,336,350,449,454,467,492,493,499,515,550,563,566,567,618,626,640,676,698,716,733,763,769,772,830,879,908,936,947,948,954,968,996,1008,1011,1022 +0415_00490 15,26,60,65,85,89,130,134,148,222,245,285,315,357,360,443,449,454,466,478,486,492,499,508,513,566,585,588,603,607,618,626,676,698,701,705,712,716,732,761,763,769,772,831,847,893,936,938,948,950,954,968,996,1022 +0415_00491 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0415_00492 15,62,67,89,111,153,200,260,283,290,351,461,469,524,556,588,632,662,755,763,774,778,781,826,837,850,861,878,915,948,974,994 +0415_00493 35,57,96,134,145,302,374,421,444,468,487,508,550,626,825,843,901,954,968 +0415_00494 1,15,26,77,89,104,134,149,158,214,222,237,245,260,276,292,315,325,336,347,350,369,400,421,426,470,492,493,499,505,508,515,549,550,566,567,586,666,703,716,726,733,757,769,772,778,782,783,794,812,830,857,908,948,951,968,1011,1014,1022 +0415_00495 3,15,20,26,63,77,84,89,94,96,101,128,134,153,154,155,186,210,233,245,281,295,327,329,338,347,374,406,422,487,492,499,505,508,516,523,524,550,575,577,581,589,606,616,626,648,677,705,709,725,727,739,750,767,770,773,793,800,817,826,841,843,853,866,876,896,935,947,948,951,968,994,1007 +0415_00496 20,110,134,138,151,153,219,226,292,304,347,353,383,417,453,474,481,505,508,515,544,550,626,635,640,657,663,697,714,727,736,819,878,897,937,944,948,968,989,994,1023 +0415_00497 20,85,89,134,136,153,188,220,278,321,343,347,372,378,430,496,505,508,516,522,530,542,544,550,554,574,632,638,659,673,686,727,776,797,867,893,948,968,970,994 +0415_00498 1,15,20,73,84,89,96,111,112,134,139,175,193,204,210,234,237,245,278,309,325,332,347,364,374,385,388,396,400,419,438,439,444,453,473,487,498,508,524,534,550,582,602,686,727,767,772,788,789,816,820,830,878,908,928,949,967,968,979,983,1022 +0415_00499 3,13,15,18,20,24,27,32,58,75,83,89,108,120,134,144,153,176,180,216,223,226,245,246,252,260,270,287,297,298,311,317,318,324,326,336,347,452,453,461,464,497,508,514,534,540,585,603,626,637,720,727,748,762,767,797,814,818,843,857,869,878,883,899,923,936,948,956,957,964,965,968,977,979,994,1003,1008 +0415_00500 20,36,44,51,71,94,95,123,134,169,170,176,211,245,258,272,283,353,408,412,418,456,458,480,487,508,515,550,552,626,640,650,654,661,667,683,719,727,781,799,827,853,873,897,968,1022 +0415_00501 40,57,62,96,134,145,153,270,307,374,421,463,468,487,508,538,550,557,585,588,617,618,632,761,901,905,954,968 +0415_00502 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0415_00503 57,62,153,183,245,347,430,508,525,747,763,816,948,954,973,994,1010 +0415_00504 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0415_00505 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0415_00506 4,20,62,112,134,142,151,153,207,209,225,231,243,283,332,347,399,452,470,483,508,515,549,550,556,576,635,636,658,662,683,684,687,705,709,727,738,755,778,781,790,798,800,826,833,836,897,919,948,968,994 +0415_00507 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0415_00508 7,15,21,25,26,49,60,85,88,89,99,117,134,148,214,222,236,245,255,285,288,308,315,351,357,399,454,469,492,499,508,513,547,566,603,618,626,676,698,742,763,769,772,782,816,877,898,936,948,949,954,968,996,1022 +0415_00509 20,29,37,68,96,134,145,156,230,298,330,353,421,456,487,508,515,516,550,555,626,640,676,713,727,897,898,947,955,968,972,973,1011,1018 +0415_00510 20,80,134,147,223,260,266,300,327,347,367,468,505,508,549,550,666,701,712,727,749,778,812,825,850,870,880,927,948,968,980,1013 +0415_00511 10,15,20,43,89,96,134,170,182,210,220,237,278,294,367,373,377,446,467,473,487,488,492,508,516,526,550,560,685,727,748,750,754,772,788,864,870,900,923,948,968,999 +0415_00512 15,20,21,25,26,31,62,89,102,125,127,134,150,153,197,245,255,269,284,285,290,292,303,315,326,343,384,407,408,413,443,444,450,452,461,477,492,499,508,513,517,523,529,533,547,566,574,626,629,711,712,727,731,768,772,782,790,805,813,819,829,836,839,840,852,880,898,924,926,934,936,948,964,968,974,994,995,1000,1005,1008,1014,1022,1023 +0415_00513 20,43,96,134,182,220,278,367,373,377,405,437,446,467,487,488,508,516,526,550,560,685,727,748,772,948,966,968 +0415_00514 38,96,109,134,145,147,161,256,260,267,347,421,487,511,550,575,616,620,626,640,676,733,812,871,883,947,968 +0415_00515 1,15,26,59,77,86,89,104,134,146,149,158,214,222,236,237,245,260,276,292,315,325,336,347,350,369,400,426,492,493,499,508,515,550,566,567,568,585,586,609,626,635,666,696,703,716,726,733,757,769,772,782,783,787,795,812,830,908,948,951,968,972,1011,1014,1022 +0415_00516 20,31,56,104,134,138,153,173,211,220,292,302,304,328,343,353,369,394,401,417,453,508,515,522,542,550,555,626,635,640,657,686,714,727,752,814,819,897,948,959,968,970,989,1011,1019 +0415_00517 57,62,77,153,508,527,669,757,772,778,826,847,909,948,954,956,994 +0415_00518 14,15,26,31,35,68,89,90,101,134,140,149,158,161,180,192,209,216,222,229,240,245,267,288,315,345,413,448,453,480,492,499,508,522,540,566,567,577,584,587,601,626,656,679,702,716,725,742,746,772,821,828,855,902,909,920,948,984,1009,1014,1022 +0415_00519 1,15,20,26,29,68,77,89,104,134,158,214,222,237,245,251,276,292,315,325,336,350,400,467,492,493,499,508,515,550,566,567,586,626,640,666,676,703,716,726,733,757,769,772,782,783,830,879,908,947,948,951,968,1008,1011,1014,1022 +0415_00520 20,44,60,62,96,134,145,153,186,207,225,231,270,283,292,299,300,347,399,410,421,429,438,455,487,498,504,508,549,550,556,588,592,609,662,683,727,755,778,781,790,820,826,833,836,863,919,948,968,994 +0415_00521 20,62,134,153,207,209,220,225,231,260,277,283,347,399,483,505,508,533,549,550,556,635,636,658,662,666,683,684,687,727,755,778,781,790,812,826,833,836,892,897,919,931,948,968,980,994 +0415_00522 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0415_00523 4,32,51,62,74,96,98,106,134,144,145,153,161,186,209,214,255,259,260,270,296,300,347,393,398,400,410,414,418,421,430,441,481,482,487,504,526,550,588,616,659,718,754,776,800,812,833,862,863,867,883,919,947,948,963,968,977,984 +0415_00524 7,14,15,21,25,26,49,88,89,117,134,148,214,222,236,241,245,255,288,308,315,320,343,351,357,375,399,453,492,499,508,513,547,566,603,605,626,656,664,671,718,742,772,782,816,825,855,898,948,949,968,1014,1022 +0415_00525 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 +0415_00526 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00527 57,62,96,134,145,153,270,329,361,421,463,487,508,550,585,588,761,772,831,837,954,956,968 +0415_00528 7,14,15,21,25,26,49,88,89,101,117,134,140,148,161,209,214,216,222,236,240,245,255,267,288,308,315,351,357,399,448,492,499,508,513,547,562,566,577,601,603,610,626,656,671,742,772,782,816,825,855,898,909,948,949,968,984,1009,1014,1022 +0415_00529 20,44,62,96,134,145,153,186,207,225,231,248,262,270,283,347,399,408,410,421,429,438,455,487,498,500,504,505,508,544,550,556,588,609,662,663,683,727,755,778,781,790,820,826,833,836,863,907,919,948,968,994 +0415_00530 1,20,31,68,77,90,96,128,134,181,193,211,230,253,260,277,283,298,300,339,347,353,421,487,505,508,515,549,550,555,626,640,675,727,778,812,867,948,955,968,971 +0415_00531 19,20,26,29,32,35,40,42,43,51,55,82,89,112,119,125,131,134,135,143,162,186,197,215,220,225,233,243,245,254,258,260,268,275,276,277,298,314,318,328,330,347,368,391,397,405,452,461,467,485,499,502,505,506,508,513,524,534,535,542,545,549,552,562,570,571,575,580,582,586,589,590,596,598,603,607,612,615,624,625,626,629,633,640,649,657,662,677,683,684,700,706,710,719,727,736,738,740,756,762,768,780,810,814,822,826,828,842,846,877,884,886,899,909,934,935,936,945,948,963,965,968,969,971,979,982,983,998,1016 +0415_00532 2,15,20,41,58,89,97,153,207,233,260,270,281,317,347,433,458,474,508,510,516,525,582,640,686,727,728,737,772,802,821,832,836,922,938,948,964,993,994 +0415_00533 20,22,38,63,94,96,107,109,134,145,146,161,167,207,256,260,263,274,331,347,378,421,452,487,508,511,515,517,550,575,626,647,649,727,781,802,807,833,871,892,948,962,968 +0415_00534 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 +0415_00535 62,67,69,134,142,153,178,183,189,200,245,254,283,313,342,388,452,508,524,556,632,638,662,707,755,773,778,781,826,848,884,948,968,994 +0415_00536 9,20,49,90,97,98,134,207,220,241,300,330,343,347,350,354,469,490,497,502,508,516,522,540,542,550,559,580,593,596,647,656,686,715,727,739,802,850,909,917,922,948,962,968,970 +0415_00537 19,23,32,51,62,85,96,109,134,145,153,170,260,283,296,347,365,371,400,421,430,457,487,516,526,550,556,575,662,718,723,754,755,778,781,800,826,829,833,919,948,951,968,994 +0415_00538 13,15,26,65,86,89,124,130,134,148,150,153,161,180,209,222,240,244,245,267,283,288,306,315,357,359,360,442,443,464,466,486,492,508,513,559,566,577,585,588,603,626,701,705,712,716,761,762,772,831,847,855,893,904,909,938,948,950,968,994,1009,1022 +0415_00539 4,14,20,31,38,47,57,61,96,117,128,132,133,134,144,146,149,153,172,181,214,222,236,259,282,296,321,322,326,334,335,347,366,405,408,424,430,438,461,487,493,504,508,512,516,519,532,534,549,550,580,585,595,597,605,613,626,640,661,666,705,716,717,738,744,778,780,800,809,831,863,867,875,891,906,923,948,960,968,976,977 +0415_00540 75,96,107,134,146,186,196,217,376,405,425,444,487,489,550,558,596,615,666,739,773,846,872,915,923,948,968,979,985,1015 +0415_00541 45,96,101,134,145,259,282,287,333,351,374,406,421,429,468,487,516,550,620,627,739,761,901,915,928,930,954,965,968,987,1018 +0415_00542 4,14,32,62,74,96,98,99,115,134,144,145,153,182,186,201,220,255,259,260,270,296,347,363,367,381,398,400,410,414,421,430,441,465,482,487,502,504,515,550,582,588,616,633,659,674,704,718,754,776,791,800,812,833,867,883,919,925,947,948,963,968,977,984 +0415_00543 20,53,73,89,105,130,134,138,151,153,168,206,220,236,242,254,255,300,347,380,391,417,432,433,453,455,487,505,506,508,515,526,544,549,550,587,590,637,657,662,663,708,709,718,726,727,746,748,749,781,840,858,878,931,948,968,989,994 +0415_00544 6,49,144,153,183,207,216,373,420,462,472,616,626,633,757,802,816,909,948,977 +0415_00545 90,93,96,134,146,153,186,196,217,372,376,380,382,405,420,425,441,444,487,489,550,564,596,615,623,666,753,773,774,802,818,835,840,846,850,872,909,915,968,979,985 +0415_00546 26,49,63,96,100,134,185,194,209,220,251,272,445,487,499,503,511,545,550,559,602,612,649,654,662,714,762,777,786,797,948,957,968,993 +0415_00547 14,15,20,26,47,56,88,89,134,148,158,186,214,222,245,260,272,280,285,288,300,308,326,357,360,363,399,475,492,499,508,513,559,566,567,568,626,630,647,656,699,727,762,772,776,782,788,825,830,848,855,898,916,928,938,942,948,964,968,982,1014,1022 +0415_00548 15,20,63,67,80,89,96,102,134,153,155,174,185,189,207,224,233,347,365,408,440,441,487,508,545,550,577,616,657,658,670,699,705,707,716,725,727,739,764,781,802,852,935,947,948,951,968,979,994 +0415_00549 13,15,44,68,73,89,92,93,95,96,134,145,150,159,245,272,282,296,348,362,380,416,421,461,477,487,508,534,540,550,555,575,592,654,657,689,714,763,807,903,968 +0415_00550 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0415_00551 20,26,39,62,70,87,90,91,96,97,112,114,128,134,137,144,145,153,204,206,207,220,223,230,241,270,310,316,322,338,346,347,355,372,382,386,387,389,390,395,400,405,421,430,469,487,497,505,508,510,516,540,543,544,550,558,559,577,588,598,599,615,626,649,656,670,704,710,725,727,731,733,739,747,751,759,772,773,779,798,800,802,812,873,883,917,923,943,948,953,968,970,983,989,1011,1023 +0415_00552 20,68,90,128,134,193,230,253,260,277,298,339,347,353,421,505,508,515,549,550,555,626,640,727,778,812,867,948,955,968,971 +0415_00553 4,32,62,74,96,98,99,134,145,153,157,186,255,259,266,270,283,347,400,410,414,421,430,487,504,550,556,588,603,606,616,659,662,718,754,755,776,778,781,826,833,883,919,948,968,994 +0415_00554 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00555 57,96,109,134,145,189,207,260,270,328,347,361,421,422,449,487,502,508,550,571,575,621,636,651,685,699,802,948,954,968,994 +0415_00556 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0415_00557 1,20,30,31,45,68,96,128,134,151,153,159,165,181,207,211,231,254,283,292,347,353,390,427,476,487,508,544,550,567,589,626,640,661,671,675,705,720,727,784,802,807,938,948,968,994,1006 +0415_00558 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0415_00559 15,20,62,67,91,153,166,200,224,283,389,449,485,495,515,524,556,617,623,630,631,632,657,662,707,723,740,755,778,781,826,907,948,968,994 +0415_00560 1,20,31,68,77,96,134,145,181,211,230,283,298,353,390,421,456,487,508,516,550,555,626,640,675,727,897,898,968,972,1011,1018 +0415_00561 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0415_00562 20,52,96,105,134,145,153,158,174,182,183,223,231,232,236,259,278,300,347,366,370,396,414,421,429,467,468,474,482,487,490,506,508,515,516,539,541,549,550,577,635,651,713,717,727,758,760,763,770,780,788,845,853,871,892,903,915,927,948,968,970,986,991,1000,1013 +0415_00563 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0415_00564 10,13,52,78,96,134,196,220,336,425,487,499,503,506,516,550,662,708,773,786,797,834,846,968,985 +0415_00565 1,8,20,31,55,68,96,101,129,134,153,211,219,220,259,260,287,297,315,334,335,336,347,359,367,368,479,482,487,508,515,516,517,542,549,550,570,600,621,637,641,670,686,694,696,705,710,719,725,727,767,779,800,802,857,889,945,948,955,968,993,998 +0415_00566 1,12,15,26,55,60,62,89,96,129,134,145,149,153,158,222,254,260,270,275,276,285,299,315,325,336,347,350,369,390,395,421,426,487,492,493,499,515,540,550,562,566,567,573,580,582,588,625,626,629,641,716,725,730,733,769,772,793,799,800,812,830,836,849,860,873,883,908,915,936,948,958,964,968,1011,1022 +0415_00567 20,68,90,96,128,134,145,193,230,260,277,298,347,353,421,456,487,505,508,515,516,549,550,555,626,640,727,778,812,897,898,948,955,968,971,972,973,1011,1018 +0415_00568 20,26,44,62,96,113,134,136,145,153,157,186,207,225,231,270,283,343,347,391,399,410,421,429,430,438,455,487,498,500,504,508,544,550,556,588,609,662,683,727,755,778,781,790,820,826,833,836,860,863,907,919,948,968,990,994 +0415_00569 20,96,134,140,145,153,298,347,367,404,411,414,420,421,444,483,484,487,498,505,508,521,544,550,564,596,660,663,727,835,856,897,898,909,927,948,968,993,994 +0415_00570 7,20,94,96,134,140,145,261,298,411,420,421,483,484,487,508,550,585,596,626,660,719,727,798,835,897,898,909,927,968,993 +0415_00571 14,15,20,26,47,56,88,89,134,148,174,186,211,212,214,222,245,260,272,288,300,308,347,357,360,380,399,492,499,508,513,518,559,566,567,568,619,630,651,656,699,724,727,746,762,764,772,778,782,788,825,830,848,886,898,916,928,938,942,945,948,964,968,1014,1022 +0415_00572 43,93,96,134,146,153,186,196,217,372,376,405,425,441,444,487,489,550,596,615,666,695,704,773,774,846,872,915,937,948,968,979,985,994 +0415_00573 1,7,15,20,21,25,26,49,60,88,89,99,117,134,148,214,222,236,245,255,282,285,288,308,314,315,338,342,351,357,399,423,492,499,508,513,547,566,603,615,618,633,698,727,742,744,762,772,782,816,843,857,877,898,948,949,968,1022 +0415_00574 20,30,96,134,140,145,153,165,207,231,254,292,298,347,353,367,390,411,414,420,421,427,444,476,483,484,487,508,521,544,550,564,567,589,596,626,660,661,694,720,727,802,835,897,898,909,927,938,948,963,968,993,994 +0415_00575 15,96,134,146,159,173,175,186,196,217,218,227,265,286,298,310,336,356,370,376,381,405,425,444,461,487,489,507,524,550,595,596,615,623,666,760,773,793,837,846,872,911,915,968,979,982,985,998 +0415_00576 8,36,134,138,144,179,214,226,278,304,343,353,417,434,453,474,508,515,518,550,576,626,640,657,697,732,815,819,863,937,948,968,977,989 +0415_00577 56,79,134,138,144,242,244,304,308,328,357,361,417,426,453,504,508,515,580,626,637,640,657,688,713,791,799,819,851,948,968,977,987,989 +0415_00578 57,62,153,183,271,345,347,430,492,508,525,763,778,789,815,826,948,954,973,994 +0415_00579 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00580 49,57,92,153,183,207,247,273,292,347,508,623,664,717,763,802,948,954,994 +0415_00581 52,57,96,109,134,145,260,270,347,421,449,487,508,550,575,616,636,685,699,766,954,968,994 +0415_00582 20,57,96,101,134,140,145,184,192,220,225,367,374,377,386,421,468,487,508,511,515,550,576,613,649,659,686,727,814,865,875,901,948,954,968,994,1019 +0415_00583 15,20,62,89,96,114,134,145,146,153,166,170,210,234,237,243,270,287,421,470,472,473,487,492,508,516,550,587,588,670,674,707,727,750,754,772,776,788,870,895,900,968,1011,1017 +0415_00584 116,134,138,153,180,199,242,256,260,347,364,385,411,417,429,442,449,453,505,508,550,564,636,637,657,687,763,771,792,808,812,820,942,948,954,968,989,994 +0415_00585 73,89,96,134,145,158,245,272,380,421,487,488,498,508,532,550,573,592,602,654,714,726,754,756,924,946,968 +0415_00586 37,57,71,144,153,207,216,248,251,348,473,508,532,565,626,692,718,773,802,834,895,948,954,977,979 +0415_00587 91,96,134,145,168,256,259,374,421,468,487,550,820,901,923,932,954,968 +0415_00588 9,46,134,153,201,207,220,230,247,256,260,271,347,405,407,411,429,442,449,505,515,518,564,586,613,616,646,686,707,725,750,763,779,802,808,820,932,948,954,968,988,994 +0415_00589 15,83,134,159,195,245,298,335,461,508,521,534,550,603,656,735,936,946,968,973,1012 +0415_00590 1,14,15,26,51,89,101,134,140,149,158,161,209,216,222,240,260,267,276,288,315,325,336,347,350,369,421,426,448,453,470,492,493,499,505,515,522,549,550,566,567,577,601,626,656,716,733,769,772,778,794,812,830,850,855,857,908,909,948,968,984,1009,1011,1014,1022 +0415_00591 96,110,134,136,139,145,281,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0415_00592 15,20,44,47,112,134,144,151,153,175,219,262,296,311,343,347,355,361,383,390,479,487,488,503,505,508,515,524,534,544,550,566,575,626,663,727,736,753,777,781,792,842,846,858,878,897,898,931,943,948,968,977,994,998,1023 +0415_00593 57,62,153,183,198,217,309,345,346,347,430,508,525,605,606,640,754,763,776,778,826,867,948,954,973,994,1000 +0415_00594 10,39,63,89,96,134,183,245,272,323,353,405,476,481,487,494,498,508,515,536,550,561,572,573,577,602,606,613,625,626,640,654,675,714,716,726,760,860,889,924,935,968,990,995,1012 +0415_00595 15,19,20,26,35,44,89,131,134,140,143,153,175,194,220,225,240,245,252,255,347,370,373,401,414,415,425,448,456,469,478,499,500,508,531,534,540,555,582,663,689,727,734,749,762,771,850,908,909,918,948,1009 +0415_00596 62,141,153,283,376,386,438,446,484,503,533,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00597 4,35,62,86,146,153,156,157,236,249,281,283,298,347,430,508,556,609,626,662,755,777,778,781,826,917,948,994 +0415_00598 20,57,62,84,96,138,142,153,183,207,267,280,283,292,308,320,347,370,390,429,430,465,497,508,530,540,542,544,556,600,625,626,640,662,700,718,727,734,748,755,763,778,779,781,826,831,833,877,911,918,919,921,932,948,954,955,987,994,1019 +0415_00599 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00600 86,124,134,156,208,220,223,226,283,297,310,343,353,357,405,426,427,452,485,515,524,542,550,618,626,638,640,654,665,686,744,768,792,802,913,948,968,1006 +0415_00601 20,48,57,62,84,94,124,138,153,167,171,207,248,267,283,292,306,308,320,347,348,358,370,429,430,480,497,508,530,540,542,544,556,565,600,625,626,640,648,662,663,698,700,718,727,734,746,747,748,752,755,763,778,781,826,833,857,863,877,911,915,918,919,921,932,948,954,976,994,1019 +0415_00602 17,20,42,60,96,104,134,153,180,181,278,347,408,446,454,457,467,487,505,508,516,550,560,591,637,696,705,719,727,750,753,766,776,800,878,883,905,929,945,948,962,968,976,988,994,1005,1019 +0415_00603 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 +0415_00604 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0415_00605 19,20,37,63,74,96,115,134,144,148,163,214,215,220,260,266,343,344,347,379,436,455,487,515,518,520,530,550,570,577,597,606,628,670,686,708,737,747,771,781,787,802,806,812,820,833,884,921,926,935,948,968,999 +0415_00606 57,96,99,109,134,145,181,207,247,260,269,270,316,326,347,381,408,421,432,449,487,508,550,575,616,636,671,685,699,702,705,766,779,802,834,900,948,954,955,968,994,1014 +0415_00607 13,42,52,57,96,109,134,145,260,270,347,421,449,485,487,508,515,525,550,575,592,616,636,685,699,758,766,781,950,954,968,994 +0415_00608 52,57,119,134,220,249,260,343,347,449,508,522,542,550,616,636,686,699,766,812,903,948,954,968,994 +0415_00609 4,20,23,54,62,134,151,153,157,211,219,283,328,347,353,389,391,396,430,442,508,515,544,556,592,626,640,648,662,674,727,752,755,778,781,826,860,879,897,948,968,994,1011 +0415_00610 62,141,153,283,376,386,438,446,484,503,533,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00611 15,20,26,35,44,58,78,89,130,131,134,140,143,152,153,175,194,220,225,245,252,255,273,347,357,370,373,401,415,445,456,469,478,499,500,508,531,534,540,582,636,663,689,727,734,762,771,774,850,908,946,948,962 +0415_00612 15,20,34,42,43,44,55,62,80,89,91,93,134,146,153,160,186,189,192,195,207,245,259,274,323,347,360,418,496,497,505,508,530,540,546,582,594,597,626,640,707,708,758,776,802,816,834,874,903,915,916,925,940,948,968,994,1002 +0415_00613 15,20,25,26,35,55,62,69,89,93,108,120,134,136,153,163,164,176,179,184,194,198,207,219,220,230,236,238,245,250,254,255,260,263,265,266,268,273,274,281,285,294,297,301,305,313,318,326,327,341,347,353,355,357,368,376,382,391,416,425,438,461,467,473,474,477,485,492,503,508,516,521,534,548,549,552,562,563,569,574,583,601,604,626,631,646,651,655,673,682,697,704,709,726,727,732,751,756,761,762,767,782,786,789,795,802,813,819,825,829,830,834,837,840,848,855,869,883,884,885,887,897,906,916,917,918,924,933,934,936,945,947,948,960,964,968,973,974,978,979,984,994 +0415_00614 58,95,134,138,153,159,193,207,220,254,262,304,305,330,367,392,417,453,502,508,515,516,536,564,617,621,636,644,657,738,790,819,848,937,948,953,968,989,994,995,1014,1023 +0415_00615 62,141,153,283,376,386,446,503,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00616 57,62,89,96,109,134,145,153,159,165,207,217,231,247,254,260,270,291,292,347,421,449,487,505,508,550,575,589,602,636,685,699,763,778,826,866,948,950,954,968,977,994,1008,1017 +0415_00617 62,141,153,283,376,386,446,503,556,662,721,723,755,761,778,781,798,823,826,876,948,994 +0415_00618 7,57,96,109,134,145,181,207,247,260,269,270,316,326,347,381,408,421,432,449,487,508,550,575,616,636,671,685,699,702,705,766,779,802,834,900,948,954,955,968,994,1014 +0415_00619 15,20,23,26,58,60,68,82,94,115,122,128,129,134,136,169,194,210,220,222,228,230,367,408,422,437,456,473,484,499,508,515,550,610,626,635,639,646,681,727,826,863,874,897,947,948,968,1008 +0415_00620 20,62,96,134,140,145,153,165,207,231,254,292,298,347,367,411,414,420,421,444,483,484,487,508,521,544,550,564,567,589,596,652,660,694,727,778,826,835,866,897,898,909,927,948,963,968,977,993,994,1008,1017 +0415_00621 52,57,80,90,96,109,134,144,145,198,214,249,260,270,346,347,421,434,449,487,508,550,575,616,636,685,699,727,732,766,812,863,948,954,968,977,994 +0415_00622 20,31,62,68,96,134,151,153,157,211,242,283,312,343,347,391,430,487,508,544,550,556,674,727,755,778,826,855,860,879,889,948,949,968,994,1006 +0415_00623 52,57,115,134,207,249,260,347,350,449,508,550,616,636,647,699,766,779,802,812,843,865,870,912,948,954,968,994 +0415_00624 4,20,47,62,68,91,96,128,134,145,153,157,193,230,260,283,296,298,326,347,353,421,430,456,487,508,515,516,550,555,556,582,626,627,640,662,727,755,778,781,800,812,826,866,876,897,898,948,955,968,972,973,984,994,1011,1018 +0415_00625 86,123,134,144,153,154,156,214,223,226,283,297,310,353,362,393,405,426,427,452,481,482,485,515,524,550,612,618,626,638,640,665,718,744,768,775,776,792,863,869,913,948,958,963,968,976,977,984,1006 +0415_00626 15,20,26,32,61,65,74,89,94,103,107,139,153,178,197,205,207,211,222,228,244,250,260,262,263,275,283,305,308,313,322,326,344,345,347,396,397,400,406,413,414,417,418,444,448,450,456,461,465,478,488,499,500,508,511,514,517,534,549,553,559,572,592,617,626,644,648,672,692,727,772,774,775,780,781,783,800,802,805,807,811,819,829,833,836,839,848,855,874,879,907,911,936,937,948,951,956,959,964,974,979,981,994,1000,1003,1005,1009 +0415_00627 3,15,17,20,26,32,58,61,66,74,79,85,89,94,99,103,107,119,120,139,153,165,191,192,197,207,214,218,222,227,228,250,254,260,263,270,283,295,305,308,313,322,326,347,383,414,420,432,433,444,461,465,471,478,488,499,508,514,517,520,523,536,538,549,553,573,577,584,592,626,634,639,644,658,663,697,722,727,734,764,768,771,772,781,782,783,790,802,807,811,819,829,833,843,848,855,898,948,951,964,974,979,981,987,991,995,1002,1005,1008,1009 +0415_00628 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 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+0415_00659 19,38,62,153,170,283,443,556,594,610,662,718,755,778,781,826,833,879,948,978,994 +0415_00660 15,62,67,134,153,166,172,175,200,230,237,245,269,283,332,363,508,524,556,632,662,755,778,781,799,826,893,895,948,951,957,994,1022 +0415_00661 19,38,62,153,283,470,594,610,632,718,749,778,779,826,833,879,948,978,994,1002 +0415_00662 96,105,134,145,214,421,439,487,508,550,574,582,613,650,669,705,802,901,968 +0415_00663 45,59,96,105,134,138,141,145,146,153,236,271,321,333,339,406,421,487,508,550,707,715,723,728,743,761,778,812,819,822,895,960,968,987 +0415_00664 20,59,96,105,134,138,141,145,146,153,321,333,387,398,405,406,421,423,487,497,508,530,550,575,630,723,727,728,743,761,778,812,819,822,968,987 +0415_00665 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0415_00666 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0415_00667 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 diff --git a/processed_data/0415/0415_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0415/0415_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..784a1207c --- /dev/null +++ b/processed_data/0415/0415_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,668 @@ +id bits.on +0415_00001 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 +0415_00002 62,77,153,283,299,424,436,481,556,662,755,778,781,826,864,913,948,994 +0415_00003 20,51,134,136,153,260,278,317,347,358,459,464,505,508,516,530,550,595,659,727,750,762,777,785,800,812,873,934,948,960,968,994 +0415_00004 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0415_00005 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0415_00006 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0415_00007 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0415_00008 4,20,47,94,133,134,169,236,284,328,347,456,458,508,515,549,626,640,705,727,778,800,822,856,897,948,968 +0415_00009 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0415_00010 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0415_00011 20,96,134,145,153,180,298,369,421,487,508,516,550,555,727,897,898,968,1011 +0415_00012 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0415_00013 20,94,96,134,145,169,298,421,456,487,508,523,550,626,727,897,898,947,968 +0415_00014 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0415_00015 20,94,112,144,153,266,298,305,373,434,480,508,626,727,767,778,915,993 +0415_00016 20,94,153,480,497,508,530,626,684,727,752,778,803,976 +0415_00017 97,98,110,134,206,218,223,245,289,343,486,506,508,524,582,583,657,658,662,727,946,960,981,984 +0415_00018 9,15,17,96,134,145,200,223,243,245,249,335,353,421,438,446,461,487,508,513,515,529,536,550,554,570,573,619,626,640,661,676,683,736,748,750,759,766,812,827,899,935,947,968,978,987,997 +0415_00019 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0415_00020 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0415_00021 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0415_00022 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 +0415_00023 98,134,188,206,223,240,245,249,317,405,422,479,506,508,517,532,580,582,654,662,727,778,787,884,950,968,981,984,1012 +0415_00024 64,134,219,359,405,481,488,578,628,662,709,887,968 +0415_00025 9,15,18,35,45,67,79,92,146,153,175,227,236,298,310,381,461,498,508,524,586,601,609,626,775,778,837,893,980,994 +0415_00026 146,236,481,508,609,626,636,874 +0415_00027 15,20,153,314,408,524,567,657,685,686,778,808,863,872,948,961,968,994 +0415_00028 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0415_00029 54,57,67,77,89,132,134,137,139,153,163,168,244,245,256,266,302,317,319,347,369,374,405,412,422,436,461,479,486,508,524,544,555,582,588,614,626,631,638,662,680,692,693,699,704,719,720,743,763,783,785,787,791,796,797,831,836,866,919,936,954,963,968,974 +0415_00030 19,20,38,44,56,65,71,89,116,117,123,124,125,131,132,134,138,139,147,153,163,172,192,193,235,243,256,319,325,341,347,349,357,361,369,374,385,392,396,405,412,422,432,435,436,438,444,461,464,480,481,486,487,508,524,525,543,550,555,558,566,580,599,612,625,626,627,629,631,638,678,680,689,690,699,719,725,727,728,734,755,761,783,784,785,791,806,810,839,843,857,871,881,887,897,898,899,904,918,919,936,959,960,963,968,974,975 +0415_00031 15,44,102,134,151,152,153,182,195,220,234,264,326,328,387,393,405,420,475,580,596,605,626,640,708,719,746,920,948,968 +0415_00032 2,19,65,67,113,124,132,134,138,153,172,246,317,319,330,347,349,354,361,376,391,394,405,422,430,436,445,451,481,486,524,554,558,580,590,626,629,676,678,690,706,716,728,755,758,761,776,852,887,960,968,975 +0415_00033 41,134,201,213,220,265,299,316,322,335,367,481,499,515,547,550,716,887,922,948,968 +0415_00034 2,15,26,43,67,89,105,136,153,286,326,364,499,524,537,626,666,772,818,819,832,922,936,948,973 +0415_00035 15,19,54,56,57,65,89,122,134,139,153,161,172,266,318,319,347,349,361,405,422,436,445,446,452,461,481,486,508,524,525,555,558,566,580,584,588,625,626,629,678,690,692,693,728,743,755,760,763,783,784,791,836,850,887,920,930,936,954,960,964,968,974,975,1019 +0415_00036 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0415_00037 64,67,129,132,134,153,163,168,171,175,207,216,233,242,245,309,317,319,321,326,337,347,392,405,422,481,506,508,510,524,554,570,575,576,582,601,615,618,626,631,662,737,790,801,860,868,887,889,927,940,968 +0415_00038 7,14,28,58,64,103,110,134,153,245,257,276,321,363,373,405,411,481,506,508,516,611,615,662,668,738,887,889,948,965,992,994 +0415_00039 115,134,138,196,228,245,317,339,405,422,479,481,496,508,509,512,517,524,585,603,615,662,686,755,768,787,805,887,890,893,923,948,954,968,984,992 +0415_00040 63,134,175,317,319,405,420,422,479,484,509,512,517,524,576,625,662,674,675,686,755,767,787,880,923,924,948,968,977,982,984,1013 +0415_00041 96,117,132,134,223,231,245,307,319,323,337,405,422,506,508,524,576,582,585,631,662,686,696,727,806,828,867,897,948,963,968,981,982,1007 +0415_00042 64,67,129,132,134,163,168,217,245,309,319,337,405,422,441,481,506,508,524,576,582,584,589,600,615,631,662,686,850,860,868,887,889,948,968,982,991 +0415_00043 15,20,42,79,89,94,122,134,139,162,167,193,245,250,405,452,460,461,465,481,508,523,524,539,560,596,615,626,657,677,716,727,758,765,773,776,789,833,853,869,870,878,887,928,952,968,974,1004 +0415_00044 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0415_00045 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0415_00046 15,20,134,153,172,175,237,245,269,332,341,347,363,440,481,508,524,727,739,740,878,893,951,953,1022 +0415_00047 52,64,89,134,188,317,405,422,461,479,481,506,517,523,532,560,567,587,615,618,662,741,771,778,784,787,820,887,889,950,968,984 +0415_00048 29,122,127,134,151,153,167,192,207,211,227,297,390,474,487,515,516,527,550,586,626,640,647,676,696,781,787,792,802,814,940,948,968,998 +0415_00049 2,19,25,29,65,103,112,124,131,132,134,138,153,170,172,207,228,233,317,319,330,347,349,361,376,405,417,422,436,445,474,481,486,524,554,555,558,580,598,626,629,673,678,690,728,744,755,761,802,835,852,887,948,960,968,975 +0415_00050 15,26,39,134,204,245,432,499,508,662,679,690,735,759,815,911,947,948,973 +0415_00051 96,115,134,143,145,386,421,487,550,660,721,833,919,933,948,968 +0415_00052 12,51,110,124,134,195,219,223,245,264,343,405,506,508,529,566,582,583,622,628,662,711,727,803,836,846,898,968,981 +0415_00053 20,64,67,79,94,129,132,134,153,163,168,175,182,245,309,317,319,337,347,392,405,422,480,481,506,508,524,554,570,575,582,601,615,626,631,662,665,706,727,737,776,801,823,830,860,868,887,889,909,940,954,968,999 +0415_00054 14,20,29,102,114,134,137,138,144,153,158,170,207,238,262,270,272,286,292,353,360,373,404,451,453,461,465,497,508,516,552,570,581,582,621,629,650,657,670,685,706,707,713,748,769,837,847,850,867,881,930,948,968,980,983,989,998,1012 +0415_00055 96,132,134,138,145,315,333,349,368,386,406,421,487,550,626,761,862,968,987 +0415_00056 15,42,79,89,122,134,139,153,170,245,311,321,325,326,405,452,460,461,465,481,508,523,524,557,560,575,596,615,626,657,716,758,765,773,774,776,789,833,870,887,923,928,952,968,974,1004 +0415_00057 33,37,64,84,89,134,150,153,233,296,308,317,319,322,326,336,347,362,392,405,422,430,448,451,467,481,482,506,509,524,554,564,626,635,662,665,666,686,694,696,750,776,887,900,911,918,919,936,968,1007 +0415_00058 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0415_00059 88,134,219,239,245,249,288,317,405,422,479,507,508,529,582,591,622,628,662,778,787,803,836,866,871,917,950,968,975 +0415_00060 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0415_00061 6,20,45,51,53,112,134,142,153,181,206,207,227,235,260,265,278,292,341,347,350,390,392,394,481,504,508,516,523,550,601,626,647,649,727,728,779,790,800,802,812,943,948,968,1005,1015,1019 +0415_00062 14,119,134,220,245,298,424,449,454,479,506,508,575,582,649,662,727,837,896,937,948,968,981 +0415_00063 15,19,56,65,89,122,134,139,153,172,199,311,318,319,326,330,349,361,405,422,436,445,461,481,486,524,525,558,566,580,625,626,629,632,678,690,728,755,760,782,783,791,836,850,887,920,930,936,960,964,968,974,975,1019 +0415_00064 57,96,109,134,145,185,260,347,421,449,487,508,550,565,575,588,626,636,673,685,692,954,968,970 +0415_00065 26,134,209,245,273,308,473,488,499,506,508,662,705,825,925,948,981 +0415_00066 134,409,550,620,626,640,676,733,947,968 +0415_00067 52,110,134,144,188,223,245,249,272,317,351,405,422,479,481,506,508,517,532,573,662,778,787,820,830,920,950,968,981,984,1012 +0415_00068 29,117,134,144,270,292,383,487,515,550,586,626,628,640,670,676,700,737,781,792,909,948,954,968 +0415_00069 15,64,67,89,120,122,129,132,134,139,153,163,168,199,245,309,311,319,326,330,337,386,405,422,461,481,486,506,508,524,530,582,609,615,626,631,632,662,669,671,782,783,791,792,823,836,850,860,868,887,889,920,930,936,964,968,974,1019 +0415_00070 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0415_00071 15,67,77,89,122,132,134,137,139,153,168,199,245,311,317,319,326,330,386,405,422,436,461,479,486,508,524,530,544,582,614,626,631,632,662,671,699,704,722,782,783,787,791,836,846,850,866,920,930,936,964,968,974,1019 +0415_00072 15,20,62,67,98,153,166,224,389,449,485,495,515,524,617,630,631,657,707,723,740,778,826,907,948,968,994,1004 +0415_00073 21,134,153,176,220,261,326,400,405,408,422,549,568,626,666,706,751,773,786,800,922,948,959,968 +0415_00074 15,35,62,82,152,153,237,293,297,299,358,437,453,778,789,818,826,948,983,994,1023 +0415_00075 13,20,134,166,230,278,299,300,347,381,410,481,482,487,508,515,516,522,530,549,550,626,647,673,716,727,781,821,834,887,948,968,970,979,1022 +0415_00076 30,67,89,134,140,141,153,199,234,239,245,273,311,317,326,327,330,369,374,405,422,461,469,479,508,524,529,548,550,582,584,614,622,626,638,653,662,680,719,727,751,759,787,791,808,826,836,846,866,871,880,919,936,968,974 +0415_00077 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 +0415_00078 15,80,96,120,134,135,145,189,226,233,249,285,335,376,405,421,454,487,549,550,662,799,955,968,987 +0415_00079 61,134,220,354,405,461,481,513,722,765,830,887,948,968,969,980 +0415_00080 15,62,96,114,134,144,145,153,243,270,421,487,550,581,588,670,674,782,809,847,948,968 +0415_00081 9,20,134,144,175,191,220,265,278,300,330,347,467,481,482,487,496,508,516,549,550,560,606,626,680,682,699,727,757,763,781,798,887,915,948,968,970 +0415_00082 102,134,223,236,240,245,248,249,319,376,405,422,487,506,508,524,576,582,595,630,662,686,715,727,743,778,784,808,948,968,969,981,982 +0415_00083 20,44,94,95,134,155,169,234,251,278,295,321,444,456,458,481,508,515,516,530,626,716,727,762,777,785,821,823,887,897,935,948,960,968 +0415_00084 62,96,134,145,153,186,209,270,334,410,421,487,504,550,588,700,833,849,874,919,948,968 +0415_00085 20,134,136,226,230,278,353,355,369,381,476,493,508,515,516,530,550,571,626,640,727,762,777,781,785,948,960,968,988 +0415_00086 20,35,59,112,123,134,144,192,215,237,250,259,282,317,341,405,415,418,422,432,479,481,508,538,592,662,670,702,727,744,780,787,819,917,948,968 +0415_00087 20,48,50,76,95,114,134,138,153,182,205,220,234,241,248,263,276,278,285,309,326,393,405,434,468,476,481,508,530,531,535,548,580,613,621,626,653,666,670,675,678,687,711,719,758,762,775,826,832,850,885,887,915,948,968,1017 +0415_00088 10,15,83,89,134,210,220,221,229,237,244,245,246,248,297,303,311,470,473,508,513,524,579,581,583,626,638,653,705,762,768,772,779,788,816,828,948,968,996 +0415_00089 7,20,37,138,222,279,334,344,347,349,403,508,516,549,649,727,741,761,762,915,927,948,960,1015 +0415_00090 25,41,62,64,67,134,189,206,216,245,317,405,422,479,506,508,515,517,524,533,582,585,614,620,662,681,686,787,794,806,876,948,968,984 +0415_00091 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 +0415_00092 17,26,35,110,115,122,134,144,153,170,207,226,227,251,310,390,459,515,516,527,532,626,640,647,676,714,787,822,946,948,968,977,995 +0415_00093 21,28,67,89,117,120,132,134,139,144,153,163,168,199,207,244,245,311,319,326,327,330,337,369,374,397,405,422,461,486,506,508,524,582,596,615,626,631,638,662,669,670,680,719,720,780,783,791,797,813,851,868,876,902,919,936,948,968,973,974 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132,138,144,349,409,626,761,794,819,948,977 +0415_00101 15,35,62,82,152,153,237,293,297,299,358,437,453,770,772,778,788,789,818,825,826,948,983,994,1023 +0415_00102 22,134,163,179,194,257,347,351,358,405,465,470,476,481,515,549,613,666,671,686,761,778,887,916,948,951,968,1002 +0415_00103 6,20,94,96,101,102,134,146,155,183,188,405,447,448,456,487,494,496,497,508,550,613,616,626,724,725,727,885,968,980,1012 +0415_00104 15,26,47,85,89,153,222,248,263,278,287,317,346,348,371,426,499,508,556,613,635,642,662,670,727,759,778,815,819,824,834,844,850,883,947,948 +0415_00105 20,27,64,91,96,122,134,158,182,220,259,290,312,341,367,388,481,487,489,550,631,651,713,748,756,828,871,907,948,968,1005 +0415_00106 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0415_00107 134,138,198,201,226,284,299,304,353,417,453,474,481,508,515,541,550,626,640,657,697,716,819,861,887,937,968,989,1016 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20,69,101,102,103,104,134,138,144,153,158,207,227,230,249,263,265,270,360,363,372,384,404,453,461,465,476,497,508,514,516,552,570,593,606,629,657,662,684,685,702,706,746,748,802,809,850,881,915,948,968,983,984,989,994,998,1012 +0415_00115 62,132,138,141,153,349,376,484,626,761,778,826,902,906,944,948,994 +0415_00116 47,96,120,134,145,204,213,220,229,245,266,302,392,421,425,459,481,487,508,524,550,572,588,603,610,678,686,722,887,935,943,948,968,1000 +0415_00117 4,44,104,133,134,153,161,234,254,270,284,328,347,368,391,393,405,415,481,503,515,541,549,580,613,626,640,652,675,678,705,706,713,719,733,778,788,819,856,887,944,948,961,968,1000 +0415_00118 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0415_00119 3,64,96,134,141,146,148,344,350,370,405,481,487,503,506,550,575,596,615,662,677,786,797,872,887,889,968,979 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4,20,24,48,68,71,107,124,134,146,153,172,181,197,236,269,270,305,346,347,360,374,500,508,515,516,517,532,549,550,553,585,605,622,629,652,670,705,709,727,745,757,768,778,844,852,903,932,948,968,987,994,1004 +0415_00127 20,78,85,89,134,136,153,201,278,321,347,434,451,481,505,508,516,530,544,550,617,659,663,673,716,727,819,862,866,887,948,968,970,994 +0415_00128 5,15,20,30,41,58,62,66,89,111,153,160,182,201,207,250,253,266,303,339,347,357,374,382,390,440,461,501,508,516,523,524,530,562,563,585,626,641,647,666,676,677,678,686,687,717,719,727,732,739,745,776,802,804,834,875,891,906,915,936,948,959,964,974,994,1008,1015 +0415_00129 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0415_00130 20,59,96,134,138,145,158,174,297,298,322,374,421,487,508,516,550,626,727,749,897,898,968,1004 +0415_00131 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0415_00132 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0415_00133 20,53,134,147,153,203,207,250,270,281,287,297,311,317,374,450,508,516,528,550,606,621,635,636,648,689,703,727,739,789,802,806,874,897,948,968,986,998 +0415_00134 10,75,134,163,202,317,389,399,405,422,449,479,481,511,529,559,609,613,662,691,713,750,778,787,800,828,887,894,915,948,964,968,989,1015 +0415_00135 15,20,62,96,102,134,145,153,270,278,314,421,451,487,524,550,588,612,657,685,686,698,778,808,833,889,925,948,961,968,978 +0415_00136 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0415_00137 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0415_00138 3,4,44,104,112,134,151,153,228,234,254,255,269,270,281,347,368,393,403,405,470,481,503,515,541,549,550,580,613,652,675,678,705,706,709,713,719,733,738,778,819,869,887,944,948,968,1000 +0415_00139 138,347,349,549,595,634,761,900,927,948 +0415_00140 20,66,69,94,99,107,113,114,134,144,153,179,199,203,207,208,231,233,247,261,297,306,349,365,374,377,383,393,395,396,405,420,449,461,480,481,496,508,512,514,516,522,529,530,537,550,580,602,613,626,635,636,652,654,668,670,672,673,676,678,693,713,714,727,737,739,752,789,882,887,897,905,924,948,960,968,981,999 +0415_00141 15,43,73,88,89,90,96,103,111,134,145,175,177,215,252,307,319,380,405,418,421,458,487,492,524,550,592,612,665,728,773,788,825,865,931,964,968 +0415_00142 4,44,48,59,104,134,153,161,234,254,270,328,347,353,363,368,393,405,415,437,481,503,515,541,549,551,580,601,602,608,613,626,640,652,675,678,705,706,713,719,733,744,778,819,887,927,944,948,968,1000 +0415_00143 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0415_00144 25,61,80,96,129,134,145,146,154,172,189,209,210,236,246,249,280,319,335,350,405,421,487,495,506,508,515,516,532,550,569,596,603,609,614,615,626,662,667,669,706,713,797,871,955,968,987 +0415_00145 17,62,96,132,134,138,145,153,270,349,376,421,487,550,588,626,634,645,665,712,761,848,951,968 +0415_00146 26,134,199,245,273,323,416,499,506,508,524,567,662,686,728,806,866,897,948,989 +0415_00147 1,4,11,15,26,42,87,89,118,134,175,182,183,201,222,245,286,318,330,347,353,364,407,452,461,482,496,508,512,519,524,534,540,549,550,558,561,581,586,596,597,600,609,630,656,663,666,686,705,709,734,761,778,783,808,838,840,861,883,893,945,948,968,989,1014,1016 +0415_00148 45,51,52,53,134,153,181,206,207,227,235,260,265,278,283,292,347,350,368,374,390,392,504,516,522,549,550,626,647,649,728,779,787,790,800,802,812,827,943,948,949,964,968,991,1019 +0415_00149 4,15,89,146,148,210,236,237,312,473,508,516,609,626,640,754,772,788,840,870,900,922,983,1015 +0415_00150 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0415_00151 9,20,78,134,144,153,191,220,265,278,312,321,330,347,434,467,481,487,496,505,508,516,544,550,560,573,606,663,680,682,699,727,763,781,798,887,915,948,968,970,994 +0415_00152 38,62,96,134,145,153,186,224,270,410,421,466,484,487,504,507,550,588,612,704,833,941,948,968,994 +0415_00153 8,15,40,54,65,89,134,137,139,153,199,200,209,222,311,318,319,326,343,376,405,412,413,422,460,469,481,506,516,524,529,588,600,603,613,626,629,640,651,653,669,674,697,713,737,754,763,772,783,878,887,900,960,964,965,968,970,975 +0415_00154 45,51,53,93,134,143,153,178,181,206,207,227,235,260,265,270,278,281,292,326,347,390,392,408,516,550,599,626,649,666,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0415_00155 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0415_00156 1,15,35,40,89,134,144,153,159,169,170,187,194,206,207,224,227,245,251,292,326,331,346,347,370,390,408,412,423,427,442,446,467,487,498,516,540,550,559,564,624,626,649,705,708,714,779,781,800,813,836,859,936,948,968,977 +0415_00157 13,15,20,134,153,160,175,207,237,245,254,332,341,363,481,508,524,601,727,754,799,808,844,883,892,893,948,994,1022 +0415_00158 15,26,37,89,227,230,324,407,421,463,481,594,608,819,964,1012 +0415_00159 51,53,78,134,137,146,153,181,184,189,206,207,227,235,261,265,292,333,346,347,390,392,408,427,452,479,487,490,507,516,531,545,550,626,649,662,705,779,781,786,790,797,800,802,813,832,948,949,958,968,1019 +0415_00160 57,153,483,489,508,529,948,954,956,994 +0415_00161 81,96,108,116,134,141,146,148,154,162,209,234,246,272,307,335,350,364,385,393,405,487,503,506,550,569,585,596,615,662,725,786,787,797,867,872,955,968,977,987 +0415_00162 74,96,98,128,134,141,146,196,207,217,227,376,405,425,481,487,550,596,615,738,773,802,846,872,877,948,952,961,968,979,982,985 +0415_00163 33,56,93,134,154,192,220,260,399,405,429,476,485,494,508,514,515,521,542,550,574,577,606,613,646,686,731,760,802,948,968 +0415_00164 20,39,49,77,94,134,153,163,165,199,207,344,465,480,481,508,511,527,547,598,626,727,755,802,849,948 +0415_00165 15,20,26,62,77,89,94,96,107,134,145,151,153,175,178,190,205,207,225,231,237,270,275,284,296,371,381,396,397,401,415,421,423,424,436,456,458,461,481,484,487,504,508,516,524,550,588,589,602,612,626,637,647,673,677,727,772,777,778,786,827,851,864,913,935,968,969,978 +0415_00166 8,15,20,40,54,65,89,94,134,137,139,209,246,318,319,330,343,405,412,413,422,460,476,481,484,498,506,508,516,524,529,560,600,603,613,626,629,640,651,653,669,674,677,713,727,737,754,763,772,783,855,863,887,900,945,960,964,968,970,975 +0415_00167 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0415_00168 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0415_00169 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0415_00170 20,94,134,155,169,234,278,321,444,456,458,508,515,516,530,573,626,727,750,762,777,785,897,948,958,960,968,1011 +0415_00171 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0415_00172 10,96,134,146,254,257,326,336,345,405,487,524,550,563,596,612,626,677,766,796,872,928,968,1006,1008 +0415_00173 14,15,16,40,89,97,134,150,201,203,216,245,247,265,272,303,333,349,363,388,399,426,438,439,470,481,482,487,506,508,524,525,550,554,603,654,662,686,699,727,755,766,772,781,823,832,836,887,929,968,1022 +0415_00174 20,26,72,74,81,89,116,123,134,144,147,163,197,228,245,265,283,326,341,353,376,417,418,423,432,452,473,476,481,487,499,508,517,523,550,552,573,584,587,601,621,626,640,669,670,676,683,686,696,700,715,719,720,727,728,729,739,773,781,799,802,833,847,855,899,905,920,936,943,946,948,968,1006 +0415_00175 80,96,134,138,145,167,189,205,209,249,265,335,405,421,481,487,494,506,510,550,569,606,610,615,627,629,662,667,696,699,751,781,786,797,855,887,955,968,987 +0415_00176 13,56,94,134,152,227,341,405,437,452,485,519,543,552,587,626,638,640,647,662,710,713,714,766,794,948,955,968 +0415_00177 23,38,58,62,96,130,134,145,153,175,186,224,270,410,421,439,466,484,487,504,550,588,612,802,833,850,914,946,948,949,951,968,994 +0415_00178 20,22,58,128,134,153,182,213,220,278,288,319,366,367,420,480,487,491,502,508,516,550,562,618,649,659,727,772,781,911,914,948,968,994 +0415_00179 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0415_00180 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0415_00181 15,26,105,134,144,153,162,176,207,218,222,237,259,270,309,350,417,519,550,620,626,640,647,670,676,682,687,724,731,733,757,783,788,847,855,905,925,926,929,947,948,968 +0415_00182 36,43,67,75,85,96,134,138,234,317,319,370,373,405,417,422,423,436,453,479,486,494,508,511,523,524,525,552,559,576,580,657,662,686,691,750,787,827,828,831,871,905,915,927,948,950,960,968,982,989,999,1006,1018,1021 +0415_00183 1,4,11,15,23,26,42,89,103,134,156,175,182,201,211,222,224,245,273,283,286,318,347,353,391,398,420,433,452,461,496,503,508,512,524,534,540,549,550,568,574,586,590,596,625,626,656,666,686,700,705,709,724,729,758,778,793,855,911,934,941,947,948,968,982,989,1016,1023 +0415_00184 76,96,134,159,223,245,272,487,503,506,508,542,550,582,628,632,637,654,662,714,717,727,741,763,786,792,797,835,968,981,1019 +0415_00185 15,26,29,57,68,89,90,130,134,144,153,175,180,196,220,222,237,269,322,336,423,473,487,515,520,540,550,586,587,603,626,640,653,654,670,676,687,725,747,772,781,792,834,847,855,889,929,948,968 +0415_00186 17,25,134,146,172,192,220,236,280,343,380,508,522,532,542,550,609,626,686,948,968,971 +0415_00187 16,58,134,153,154,171,209,225,270,281,410,504,550,619,700,712,779,825,833,837,849,850,874,919,946,948,968 +0415_00188 22,45,51,52,58,101,134,153,178,206,207,227,260,270,278,280,281,292,347,360,365,390,392,393,430,516,535,547,549,550,562,583,612,626,649,667,728,762,779,786,800,812,820,943,948,968,994 +0415_00189 3,4,44,64,93,134,141,153,164,245,270,274,290,328,347,405,415,437,481,487,491,506,508,515,519,542,549,551,582,615,662,680,689,705,706,744,755,778,803,824,860,887,889,948,968,987,1006 +0415_00190 1,15,37,65,66,84,88,89,96,101,111,133,134,147,175,230,234,309,320,338,396,405,414,438,469,487,498,513,517,518,524,550,560,573,580,585,603,605,654,670,686,725,742,743,749,816,830,864,866,877,908,933,934,948,968,977 +0415_00191 3,15,20,26,48,70,72,89,134,144,171,194,197,228,238,245,283,294,303,326,331,334,341,350,353,357,376,412,418,432,452,473,478,481,485,487,489,492,499,508,517,527,550,552,573,583,601,612,626,640,670,683,696,700,715,727,739,773,781,799,843,847,855,880,906,918,943,945,948,956,964,968 +0415_00192 20,68,94,96,134,166,201,253,298,299,353,456,481,498,508,515,550,626,640,658,716,727,851,887,928,955,968 +0415_00193 5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0415_00194 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0415_00195 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0415_00196 20,25,26,72,84,89,116,123,134,144,147,163,197,228,245,265,277,283,326,341,353,363,376,417,418,423,432,452,466,473,476,481,487,499,508,510,517,550,552,573,584,601,626,640,669,670,683,696,698,700,702,715,719,727,729,739,773,781,799,831,833,847,855,905,908,920,936,943,945,946,948,968,1006 +0415_00197 20,47,96,120,134,145,164,204,213,220,229,245,278,290,378,421,459,464,487,504,508,516,524,550,572,588,603,610,672,686,727,762,777,798,875,934,943,948,960,968,1000,1002 +0415_00198 15,20,23,26,83,89,111,134,142,153,172,207,219,220,224,245,272,302,305,306,310,332,341,347,419,446,472,479,481,508,524,544,545,549,555,564,575,600,603,645,662,700,701,712,727,730,745,788,827,838,856,887,916,940,943,948,952,969,997,1020 +0415_00199 20,94,129,134,136,169,218,278,317,456,464,508,516,530,550,626,635,659,727,733,762,777,785,897,947,948,960,968 +0415_00200 15,20,25,68,89,96,110,115,134,139,146,153,154,175,176,190,217,236,237,265,270,289,305,327,353,371,374,430,446,481,490,500,508,515,516,524,525,564,609,626,640,682,694,700,727,740,756,772,778,793,863,873,884,887,938,948,955,964,968,976,994,1004 +0415_00201 20,38,52,55,72,94,107,118,134,141,147,153,161,182,207,260,267,270,281,302,347,424,481,508,550,558,616,620,626,635,640,676,697,727,733,812,871,883,947,968,989 +0415_00202 15,59,62,68,79,89,96,134,146,196,217,221,233,237,244,247,319,376,405,425,426,449,487,550,570,596,615,618,662,690,739,770,772,773,776,846,866,872,937,968,979,985,997,998,1009 +0415_00203 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0415_00204 15,26,29,41,44,66,86,90,134,153,160,175,207,222,233,237,319,352,356,380,420,487,488,515,524,540,550,559,586,591,603,626,631,640,676,686,687,714,765,781,792,889,931,948,954,960,968,994 +0415_00205 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0415_00206 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 +0415_00207 5,15,20,40,89,92,94,108,122,134,140,153,154,171,183,201,207,240,252,254,263,268,347,456,474,481,492,498,508,516,540,587,597,626,686,687,727,740,762,767,802,856,891,896,948,960,968,994,1009 +0415_00208 15,26,105,134,153,162,176,196,207,222,227,237,259,270,289,315,350,358,516,519,550,620,626,640,644,647,676,687,718,731,733,757,788,802,855,925,926,940,947,948,968,998 +0415_00209 19,36,44,65,75,89,124,134,139,153,163,192,199,207,212,265,310,311,319,326,327,330,369,374,405,422,461,486,499,524,525,559,570,580,604,609,625,626,629,638,680,697,719,783,791,857,915,919,936,948,959,960,968,974,975,1015 +0415_00210 20,29,134,230,278,309,316,381,410,487,493,508,515,516,530,550,586,626,640,672,676,727,762,777,781,785,792,948,960,968,981 +0415_00211 10,15,26,89,105,136,146,268,270,286,352,476,499,524,626,772,808,818,819,936,948 +0415_00212 15,20,94,107,134,153,160,175,195,207,237,245,254,314,332,363,508,512,524,626,727,808,844,883,892,893,948,994,1022 +0415_00213 15,20,62,67,91,153,166,283,314,524,556,585,632,647,657,685,686,725,741,755,778,808,826,861,948,961,968,994 +0415_00214 4,20,21,34,48,63,68,91,93,94,129,134,153,181,215,220,240,247,256,260,307,330,347,350,356,390,393,396,405,410,421,425,437,456,458,485,505,506,508,515,527,549,550,561,580,585,593,596,615,626,638,657,662,664,669,715,727,744,778,797,812,848,915,928,929,939,948,968 +0415_00215 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0415_00216 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0415_00217 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0415_00218 3,8,9,15,24,26,31,33,35,54,55,67,70,89,95,114,134,142,144,153,156,186,196,197,201,225,241,245,249,254,260,265,268,274,278,309,318,320,325,339,341,344,347,348,350,358,361,370,385,405,406,421,424,435,458,461,466,467,473,485,488,499,508,527,531,534,538,540,543,549,590,608,610,624,626,628,637,649,651,656,658,670,678,696,707,713,719,723,724,725,726,727,728,731,743,763,772,789,797,798,819,836,850,855,866,869,883,890,894,911,914,933,936,948,951,956,959,964,968,974,1010,1015 +0415_00219 63,73,96,120,134,183,188,405,422,476,487,494,515,536,550,577,613,625,722,760,889,935,968,1012 +0415_00220 20,32,45,96,134,138,144,196,203,259,267,275,288,300,344,347,361,394,407,408,482,487,495,496,508,516,517,540,549,550,565,578,591,596,642,646,697,727,752,761,776,810,832,843,850,856,881,913,948,968,970,999 +0415_00221 12,20,53,74,81,90,109,115,116,134,146,153,207,236,245,255,270,272,312,326,339,347,366,381,383,385,393,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,575,585,588,595,603,615,626,727,739,751,772,781,802,824,827,858,873,874,917,948,968,1011,1020 +0415_00222 15,20,26,53,62,89,94,96,102,107,115,134,145,153,175,178,207,220,231,237,264,270,275,284,296,323,342,348,356,371,397,415,421,423,461,487,508,516,524,550,588,602,626,647,673,698,707,727,764,772,777,786,802,827,851,901,935,948,959,968 +0415_00223 4,20,34,68,69,91,104,134,164,254,281,347,390,393,394,405,425,437,481,508,515,539,549,551,555,580,605,613,652,678,705,713,727,744,778,800,803,817,819,887,897,937,948,968,972,1009 +0415_00224 56,120,134,152,363,405,452,485,543,638,662,744,760,794,913,948,968 +0415_00225 20,78,96,134,139,145,153,184,278,326,366,381,393,421,472,475,487,508,516,530,550,626,659,683,699,727,898,968 +0415_00226 15,42,68,89,94,122,134,139,153,156,173,185,210,220,224,245,250,259,311,326,330,340,370,379,461,463,506,508,524,533,569,575,580,582,585,626,649,662,671,675,773,791,806,817,841,853,878,910,918,920,948,964,965,968,974,976 +0415_00227 80,96,108,134,141,145,146,148,154,189,209,246,249,319,335,350,405,421,487,503,506,550,569,596,615,662,667,786,797,867,872,955,968,987 +0415_00228 4,20,51,91,111,134,153,157,260,296,319,326,341,347,418,430,481,541,550,556,563,599,635,675,778,800,812,832,844,897,959,968,984 +0415_00229 20,51,53,62,68,88,104,134,136,152,153,172,181,206,207,227,230,235,265,278,292,346,347,365,366,390,392,458,508,515,516,530,550,586,597,614,626,649,657,663,683,705,709,727,750,757,762,774,779,790,800,802,813,829,887,915,948,968,994,1019 +0415_00230 38,85,96,104,134,144,146,242,254,257,286,291,329,345,347,369,380,405,463,487,524,539,550,563,596,612,664,670,761,796,872,875,886,907,948,968,971,1001,1006 +0415_00231 1,11,14,15,24,26,29,40,60,85,89,96,118,134,166,167,168,175,195,220,222,235,237,271,292,337,419,445,473,477,492,496,501,515,524,540,550,579,589,596,618,626,640,666,676,686,687,763,772,792,818,883,903,947,948,968 +0415_00232 14,28,58,103,110,134,144,153,230,245,257,321,329,363,384,405,411,427,450,506,508,516,615,662,668,703,714,739,748,830,908,948,961,965,977,991,994 +0415_00233 22,62,85,96,134,145,153,188,270,311,421,452,487,516,550,588,606,770,831,968,981 +0415_00234 96,108,134,141,146,148,154,189,209,213,220,246,319,335,343,350,405,487,503,506,522,542,550,554,569,583,596,615,662,686,786,797,867,872,936,948,955,968 +0415_00235 20,49,56,69,74,109,125,134,144,146,147,148,153,167,207,260,309,347,355,452,474,487,508,515,520,527,541,545,550,603,647,670,678,727,732,781,802,825,852,905,911,948,954,961,968,994 +0415_00236 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0415_00237 29,90,96,134,145,203,220,235,245,249,272,335,346,360,380,405,421,487,493,506,508,516,550,582,616,630,662,710,718,824,864,925,948,968,987 +0415_00238 62,96,98,134,145,147,153,186,269,270,400,410,421,487,504,550,588,734,833,883,919,948,968 +0415_00239 2,15,16,20,66,81,101,111,116,126,134,136,148,153,161,162,174,175,220,230,241,254,259,270,272,278,281,297,307,335,354,358,367,368,373,374,385,393,405,451,453,464,467,487,495,496,508,515,516,517,524,528,530,531,550,563,580,583,585,586,594,610,613,615,627,635,657,686,697,705,725,727,735,737,797,819,824,857,861,889,897,911,922,936,948,961,968,977,987,994 +0415_00240 34,63,93,103,129,134,147,153,159,181,215,220,240,245,247,260,275,289,307,332,347,350,393,396,405,421,424,454,479,485,505,506,508,515,549,550,566,585,593,596,602,615,638,649,657,662,664,669,680,768,778,797,812,827,848,857,896,913,915,917,939,948,968,977 +0415_00241 1,4,11,15,20,26,42,84,89,97,118,134,165,170,175,182,183,201,222,223,244,268,275,286,313,318,330,347,353,407,425,449,461,496,508,510,512,524,534,540,549,550,561,596,597,642,658,663,666,686,705,709,727,734,762,778,783,798,838,848,883,886,945,948,968,970,982,989,994,1014,1016 +0415_00242 15,26,57,68,89,109,130,134,144,153,175,196,209,220,222,237,260,269,336,347,416,421,423,473,487,505,515,520,540,542,549,550,587,626,653,654,670,687,725,747,772,778,781,834,847,855,889,905,921,929,948,968,1010 +0415_00243 96,134,141,146,148,154,202,272,283,350,353,360,362,405,487,503,506,543,550,568,569,596,615,626,640,654,662,675,714,786,797,867,872,940,955,968,1000,1012 +0415_00244 15,48,57,132,134,138,156,201,245,250,259,309,354,361,385,417,425,439,453,459,461,506,508,524,539,552,605,624,626,642,657,662,663,676,680,681,688,727,748,757,776,806,850,926,968,989 +0415_00245 4,96,134,141,146,148,154,181,210,272,274,342,347,349,350,360,399,405,408,487,503,506,549,550,569,596,615,654,662,701,705,714,778,786,794,797,867,872,948,955,968,1000 +0415_00246 13,96,134,181,196,210,245,247,272,305,444,483,487,508,550,582,619,654,662,714,718,773,846,873,878,968,985 +0415_00247 15,26,44,57,68,89,109,134,153,175,196,209,220,222,237,260,269,336,347,416,421,423,445,473,487,505,507,515,516,540,542,549,550,614,626,669,687,772,778,781,802,834,855,863,889,905,906,921,948,968,998,1004,1010 +0415_00248 15,26,35,71,89,111,134,143,144,153,171,189,196,204,206,217,233,244,245,256,260,265,282,286,341,347,350,352,423,424,425,435,461,467,485,488,497,499,508,521,523,524,526,534,538,545,549,557,580,594,618,626,643,651,656,658,666,670,686,689,696,704,711,713,717,719,726,744,763,771,780,799,812,819,832,853,855,859,863,869,878,883,885,894,895,903,906,916,936,937,938,947,948,964,970,974,981,987,993,994,1005,1015 +0415_00249 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0415_00250 15,26,77,105,118,134,153,162,176,207,222,237,250,259,260,347,350,370,418,481,505,519,549,550,626,647,666,687,731,757,778,788,812,849,855,887,925,948,968,980,997 +0415_00251 15,26,48,57,68,89,109,134,138,153,175,178,196,209,220,222,237,238,260,269,274,336,347,416,421,423,448,473,487,505,507,515,540,542,549,550,626,659,672,687,772,778,781,833,834,855,874,889,905,919,921,948,968,1001,1010 +0415_00252 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0415_00253 1,67,134,136,153,205,207,225,231,243,245,266,305,316,319,377,390,405,416,422,461,483,508,524,556,576,585,603,626,632,658,661,686,715,720,748,778,802,808,825,852,858,865,916,948,955,968,969,975,982,995 +0415_00254 15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0415_00255 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0415_00256 15,20,26,34,67,89,136,146,152,153,160,272,347,370,385,452,497,499,508,524,530,556,582,639,640,662,686,706,727,748,762,778,819,844,873,902,918,948,982 +0415_00257 3,6,20,26,72,84,89,117,122,124,134,144,194,197,201,225,228,245,256,260,283,316,326,334,341,351,353,370,407,418,432,452,455,460,477,481,487,504,508,517,530,550,552,556,573,601,612,616,626,640,670,683,696,700,713,719,720,727,773,781,799,814,839,847,855,888,906,908,936,937,943,948,968,1006 +0415_00258 25,96,134,146,196,217,233,236,333,376,405,425,434,487,502,508,550,595,596,609,615,626,728,773,781,846,872,942,968,979,985,1019 +0415_00259 20,134,136,260,278,317,347,439,464,505,508,516,530,549,550,659,666,727,762,777,778,785,812,873,948,960,968,980 +0415_00260 20,96,108,117,134,141,144,146,148,154,189,209,246,285,319,335,350,405,487,503,506,550,569,583,596,615,662,670,700,737,773,778,786,797,867,872,905,936,948,955,968 +0415_00261 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0415_00262 15,20,26,67,89,107,146,153,317,336,347,370,371,385,491,497,499,508,530,556,582,640,662,727,748,759,762,778,815,819,834,844,873,918,947,948,982 +0415_00263 3,14,20,37,51,96,101,129,134,140,145,177,184,197,213,230,278,300,347,350,353,405,407,421,451,465,482,487,506,508,515,516,549,550,568,594,596,609,615,626,662,669,696,701,712,717,727,792,797,824,875,948,968,970,997,1023 +0415_00264 20,78,96,134,139,145,207,212,236,278,301,381,390,421,487,488,508,516,530,541,550,626,659,727,802,805,909,917,948,968 +0415_00265 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0415_00266 1,15,89,96,134,135,144,145,214,233,328,356,373,388,391,396,410,413,421,487,550,573,626,649,662,673,678,709,772,784,953,968,996,1009 +0415_00267 15,26,51,57,89,91,115,150,172,227,306,481,499,535,572,594,608,618,670,787,819,925,948,1012 +0415_00268 20,37,51,62,129,134,140,153,172,197,230,245,255,260,278,296,300,347,350,405,407,429,430,482,506,508,515,516,549,550,565,582,596,609,615,626,662,664,669,696,717,727,772,774,794,797,800,812,875,939,948,968,970,994 +0415_00269 20,84,89,96,134,234,254,268,317,341,481,487,508,524,542,550,575,604,612,626,666,677,727,733,815,833,897,906,908,936,951,968,972,1006 +0415_00270 20,78,96,134,139,145,278,381,421,464,487,508,516,530,550,659,727,762,777,785,948,951,960,968 +0415_00271 13,20,59,96,133,134,138,141,145,153,321,333,387,406,421,423,427,487,508,530,550,575,590,727,728,761,812,819,858,968,987 +0415_00272 20,55,96,134,144,145,207,279,379,388,390,421,441,487,508,550,626,628,636,669,670,727,737,741,802,815,871,909,948,968,981 +0415_00273 13,20,52,92,126,134,139,146,153,182,206,220,236,261,265,280,288,347,367,413,418,430,455,466,480,487,508,549,550,609,626,642,670,727,781,800,818,844,854,890,898,946,948,968,982 +0415_00274 12,47,133,134,136,146,149,167,172,188,220,236,260,281,322,337,354,405,461,508,513,516,530,532,550,626,675,679,704,717,749,809,830,900,948,968,969,980,995,1021 +0415_00275 1,20,67,72,104,134,153,205,243,245,266,316,319,377,405,416,417,422,461,466,483,497,508,524,530,556,576,585,603,632,650,658,686,715,727,748,762,778,784,808,825,852,865,916,948,968,969,975,982,995 +0415_00276 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0415_00277 47,96,120,134,145,204,213,220,221,229,245,326,329,421,432,459,487,508,524,550,572,588,589,603,610,626,640,686,780,943,948,968,1000,1007 +0415_00278 15,20,40,52,57,69,73,77,79,89,93,94,100,107,114,134,137,139,143,149,153,159,172,174,175,194,202,207,245,268,270,303,317,345,350,364,369,386,390,400,405,422,435,437,440,451,456,479,488,492,493,507,508,514,516,524,541,550,554,556,577,581,593,603,620,626,640,647,651,663,670,672,676,677,686,697,711,727,729,733,739,748,761,773,774,797,816,823,848,853,863,898,906,915,917,920,947,948,949,968,972,994,1003 +0415_00279 51,53,64,76,96,109,124,134,148,153,181,206,207,227,235,247,265,272,292,328,346,347,390,392,408,424,467,487,503,506,516,542,550,597,626,649,654,662,683,702,705,708,714,741,779,781,786,790,797,800,802,813,832,912,948,968,1019 +0415_00280 134,147,260,347,505,549,550,620,626,640,647,666,676,733,778,812,947,948,968,980 +0415_00281 9,20,91,99,134,153,196,255,270,326,347,389,401,420,448,451,487,508,515,545,550,588,626,670,707,727,745,760,773,781,852,858,897,898,948,968,983,994 +0415_00282 56,120,125,134,152,174,220,404,405,449,452,513,543,555,591,638,662,702,760,768,794,932,948,960,968 +0415_00283 14,20,52,58,92,97,134,146,153,207,220,236,263,292,338,342,347,400,413,416,431,457,465,508,549,597,605,609,626,649,670,710,727,745,763,773,790,795,802,818,839,844,854,883,948,949,968,983 +0415_00284 15,20,21,26,44,54,83,89,111,134,142,153,172,207,219,220,224,245,272,305,306,310,332,341,347,457,472,479,481,508,524,542,544,545,549,555,557,564,575,600,603,619,645,662,701,710,712,727,745,778,788,827,856,916,940,943,948,952,955,956,969,997 +0415_00285 4,15,20,26,40,44,67,80,89,97,101,134,136,140,141,149,153,174,197,200,208,210,234,235,245,247,250,260,272,304,322,326,328,331,342,347,353,393,397,408,440,461,475,481,487,500,508,510,549,550,599,626,640,654,657,667,675,679,683,687,697,699,704,705,719,723,727,739,763,778,781,789,792,795,803,819,827,855,894,898,926,936,941,948,952,964,968,973,974,993,995,1003 +0415_00286 15,45,51,53,89,134,153,160,178,181,206,207,227,235,260,265,270,278,281,292,347,360,390,392,430,516,550,555,586,598,612,626,649,654,667,728,772,776,779,786,790,799,800,802,812,820,842,873,943,948,968,1019 +0415_00287 38,67,71,91,134,178,202,205,220,223,245,289,298,306,352,367,368,371,405,455,494,506,508,515,551,553,582,613,648,655,662,663,727,948,950,968,981,1018 +0415_00288 20,22,25,31,45,63,68,84,96,106,114,134,138,146,148,149,153,165,171,172,187,188,192,211,212,236,249,270,280,284,302,313,342,356,366,381,382,391,412,414,423,446,447,452,462,467,468,476,487,490,498,505,508,510,515,522,525,550,552,555,557,588,600,601,609,626,635,646,649,670,699,713,737,766,781,783,790,795,805,852,873,897,905,922,948,953,960,968,989,994 +0415_00289 31,133,134,146,149,162,172,201,236,248,260,261,275,347,350,365,366,405,437,461,481,486,505,508,512,516,532,549,550,580,588,617,626,640,705,712,713,716,717,744,770,778,794,809,862,887,948,960,968 +0415_00290 25,63,96,115,134,146,162,172,173,215,236,280,406,487,508,515,518,532,550,577,595,606,609,626,713,741,787,819,921,935,968 +0415_00291 20,94,129,134,169,437,456,458,470,497,508,550,608,626,635,727,762,897,927,947,948,968 +0415_00292 56,138,144,211,261,358,411,852,948,977 +0415_00293 59,96,134,141,145,153,175,321,326,333,371,406,421,487,550,626,666,728,761,809,812,819,922,968,987 +0415_00294 32,51,62,85,96,98,109,134,145,153,186,255,259,260,270,296,332,347,400,410,421,430,487,504,550,575,588,616,718,723,754,800,829,833,883,919,948,951,968 +0415_00295 1,15,20,32,33,84,89,96,134,140,234,254,268,282,309,341,404,429,467,481,486,487,498,508,524,540,550,612,626,647,666,726,727,782,815,833,842,845,906,908,936,962,968,972,1006,1009,1019 +0415_00296 30,96,134,145,192,333,406,421,487,550,552,631,745,761,770,890,948,968,987 +0415_00297 20,59,96,105,134,138,141,145,146,153,266,321,333,370,387,406,421,423,487,508,530,550,575,682,727,728,743,761,778,812,819,925,968,987 +0415_00298 36,57,71,96,121,134,145,213,374,421,468,487,508,550,626,680,692,795,901,954,968 +0415_00299 9,15,18,67,83,96,134,153,175,187,205,223,254,260,274,326,334,405,428,450,452,482,487,524,550,553,566,606,612,626,651,658,666,682,748,778,837,865,880,908,923,968,973,989,994,1006 +0415_00300 15,26,105,134,138,153,162,168,176,178,207,222,237,238,250,259,260,347,350,465,505,519,526,549,550,626,647,666,687,710,731,757,778,788,812,819,833,855,916,919,925,936,942,948,968,980 +0415_00301 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0415_00302 26,96,129,134,145,168,209,245,269,273,306,308,353,416,421,473,487,506,508,523,540,550,620,622,626,640,644,651,662,676,705,733,809,889,899,947,968,981 +0415_00303 20,56,96,111,134,140,145,146,153,294,321,333,405,406,421,461,466,487,508,550,727,728,761,762,812,948,968,987 +0415_00304 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0415_00305 15,25,65,89,134,151,174,197,220,227,245,272,341,350,367,380,386,405,445,475,479,487,490,506,508,524,550,554,567,580,582,585,596,603,605,633,643,654,662,725,735,744,748,763,772,828,841,928,936,948,957,966,968,977 +0415_00306 15,20,26,32,45,61,84,85,89,94,165,182,184,212,251,263,281,331,393,404,433,461,466,499,505,508,523,527,538,570,597,626,669,681,702,711,727,771,779,829,848,882,904,948,966,1009 +0415_00307 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0415_00308 20,40,43,52,62,72,85,94,96,104,134,144,153,160,194,241,244,257,268,270,272,281,322,335,336,339,343,373,405,451,456,470,487,503,508,524,540,543,548,550,596,603,615,626,642,652,654,658,662,686,714,727,744,746,759,786,794,852,855,885,889,909,936,940,946,948,958,963,968,977,994,1002,1016 +0415_00309 9,20,81,94,113,134,153,169,318,335,389,401,451,454,456,487,508,512,515,545,550,619,626,670,707,727,745,773,781,852,897,898,948,968,983,994 +0415_00310 8,20,70,86,96,118,134,178,180,194,207,278,326,374,391,392,400,405,407,444,446,448,449,452,454,487,508,516,524,542,550,555,571,580,585,605,626,631,632,633,640,641,663,670,685,686,702,714,727,773,798,829,842,848,948,965,968,971,987 +0415_00311 4,20,68,96,134,181,190,278,347,408,446,467,487,508,516,546,549,550,560,623,705,727,762,777,778,840,929,948,960,968,1005,1010 +0415_00312 96,126,134,145,153,321,333,406,421,430,487,550,554,637,728,761,812,913,948,968,987,994 +0415_00313 25,33,50,53,134,193,207,257,343,347,405,407,516,520,531,549,582,613,671,778,802,848,902,916,918,948 +0415_00314 8,15,26,86,134,174,201,222,237,245,273,373,502,506,508,513,662,687,752,785,788,862,878,925,973,988,1023 +0415_00315 131,138,153,277,347,349,505,525,634,688,709,761,796,948,994 +0415_00316 57,96,134,145,225,374,421,468,481,487,508,550,661,848,884,901,946,954,955,968,993 +0415_00317 15,20,78,80,89,96,128,134,144,145,146,180,196,202,214,237,249,254,270,297,299,306,332,344,347,355,373,421,440,443,452,472,487,491,508,525,550,621,626,641,654,662,666,678,727,762,772,784,964,968,983 +0415_00318 12,20,133,134,136,146,149,167,172,188,220,236,260,278,281,317,337,354,405,461,464,508,513,516,530,532,550,659,665,675,717,727,749,762,777,785,809,830,900,948,960,968,969,980 +0415_00319 15,32,44,57,70,120,131,134,137,144,153,173,189,194,200,220,226,233,244,302,317,328,330,334,361,367,376,405,454,504,515,576,626,640,662,696,746,775,791,948,950,968,977,1018 +0415_00320 1,4,7,13,15,62,89,96,134,145,148,151,153,159,160,175,194,205,245,270,347,368,379,386,402,421,451,456,465,487,508,515,524,540,546,549,550,570,573,581,584,586,588,607,612,616,644,654,692,694,705,772,778,794,829,830,861,888,889,948,968,981,982,994 +0415_00321 12,28,52,57,73,74,112,134,144,146,153,176,221,222,236,240,280,336,338,344,347,381,405,430,446,476,481,486,487,494,502,515,516,530,549,550,567,575,580,616,636,640,643,679,705,709,731,757,764,766,781,782,800,824,842,850,878,888,909,947,948,960,968,976,1009 +0415_00322 1,15,64,69,92,95,96,134,136,144,150,153,160,206,215,255,261,272,309,382,439,461,487,498,542,550,554,555,569,600,654,655,670,714,726,742,763,813,842,844,847,850,851,902,948,968,984,997,1003,1012 +0415_00323 15,20,37,63,74,84,94,96,114,123,134,144,153,155,183,223,227,242,254,305,312,348,433,434,455,456,482,487,489,508,550,560,577,616,626,644,657,670,674,696,719,725,727,739,756,768,781,810,814,850,860,880,909,925,928,929,935,945,948,968,977 +0415_00324 19,62,96,98,134,145,153,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,718,721,755,778,826,833,853,883,919,948,968,994 +0415_00325 4,20,25,68,96,134,145,146,170,234,236,271,298,347,353,360,389,421,436,446,487,508,515,516,545,549,550,555,589,609,626,640,705,727,749,778,867,873,897,898,948,955,968,972,999,1011,1018,1019 +0415_00326 6,20,29,83,96,134,205,223,240,254,263,268,274,281,334,341,372,429,445,452,465,481,487,508,515,524,550,554,566,570,602,612,625,626,640,676,680,727,833,865,877,906,927,947,968,972,1006 +0415_00327 4,15,20,26,40,44,67,80,89,97,101,134,136,140,141,149,153,174,197,200,208,210,234,235,245,247,250,260,272,304,322,326,328,331,342,347,353,393,397,408,440,461,475,481,487,508,510,549,550,599,617,626,640,654,657,667,673,675,679,683,687,697,699,704,705,719,723,727,739,763,778,781,789,792,803,819,827,855,894,898,926,932,936,941,948,952,964,968,973,974,993,995,1003 +0415_00328 15,20,26,94,153,180,222,237,243,313,435,480,508,522,524,570,593,626,685,687,727,788,826,828,925,947 +0415_00329 31,52,96,134,145,153,265,321,330,333,347,406,421,432,487,549,550,551,728,761,812,908,948,959,968,987 +0415_00330 15,20,62,67,91,153,166,200,283,314,524,556,585,632,657,662,685,686,725,741,755,778,781,808,826,861,948,961,968,994 +0415_00331 21,24,96,134,145,153,249,326,335,360,378,405,420,421,430,458,461,487,500,550,615,626,641,713,717,722,778,874,881,894,950,968,987,999 +0415_00332 5,23,67,133,134,146,149,162,172,201,219,220,236,295,332,354,387,389,405,461,481,508,514,516,532,550,577,617,681,716,717,770,772,809,861,862,887,948,968,980 +0415_00333 96,134,145,153,167,207,233,302,315,347,360,363,373,421,427,430,459,487,516,550,566,594,601,647,685,688,802,812,867,925,948,968,998 +0415_00334 20,24,31,38,62,79,96,123,134,138,145,153,182,183,186,187,218,220,224,259,270,302,367,385,387,399,410,421,466,467,480,484,487,504,550,565,588,605,612,651,779,781,833,919,948,968,982,994 +0415_00335 20,134,138,151,168,173,300,347,394,508,549,550,620,626,635,640,676,727,733,840,897,947,948,966,968,1004 +0415_00336 20,75,84,89,96,134,234,254,268,341,461,481,487,506,508,524,550,612,666,727,766,783,815,821,833,883,887,906,908,951,964,968,972,974,976,1006 +0415_00337 8,15,26,48,127,134,135,201,222,226,237,245,309,358,448,508,513,662,687,711,788,925,973,1022,1023 +0415_00338 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0415_00339 4,20,94,134,164,169,236,341,347,437,456,458,508,515,549,551,626,705,727,744,778,800,803,897,937,948,968 +0415_00340 15,33,65,111,134,153,175,195,237,251,254,326,373,383,405,463,483,514,524,532,569,613,626,635,662,666,670,717,729,740,768,785,788,844,855,922,929,931,949,954 +0415_00341 15,20,57,58,89,97,153,170,210,237,270,294,355,473,492,495,508,516,727,750,754,772,788,837,870,900,948,994,996,999 +0415_00342 20,134,136,220,278,317,343,372,464,508,516,522,530,542,550,554,659,686,727,762,777,785,948,960,968 +0415_00343 21,96,101,134,145,207,327,333,406,421,487,550,593,635,716,761,802,948,968,987,999 +0415_00344 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0415_00345 20,96,111,130,134,145,146,153,251,300,321,333,347,405,406,421,487,508,527,549,550,640,727,728,740,761,812,933,948,968,987,993 +0415_00346 20,55,61,128,168,207,243,259,347,431,464,484,504,508,516,570,645,681,727,754,756,762,787,802,837,915,945,948,957,970,998,1015 +0415_00347 52,78,96,134,139,196,245,391,425,487,503,506,508,550,577,662,773,786,797,830,834,843,846,902,936,968,985,1000 +0415_00348 8,15,89,96,134,145,156,316,333,406,416,421,441,487,550,761,772,828,833,953,968,987 +0415_00349 9,15,20,62,63,89,94,96,115,134,145,147,153,160,178,190,207,223,231,237,258,270,284,296,347,408,420,421,461,475,478,487,505,508,516,518,524,544,550,551,588,596,612,619,626,647,663,664,673,677,727,729,741,752,764,771,772,776,786,802,827,851,863,902,935,948,964,968,971,981,994,1007,1009,1014 +0415_00350 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0415_00351 20,29,112,134,151,176,298,300,308,347,487,508,515,549,550,586,626,640,676,727,781,792,840,873,897,898,948,968,1004,1011,1023 +0415_00352 20,29,74,83,96,100,134,205,223,254,268,274,281,300,334,341,355,431,452,465,481,487,508,515,524,550,554,561,566,598,612,625,626,640,676,727,779,803,833,839,865,906,947,968,972,1006 +0415_00353 17,39,96,134,145,153,240,263,321,333,406,421,487,550,637,728,749,761,812,909,912,968,987,995,1009 +0415_00354 31,34,134,153,182,220,304,331,367,481,487,546,550,653,705,719,776,781,829,845,887,945,948,968,976,994 +0415_00355 15,34,59,73,89,96,132,134,141,145,153,180,237,298,321,333,406,421,461,487,489,510,550,553,562,566,604,720,728,761,782,796,812,819,853,968,987,1008,1023 +0415_00356 25,96,97,131,134,144,153,191,196,207,220,238,242,247,254,425,439,487,524,550,578,600,612,658,670,721,728,740,773,802,835,839,846,911,948,960,968,985,1006 +0415_00357 20,96,111,130,134,145,146,153,240,321,333,343,347,379,405,406,421,487,505,508,516,544,550,640,663,727,728,761,812,919,948,968,987,993,994 +0415_00358 56,84,120,134,152,220,325,405,449,513,543,598,638,649,662,794,926,948,957,968 +0415_00359 26,57,62,153,177,186,271,345,347,430,447,467,492,508,626,692,763,778,815,826,948,954,994 +0415_00360 20,72,94,96,129,134,160,169,241,272,322,335,336,405,456,474,487,508,524,540,543,548,550,603,626,635,652,654,662,714,727,746,759,794,885,897,900,936,947,963,968,1016 +0415_00361 20,96,101,134,145,153,207,310,333,347,373,379,406,408,421,487,505,508,529,544,550,593,663,669,707,727,761,802,822,863,880,948,968,987,990,994,999 +0415_00362 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0415_00363 34,43,57,96,109,134,145,260,347,421,449,487,492,508,550,575,593,626,636,685,692,868,954,956,968 +0415_00364 15,26,29,92,95,110,134,151,201,219,245,267,299,379,383,391,396,426,461,465,473,481,497,505,508,515,550,563,567,592,626,640,654,656,676,703,707,716,748,759,840,887,907,911,927,936,946,947,963,968,1001 +0415_00365 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0415_00366 4,18,20,39,52,91,97,134,141,142,144,151,153,159,170,183,207,221,226,241,255,270,280,281,304,325,341,343,345,347,360,364,368,384,390,391,430,433,439,442,481,493,508,513,515,516,549,550,554,562,565,568,569,600,608,626,695,704,705,706,709,717,727,733,738,754,764,778,800,802,816,871,888,908,917,933,944,948,968,977,985,988,989 +0415_00367 14,20,52,58,63,94,97,134,153,207,220,263,292,338,342,347,400,402,416,457,508,549,597,605,614,626,638,649,654,670,719,727,735,745,773,802,839,883,884,912,948,949,968,983 +0415_00368 20,24,94,106,107,134,144,153,164,207,221,263,270,281,350,373,378,502,508,517,550,588,611,626,647,727,744,788,802,873,898,948,968,977,1006 +0415_00369 32,45,51,90,134,144,153,161,198,206,207,214,260,292,313,326,346,347,390,434,474,550,576,626,727,728,732,779,800,812,845,863,943,948,968,977 +0415_00370 13,20,52,92,97,134,146,153,164,182,207,220,236,243,261,292,338,341,347,367,402,413,480,487,508,523,546,549,550,555,597,609,626,656,670,710,713,719,727,745,776,781,802,818,839,844,854,898,945,948,949,968,973,976,983,994 +0415_00371 15,17,49,52,95,96,134,150,182,227,277,317,461,487,503,506,550,662,712,722,748,776,786,797,809,820,950,968 +0415_00372 20,59,96,105,134,141,145,153,251,300,321,333,347,370,406,421,487,497,508,530,549,550,589,630,640,723,727,728,743,761,778,781,806,812,814,819,822,948,968,987 +0415_00373 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0415_00374 20,34,52,62,123,134,136,144,153,161,220,230,278,280,321,335,342,347,367,373,430,467,495,508,515,516,530,544,549,550,574,583,638,673,679,715,727,797,819,893,913,931,948,968,970,1017 +0415_00375 96,112,120,134,145,153,241,271,292,321,331,333,392,405,406,421,487,548,550,580,585,605,670,676,728,746,761,812,951,953,968,969,987 +0415_00376 15,20,26,34,67,89,136,146,152,153,160,251,272,300,347,370,385,452,497,499,508,524,530,549,556,582,589,639,640,662,686,706,727,748,762,778,806,814,819,844,873,902,918,948,982 +0415_00377 20,26,58,79,97,134,153,220,270,374,445,487,508,515,516,550,594,686,708,727,740,771,781,783,802,864,897,898,930,945,948,968,994,999 +0415_00378 20,29,37,68,134,156,230,253,298,330,339,353,508,515,550,555,626,640,676,713,727,867,947,955,968 +0415_00379 5,15,20,21,25,26,89,117,120,134,148,153,161,165,177,214,222,245,255,285,288,302,308,315,326,351,357,358,399,406,408,490,492,499,500,508,513,566,572,574,579,585,603,614,626,635,647,656,727,735,742,763,772,855,863,898,926,936,948,968,973,981,988,1014,1022 +0415_00380 20,130,144,190,193,243,259,306,347,442,508,516,543,550,570,598,631,645,727,787,833,834,850,855,915,948,970,977,995,998,1014,1015 +0415_00381 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0415_00382 15,18,63,67,80,96,134,139,153,155,178,190,207,224,231,233,316,347,360,400,408,430,434,485,487,516,550,552,577,580,616,657,705,716,725,735,739,764,773,781,782,793,802,812,935,947,948,954,957,968,970,978,979,998 +0415_00383 61,96,103,118,134,145,153,241,265,315,321,333,381,406,421,481,487,529,550,683,696,699,719,728,746,761,812,887,945,951,968,986,987 +0415_00384 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0415_00385 20,78,96,134,139,145,278,300,347,381,421,462,482,487,508,516,530,549,550,626,659,673,723,727,948,968,970,1022 +0415_00386 20,24,94,107,134,139,153,207,230,263,270,281,298,350,378,508,517,541,550,558,569,588,609,611,626,647,677,727,744,754,802,948,968,989 +0415_00387 5,20,22,29,75,94,107,115,134,207,234,263,271,350,378,384,444,508,515,517,550,577,606,626,640,647,676,727,735,802,822,849,947,948,962,966,968,1001 +0415_00388 96,123,134,162,227,245,272,487,503,506,508,516,542,546,550,654,662,698,714,741,778,786,797,827,937,968 +0415_00389 96,134,138,145,153,167,241,270,281,321,333,339,406,421,487,550,556,575,612,626,670,712,728,737,746,754,761,800,812,818,861,905,919,951,968,987,1004,1013 +0415_00390 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0415_00391 20,31,94,129,134,169,175,220,343,456,508,522,542,550,626,635,686,727,897,947,948,968 +0415_00392 11,20,37,51,62,93,129,134,140,146,153,174,197,230,261,278,293,300,347,350,363,405,407,439,482,506,508,515,516,549,550,577,596,609,615,626,662,669,696,698,702,717,727,797,818,847,875,884,915,948,968,970,975,994 +0415_00393 20,26,94,134,169,220,454,456,487,508,515,550,619,626,652,686,727,771,781,783,802,897,898,948,968,999 +0415_00394 4,5,15,20,21,33,34,56,75,89,111,117,120,123,134,135,151,164,170,175,177,196,199,201,212,245,247,254,260,269,272,278,300,310,317,331,347,350,351,352,354,378,380,393,394,401,421,437,438,442,467,469,475,505,506,508,515,517,524,549,550,551,566,626,631,652,654,662,664,666,677,686,692,705,718,719,722,727,744,747,762,778,797,800,803,804,812,833,842,897,911,937,948,957,964,968,978,1011,1022 +0415_00395 96,134,145,160,234,333,371,406,421,487,494,533,550,572,761,968,987 +0415_00396 15,20,24,39,58,75,77,83,89,94,95,110,120,134,153,180,207,216,220,231,235,251,254,260,298,299,318,319,324,340,347,390,391,441,452,464,477,480,502,508,511,512,525,540,541,577,626,680,727,762,766,767,779,783,802,814,819,821,863,899,904,915,923,928,936,937,948,953,957,964,968,979,994,1008 +0415_00397 14,28,33,51,53,58,75,134,153,193,207,292,336,399,405,407,435,468,516,520,531,580,600,613,615,802,848,915,917,918,925,948,953,994,1000,1015 +0415_00398 1,15,20,26,29,33,68,89,90,134,137,158,214,222,237,245,251,266,276,311,315,325,327,332,336,350,356,377,388,400,451,467,492,493,499,508,515,550,566,567,626,640,676,716,733,760,769,772,830,879,908,936,942,947,948,964,968,1008,1011,1022 +0415_00399 40,52,57,68,96,134,145,153,212,256,347,352,374,421,468,487,508,538,549,550,618,716,818,901,906,948,954,968 +0415_00400 20,37,51,96,129,134,140,145,153,197,230,278,298,300,347,350,365,369,390,405,407,410,421,453,482,487,506,508,515,516,548,549,550,555,596,609,615,626,635,662,669,696,717,727,754,797,875,897,898,927,948,968,970,1011,1017 +0415_00401 1,2,9,15,20,64,67,89,94,96,98,134,135,137,144,145,150,153,161,162,175,193,207,214,231,250,256,258,305,328,350,373,390,396,416,421,431,463,487,507,508,522,524,550,565,603,626,647,673,678,694,709,720,727,762,772,778,784,787,799,837,863,941,948,953,968,977,994,996 +0415_00402 62,96,134,145,153,241,270,321,322,333,406,421,487,550,588,665,712,728,746,754,761,812,818,951,968,987,1004 +0415_00403 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0415_00404 15,62,89,123,132,140,141,153,209,231,298,438,461,484,562,623,658,659,721,761,778,782,798,826,886,948,994,1023 +0415_00405 84,96,134,146,196,261,354,400,405,422,487,550,553,577,596,751,773,800,835,846,872,968,985 +0415_00406 20,59,68,94,96,114,117,123,134,162,211,227,245,272,456,487,490,503,506,508,511,542,550,584,626,639,648,654,662,698,714,727,741,781,786,797,826,827,828,928,939,968,1023 +0415_00407 40,57,96,134,145,153,266,374,421,468,487,489,508,538,548,550,618,830,901,948,954,964,968,994 +0415_00408 14,28,58,85,134,144,153,237,240,260,272,328,362,405,435,451,468,469,494,508,516,523,531,613,676,714,739,740,918,948,961,977,994,999,1000,1022,1024 +0415_00409 20,84,93,96,134,145,151,153,167,188,207,212,213,247,275,319,347,363,387,394,395,405,421,487,505,508,524,544,548,550,601,606,647,663,704,727,741,747,771,785,786,802,808,878,925,948,968,994 +0415_00410 20,22,96,111,130,134,144,145,146,153,296,320,321,333,347,405,406,421,487,508,550,640,684,727,728,753,761,777,812,884,948,968,977,987,993 +0415_00411 20,134,138,151,153,219,347,394,505,508,544,550,620,626,635,640,663,665,676,699,727,733,736,878,897,947,948,966,968,994 +0415_00412 20,59,96,105,134,141,145,153,157,234,307,317,321,333,347,391,406,421,430,487,508,544,550,701,723,727,728,743,761,762,774,778,812,819,822,886,948,968,987,989 +0415_00413 30,59,62,96,105,134,141,145,153,321,333,406,421,441,484,487,550,728,743,761,778,812,819,826,948,968,987,994 +0415_00414 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0415_00415 20,31,52,62,68,89,94,96,123,134,145,146,153,165,177,210,211,213,220,223,231,254,261,270,272,281,334,335,347,352,362,367,383,402,405,410,451,454,456,470,478,487,503,508,515,524,527,543,550,555,559,585,595,596,612,615,626,629,654,656,658,664,686,714,716,727,786,808,823,829,834,839,855,872,889,928,934,936,940,948,958,963,968,994,1002,1006,1012,1022 +0415_00416 36,85,117,134,144,278,349,508,550,628,670,700,712,737,773,778,825,850,897,905,948,964,968 +0415_00417 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0415_00418 3,4,9,15,20,26,31,33,35,37,49,54,55,61,67,71,89,112,113,114,120,134,141,144,145,150,153,155,156,179,186,197,201,206,207,223,230,241,245,249,254,260,265,278,285,299,309,318,320,325,339,341,344,345,347,348,350,358,371,385,405,406,420,421,435,461,466,467,473,485,488,499,508,511,527,534,536,540,549,563,568,602,608,612,626,637,640,649,651,670,678,696,698,707,719,723,724,726,727,728,762,763,780,791,797,802,819,824,830,844,850,855,869,883,885,886,890,911,936,948,964,965,968,974,982,1015 +0415_00419 62,96,114,117,134,145,153,243,248,270,404,421,487,550,556,588,626,666,670,674,677,948,968 +0415_00420 20,90,94,97,98,107,144,179,207,241,296,316,347,419,465,508,516,540,603,626,727,739,753,777,802,945,948,970,977,1016 +0415_00421 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0415_00422 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0415_00423 11,18,20,96,117,134,145,153,321,333,363,406,421,487,505,533,550,600,634,663,698,728,757,761,762,812,850,948,968,987 +0415_00424 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00425 3,4,134,164,178,198,347,408,437,487,549,550,555,705,729,744,778,781,948,968 +0415_00426 48,57,62,96,134,145,153,270,301,312,347,410,421,447,487,492,508,550,588,626,629,654,692,725,763,915,954,968 +0415_00427 15,17,54,78,89,96,126,131,134,146,196,207,210,217,233,237,360,376,405,425,473,487,509,516,550,596,615,653,754,763,772,773,788,846,870,872,900,929,968,970,979,985 +0415_00428 52,78,96,134,155,196,201,322,323,425,450,487,503,506,550,600,662,762,771,773,786,797,820,834,846,968,985 +0415_00429 38,62,96,134,145,153,186,201,224,249,270,410,421,470,487,504,550,588,612,718,778,796,826,833,879,947,948,968,994,1002 +0415_00430 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0415_00431 39,49,96,110,134,136,139,145,153,193,207,211,232,281,363,381,421,472,487,515,516,527,530,550,593,675,714,787,802,824,872,907,915,938,948,968,971,1022 +0415_00432 20,62,67,96,111,130,134,145,146,153,240,270,321,333,347,379,405,406,421,472,487,508,544,550,584,588,629,640,648,725,727,728,761,812,864,915,968,987,993 +0415_00433 44,79,93,134,138,226,242,271,304,353,417,453,474,508,515,550,626,637,640,657,697,709,792,819,937,968,989,990,1023 +0415_00434 9,19,20,38,68,92,94,96,133,134,146,149,170,172,181,196,226,232,233,236,259,353,369,392,405,442,444,448,456,461,487,496,508,515,516,528,532,550,580,585,605,626,632,640,662,670,672,717,727,733,744,748,753,776,796,809,815,842,863,879,928,968,992 +0415_00435 1,15,20,96,103,134,183,254,268,309,310,341,404,440,481,487,491,498,507,508,524,550,612,727,833,845,906,968,972,1006,1022 +0415_00436 20,22,51,89,96,117,134,144,145,160,165,187,212,250,252,261,286,298,318,352,421,422,452,487,541,543,550,626,635,670,691,696,700,701,737,773,778,812,897,898,905,923,948,953,968 +0415_00437 20,27,55,58,96,115,134,145,153,333,347,393,406,421,487,505,544,550,646,658,663,701,761,845,917,948,968,976,987,994,1010,1022 +0415_00438 5,49,59,96,134,141,145,153,207,231,321,333,406,421,487,550,551,728,741,761,802,812,819,859,895,948,968,987,992 +0415_00439 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0415_00440 3,5,15,38,96,134,146,175,196,207,217,226,227,298,310,376,381,405,425,461,487,524,532,550,596,615,728,749,753,773,776,837,845,846,872,931,968,969,979,985 +0415_00441 20,21,56,112,134,138,153,243,277,304,328,334,353,415,417,420,453,472,508,515,545,596,605,626,640,654,657,668,670,688,707,710,713,714,727,749,752,774,819,825,835,850,852,881,909,937,948,959,968,985,989,994,995 +0415_00442 20,68,96,134,145,153,226,258,275,298,328,353,414,421,487,508,516,539,550,555,563,570,580,599,626,640,727,746,897,898,908,968,972,1011,1018 +0415_00443 51,96,134,145,153,167,241,260,270,281,321,333,347,358,406,421,459,487,505,550,664,712,728,746,750,754,761,800,812,818,820,934,948,951,968,987,994,1004 +0415_00444 62,77,153,283,299,424,436,481,556,662,755,778,781,826,864,913,948,994 +0415_00445 15,40,67,75,89,96,97,125,134,153,174,175,189,191,196,197,220,237,242,254,263,308,316,329,349,392,425,439,443,462,468,473,482,487,515,524,548,550,560,577,594,612,658,666,686,694,719,726,739,772,773,835,836,846,868,872,915,929,948,954,956,960,964,968,985,1006,1008,1015 +0415_00446 20,43,96,134,181,190,207,243,334,347,380,402,408,487,502,508,516,520,550,557,563,570,585,606,705,727,781,802,925,948,968,970,979,998,1008,1011 +0415_00447 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0415_00448 15,26,29,52,92,95,96,110,134,219,245,267,272,350,357,379,396,425,461,465,473,487,497,505,508,515,550,556,592,626,640,654,656,676,703,707,714,739,748,759,911,925,927,936,946,947,963,968,984,1001 +0415_00449 15,89,111,131,134,144,153,194,207,214,232,260,270,281,290,413,444,456,461,469,493,500,504,524,550,558,632,763,764,773,780,802,831,850,861,863,903,934,948,968,974,977,985,989,994,1000 +0415_00450 8,20,57,96,118,134,145,150,180,194,213,217,241,272,278,318,326,359,374,391,392,405,423,444,448,449,454,487,496,508,516,524,550,580,585,605,610,626,631,632,640,641,654,670,686,702,714,727,798,816,829,832,842,889,948,965,968 +0415_00451 33,53,75,134,193,207,336,399,405,407,516,520,531,580,613,615,802,848,902,915,917,918,925,948,953,1015 +0415_00452 47,96,120,134,142,145,204,207,213,220,221,229,245,315,353,421,459,487,508,524,527,550,564,572,588,603,610,612,632,686,737,779,802,943,948,968,1000 +0415_00453 11,17,20,74,78,95,133,134,146,153,172,220,236,343,347,440,461,505,508,516,522,532,533,539,542,544,549,550,603,663,686,713,727,879,948,968,970,994 +0415_00454 4,35,62,86,146,153,156,157,236,249,281,283,298,347,430,508,556,609,626,662,755,777,778,781,826,917,948,994 +0415_00455 3,15,26,127,134,135,166,222,237,245,246,385,461,484,490,508,634,668,687,788,883,925,973,1012,1022 +0415_00456 62,141,153,438,446,484,503,533,721,761,778,798,826,948,994 +0415_00457 15,37,63,64,84,96,114,123,134,144,153,155,183,223,242,254,312,348,429,433,434,455,456,463,482,487,489,550,557,560,577,616,626,644,657,670,674,719,725,739,768,781,850,880,909,925,928,929,935,945,948,968,977 +0415_00458 14,28,58,75,134,144,153,191,237,240,292,399,405,435,468,516,531,580,600,613,615,676,689,714,739,740,915,917,918,948,953,961,977,994,1000,1015 +0415_00459 59,62,96,102,105,134,141,145,153,166,230,270,321,333,347,349,352,406,420,421,430,432,487,550,588,606,629,725,728,743,761,776,778,812,819,854,915,938,968,987 +0415_00460 1,12,15,20,26,42,43,87,134,198,243,326,347,380,408,413,461,487,498,499,508,516,520,532,539,550,570,705,719,727,759,781,782,785,812,824,839,861,946,948,963,968,970,973,998,1011,1012 +0415_00461 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0415_00462 12,15,73,79,84,89,96,108,129,134,145,185,187,192,217,244,245,256,257,268,272,278,282,290,332,380,422,439,442,445,461,487,498,503,504,506,508,512,515,524,540,542,550,555,616,642,652,654,662,664,677,686,714,718,721,722,726,729,741,761,764,786,792,797,842,849,910,922,943,948,950,968,973,997,1012 +0415_00463 9,29,41,75,134,220,367,388,404,515,518,542,550,626,640,650,664,676,772,892,915,941,947,948,968,1015 +0415_00464 20,34,62,134,136,144,153,161,188,220,230,278,321,335,347,367,373,378,430,467,495,496,505,508,515,516,530,544,550,574,583,632,638,673,715,727,776,797,819,867,893,913,931,948,968,970,994,1017 +0415_00465 10,13,20,52,94,97,134,153,164,182,199,207,220,243,261,292,338,347,367,455,487,508,523,546,549,550,555,597,626,638,654,670,713,719,727,745,776,781,802,811,839,884,898,945,948,949,968,976,994 +0415_00466 20,37,51,59,96,129,134,140,145,146,174,197,230,278,300,347,350,370,405,407,421,439,468,482,487,490,506,508,515,516,539,546,549,550,577,596,609,615,626,635,662,669,696,717,727,797,847,871,875,903,915,927,948,968,970,991 +0415_00467 1,7,15,26,29,32,41,67,68,89,110,134,153,158,198,211,222,245,272,274,286,288,323,369,381,401,420,430,467,486,492,499,514,515,535,550,561,607,610,620,626,640,654,671,676,682,707,715,716,723,742,756,772,823,830,835,855,897,909,916,940,947,948,968,975,1004,1014,1022 +0415_00468 1,12,20,26,44,52,58,69,89,96,109,115,117,131,134,135,138,145,153,157,165,207,233,245,248,254,260,273,292,295,300,321,339,347,349,351,356,374,393,405,420,421,424,447,461,463,465,481,487,488,508,515,516,524,529,544,550,552,555,567,575,578,581,589,597,611,626,675,677,690,696,715,719,727,728,732,746,759,761,773,791,802,829,835,845,849,863,868,870,883,887,896,909,922,932,936,948,953,955,968,971,981,982,994,1000,1014 +0415_00469 76,96,117,134,144,145,154,167,177,207,231,286,350,421,484,487,532,550,601,647,670,700,737,773,778,888,905,948,966,968 +0415_00470 1,15,26,57,65,77,89,104,134,158,184,214,222,237,245,292,315,325,336,350,353,369,400,409,419,492,499,508,515,566,567,586,593,626,640,642,666,703,716,726,733,757,772,782,783,828,830,890,908,948,951,968,1013,1014,1022 +0415_00471 20,48,52,67,68,72,94,96,134,153,160,168,211,241,270,272,273,281,282,322,335,336,337,347,400,405,451,456,470,487,502,505,506,508,524,540,543,548,550,596,603,615,626,652,654,658,662,672,700,714,721,725,727,746,750,755,759,781,794,800,808,855,868,872,885,889,928,936,940,948,963,968,971,994,1012,1016 +0415_00472 11,20,36,55,66,68,74,84,90,108,134,146,147,151,153,182,197,199,221,236,258,262,270,278,281,298,300,342,347,351,405,440,461,476,490,508,515,516,531,549,550,553,606,613,634,649,683,686,721,727,749,772,778,817,822,832,834,840,850,868,873,918,948,968,970,992,1018 +0415_00473 96,134,136,139,145,281,381,421,487,516,530,550,620,626,640,676,681,733,824,862,907,915,938,947,968,971,1022 +0415_00474 2,9,10,15,20,67,81,89,94,96,131,134,144,145,146,153,162,167,175,191,207,214,250,253,256,305,310,315,347,363,377,396,421,463,486,487,507,508,510,524,530,550,563,601,603,626,635,647,679,688,694,700,706,724,727,733,763,772,778,802,837,863,897,908,948,957,968,977,989,994 +0415_00475 20,34,62,78,134,136,144,153,161,220,230,278,321,335,347,367,373,434,467,495,505,508,515,516,530,544,550,573,583,663,673,715,727,819,866,913,931,948,968,970,994,1017 +0415_00476 134,260,347,505,549,550,666,778,802,812,948,968,980 +0415_00477 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0415_00478 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0415_00479 38,45,62,126,134,135,144,153,169,178,199,270,281,283,296,326,370,391,453,481,531,550,556,626,637,662,681,755,778,781,786,794,826,931,948,968,977,994,999,1003 +0415_00480 15,75,89,134,144,191,223,237,240,399,405,516,531,580,613,615,640,653,689,714,723,739,740,772,863,900,915,917,918,948,953,961,970,977,997,1015 +0415_00481 20,24,94,107,134,207,263,297,350,378,437,462,476,483,508,517,550,588,611,622,626,635,647,727,784,802,833,897,931,948,968 +0415_00482 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0415_00483 15,20,57,62,72,89,96,134,145,153,170,210,237,238,242,270,294,311,421,473,487,492,495,508,516,550,583,588,606,727,750,754,772,788,821,870,900,912,968,981,999 +0415_00484 1,15,19,20,21,25,26,89,107,117,134,148,214,222,236,245,255,256,267,269,282,285,308,315,338,342,343,351,357,399,401,427,492,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,762,772,819,836,840,841,857,898,936,948,968,995,996,1022 +0415_00485 15,20,33,39,49,68,94,96,111,134,153,175,193,203,207,233,237,242,244,254,270,281,298,304,326,347,366,373,376,432,456,484,487,505,508,515,516,522,524,527,550,584,594,609,612,626,641,655,705,706,711,727,739,750,757,768,787,788,800,802,807,829,866,899,928,929,930,931,948,954,963,968,994,1005,1006,1014 +0415_00486 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00487 3,15,35,41,55,70,89,95,110,120,125,134,143,144,146,152,153,192,196,197,211,224,232,237,239,240,244,245,246,252,254,256,260,265,274,279,294,318,341,347,379,383,407,420,421,435,452,457,461,467,494,507,508,509,531,534,540,543,549,555,566,570,573,603,605,607,644,652,658,663,666,670,672,679,696,698,713,716,725,727,744,749,755,767,772,777,794,797,805,813,827,842,846,876,882,886,899,911,914,925,930,948,951,959,964,968,974,983,990,994 +0415_00488 10,15,26,105,136,146,222,229,237,326,352,499,524,626,778,797,911,948 +0415_00489 1,12,15,20,26,29,60,68,85,89,134,158,222,251,276,285,315,325,336,350,449,454,467,492,493,499,515,550,563,566,567,618,626,640,676,698,716,733,763,769,772,830,879,908,936,947,948,954,968,996,1008,1011,1022 +0415_00490 15,26,60,65,85,89,130,134,148,222,245,285,315,357,360,443,449,454,466,478,486,492,499,508,513,566,585,588,603,607,618,626,676,698,701,705,712,716,732,761,763,769,772,831,847,893,936,938,948,950,954,968,996,1022 +0415_00491 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0415_00492 15,62,67,89,111,153,200,260,283,290,351,461,469,524,556,588,632,662,755,763,774,778,781,826,837,850,861,878,915,948,974,994 +0415_00493 35,57,96,134,145,302,374,421,444,468,487,508,550,626,825,843,901,954,968 +0415_00494 1,15,26,77,89,104,134,149,158,214,222,237,245,260,276,292,315,325,336,347,350,369,400,421,426,470,492,493,499,505,508,515,549,550,566,567,586,666,703,716,726,733,757,769,772,778,782,783,794,812,830,857,908,948,951,968,1011,1014,1022 +0415_00495 3,15,20,26,63,77,84,89,94,96,101,128,134,153,154,155,186,210,233,245,281,295,327,329,338,347,374,406,422,487,492,499,505,508,516,523,524,550,575,577,581,589,606,616,626,648,677,705,709,725,727,739,750,767,770,773,793,800,817,826,841,843,853,866,876,896,935,947,948,951,968,994,1007 +0415_00496 20,110,134,138,151,153,219,226,292,304,347,353,383,417,453,474,481,505,508,515,544,550,626,635,640,657,663,697,714,727,736,819,878,897,937,944,948,968,989,994,1023 +0415_00497 20,85,89,134,136,153,188,220,278,321,343,347,372,378,430,496,505,508,516,522,530,542,544,550,554,574,632,638,659,673,686,727,776,797,867,893,948,968,970,994 +0415_00498 1,15,20,73,84,89,96,111,112,134,139,175,193,204,210,234,237,245,278,309,325,332,347,364,374,385,388,396,400,419,438,439,444,453,473,487,498,508,524,534,550,582,602,686,727,767,772,788,789,816,820,830,878,908,928,949,967,968,979,983,1022 +0415_00499 3,13,15,18,20,24,27,32,58,75,83,89,108,120,134,144,153,176,180,216,223,226,245,246,252,260,270,287,297,298,311,317,318,324,326,336,347,452,453,461,464,497,508,514,534,540,585,603,626,637,720,727,748,762,767,797,814,818,843,857,869,878,883,899,923,936,948,956,957,964,965,968,977,979,994,1003,1008 +0415_00500 20,36,44,51,71,94,95,123,134,169,170,176,211,245,258,272,283,353,408,412,418,456,458,480,487,508,515,550,552,626,640,650,654,661,667,683,719,727,781,799,827,853,873,897,968,1022 +0415_00501 40,57,62,96,134,145,153,270,307,374,421,463,468,487,508,538,550,557,585,588,617,618,632,761,901,905,954,968 +0415_00502 15,89,96,134,139,145,203,220,221,222,260,381,387,405,419,421,451,487,496,515,516,530,531,546,550,589,613,648,772,824,880,907,916,932,948,958,968,971,988,999,1003,1013 +0415_00503 62,131,138,153,245,347,349,430,474,507,525,542,634,716,761,861,948,994 +0415_00504 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0415_00505 4,9,20,53,70,84,89,95,96,105,113,134,138,151,168,176,220,234,254,300,304,347,391,417,433,453,487,506,508,549,550,657,662,718,726,727,746,750,775,819,840,908,931,940,948,968,989,1015 +0415_00506 4,20,62,112,134,142,151,153,207,209,225,231,243,283,332,347,399,452,470,483,508,515,549,550,556,576,635,636,658,662,683,684,687,705,709,727,738,755,778,781,790,798,800,826,833,836,897,919,948,968,994 +0415_00507 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0415_00508 7,15,21,25,26,49,60,85,88,89,99,117,134,148,214,222,236,245,255,285,288,308,315,351,357,399,454,469,492,499,508,513,547,566,603,618,626,676,698,742,763,769,772,782,816,877,898,936,948,949,954,968,996,1022 +0415_00509 20,29,37,68,96,134,145,156,230,298,330,353,421,456,487,508,515,516,550,555,626,640,676,713,727,897,898,947,955,968,972,973,1011,1018 +0415_00510 20,80,134,147,223,260,266,300,327,347,367,468,505,508,549,550,666,701,712,727,749,778,812,825,850,870,880,927,948,968,980,1013 +0415_00511 10,15,20,43,89,96,134,170,182,210,220,237,278,294,367,373,377,446,467,473,487,488,492,508,516,526,550,560,685,727,748,750,754,772,788,864,870,900,923,948,968,999 +0415_00512 15,20,21,25,26,31,62,89,102,125,127,134,150,153,197,245,255,269,284,285,290,292,303,315,326,343,384,407,408,413,443,444,450,452,461,477,492,499,508,513,517,523,529,533,547,566,574,626,629,711,712,727,731,768,772,782,790,805,813,819,829,836,839,840,852,880,898,924,926,934,936,948,964,968,974,994,995,1000,1005,1008,1014,1022,1023 +0415_00513 20,43,96,134,182,220,278,367,373,377,405,437,446,467,487,488,508,516,526,550,560,685,727,748,772,948,966,968 +0415_00514 38,96,109,134,145,147,161,256,260,267,347,421,487,511,550,575,616,620,626,640,676,733,812,871,883,947,968 +0415_00515 1,15,26,59,77,86,89,104,134,146,149,158,214,222,236,237,245,260,276,292,315,325,336,347,350,369,400,426,492,493,499,508,515,550,566,567,568,585,586,609,626,635,666,696,703,716,726,733,757,769,772,782,783,787,795,812,830,908,948,951,968,972,1011,1014,1022 +0415_00516 20,31,56,104,134,138,153,173,211,220,292,302,304,328,343,353,369,394,401,417,453,508,515,522,542,550,555,626,635,640,657,686,714,727,752,814,819,897,948,959,968,970,989,1011,1019 +0415_00517 57,62,77,153,508,527,669,757,772,778,826,847,909,948,954,956,994 +0415_00518 14,15,26,31,35,68,89,90,101,134,140,149,158,161,180,192,209,216,222,229,240,245,267,288,315,345,413,448,453,480,492,499,508,522,540,566,567,577,584,587,601,626,656,679,702,716,725,742,746,772,821,828,855,902,909,920,948,984,1009,1014,1022 +0415_00519 1,15,20,26,29,68,77,89,104,134,158,214,222,237,245,251,276,292,315,325,336,350,400,467,492,493,499,508,515,550,566,567,586,626,640,666,676,703,716,726,733,757,769,772,782,783,830,879,908,947,948,951,968,1008,1011,1014,1022 +0415_00520 20,44,60,62,96,134,145,153,186,207,225,231,270,283,292,299,300,347,399,410,421,429,438,455,487,498,504,508,549,550,556,588,592,609,662,683,727,755,778,781,790,820,826,833,836,863,919,948,968,994 +0415_00521 20,62,134,153,207,209,220,225,231,260,277,283,347,399,483,505,508,533,549,550,556,635,636,658,662,666,683,684,687,727,755,778,781,790,812,826,833,836,892,897,919,931,948,968,980,994 +0415_00522 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0415_00523 4,32,51,62,74,96,98,106,134,144,145,153,161,186,209,214,255,259,260,270,296,300,347,393,398,400,410,414,418,421,430,441,481,482,487,504,526,550,588,616,659,718,754,776,800,812,833,862,863,867,883,919,947,948,963,968,977,984 +0415_00524 7,14,15,21,25,26,49,88,89,117,134,148,214,222,236,241,245,255,288,308,315,320,343,351,357,375,399,453,492,499,508,513,547,566,603,605,626,656,664,671,718,742,772,782,816,825,855,898,948,949,968,1014,1022 +0415_00525 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 +0415_00526 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00527 57,62,96,134,145,153,270,329,361,421,463,487,508,550,585,588,761,772,831,837,954,956,968 +0415_00528 7,14,15,21,25,26,49,88,89,101,117,134,140,148,161,209,214,216,222,236,240,245,255,267,288,308,315,351,357,399,448,492,499,508,513,547,562,566,577,601,603,610,626,656,671,742,772,782,816,825,855,898,909,948,949,968,984,1009,1014,1022 +0415_00529 20,44,62,96,134,145,153,186,207,225,231,248,262,270,283,347,399,408,410,421,429,438,455,487,498,500,504,505,508,544,550,556,588,609,662,663,683,727,755,778,781,790,820,826,833,836,863,907,919,948,968,994 +0415_00530 1,20,31,68,77,90,96,128,134,181,193,211,230,253,260,277,283,298,300,339,347,353,421,487,505,508,515,549,550,555,626,640,675,727,778,812,867,948,955,968,971 +0415_00531 19,20,26,29,32,35,40,42,43,51,55,82,89,112,119,125,131,134,135,143,162,186,197,215,220,225,233,243,245,254,258,260,268,275,276,277,298,314,318,328,330,347,368,391,397,405,452,461,467,485,499,502,505,506,508,513,524,534,535,542,545,549,552,562,570,571,575,580,582,586,589,590,596,598,603,607,612,615,624,625,626,629,633,640,649,657,662,677,683,684,700,706,710,719,727,736,738,740,756,762,768,780,810,814,822,826,828,842,846,877,884,886,899,909,934,935,936,945,948,963,965,968,969,971,979,982,983,998,1016 +0415_00532 2,15,20,41,58,89,97,153,207,233,260,270,281,317,347,433,458,474,508,510,516,525,582,640,686,727,728,737,772,802,821,832,836,922,938,948,964,993,994 +0415_00533 20,22,38,63,94,96,107,109,134,145,146,161,167,207,256,260,263,274,331,347,378,421,452,487,508,511,515,517,550,575,626,647,649,727,781,802,807,833,871,892,948,962,968 +0415_00534 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 +0415_00535 62,67,69,134,142,153,178,183,189,200,245,254,283,313,342,388,452,508,524,556,632,638,662,707,755,773,778,781,826,848,884,948,968,994 +0415_00536 9,20,49,90,97,98,134,207,220,241,300,330,343,347,350,354,469,490,497,502,508,516,522,540,542,550,559,580,593,596,647,656,686,715,727,739,802,850,909,917,922,948,962,968,970 +0415_00537 19,23,32,51,62,85,96,109,134,145,153,170,260,283,296,347,365,371,400,421,430,457,487,516,526,550,556,575,662,718,723,754,755,778,781,800,826,829,833,919,948,951,968,994 +0415_00538 13,15,26,65,86,89,124,130,134,148,150,153,161,180,209,222,240,244,245,267,283,288,306,315,357,359,360,442,443,464,466,486,492,508,513,559,566,577,585,588,603,626,701,705,712,716,761,762,772,831,847,855,893,904,909,938,948,950,968,994,1009,1022 +0415_00539 4,14,20,31,38,47,57,61,96,117,128,132,133,134,144,146,149,153,172,181,214,222,236,259,282,296,321,322,326,334,335,347,366,405,408,424,430,438,461,487,493,504,508,512,516,519,532,534,549,550,580,585,595,597,605,613,626,640,661,666,705,716,717,738,744,778,780,800,809,831,863,867,875,891,906,923,948,960,968,976,977 +0415_00540 75,96,107,134,146,186,196,217,376,405,425,444,487,489,550,558,596,615,666,739,773,846,872,915,923,948,968,979,985,1015 +0415_00541 45,96,101,134,145,259,282,287,333,351,374,406,421,429,468,487,516,550,620,627,739,761,901,915,928,930,954,965,968,987,1018 +0415_00542 4,14,32,62,74,96,98,99,115,134,144,145,153,182,186,201,220,255,259,260,270,296,347,363,367,381,398,400,410,414,421,430,441,465,482,487,502,504,515,550,582,588,616,633,659,674,704,718,754,776,791,800,812,833,867,883,919,925,947,948,963,968,977,984 +0415_00543 20,53,73,89,105,130,134,138,151,153,168,206,220,236,242,254,255,300,347,380,391,417,432,433,453,455,487,505,506,508,515,526,544,549,550,587,590,637,657,662,663,708,709,718,726,727,746,748,749,781,840,858,878,931,948,968,989,994 +0415_00544 6,49,144,153,183,207,216,373,420,462,472,616,626,633,757,802,816,909,948,977 +0415_00545 90,93,96,134,146,153,186,196,217,372,376,380,382,405,420,425,441,444,487,489,550,564,596,615,623,666,753,773,774,802,818,835,840,846,850,872,909,915,968,979,985 +0415_00546 26,49,63,96,100,134,185,194,209,220,251,272,445,487,499,503,511,545,550,559,602,612,649,654,662,714,762,777,786,797,948,957,968,993 +0415_00547 14,15,20,26,47,56,88,89,134,148,158,186,214,222,245,260,272,280,285,288,300,308,326,357,360,363,399,475,492,499,508,513,559,566,567,568,626,630,647,656,699,727,762,772,776,782,788,825,830,848,855,898,916,928,938,942,948,964,968,982,1014,1022 +0415_00548 15,20,63,67,80,89,96,102,134,153,155,174,185,189,207,224,233,347,365,408,440,441,487,508,545,550,577,616,657,658,670,699,705,707,716,725,727,739,764,781,802,852,935,947,948,951,968,979,994 +0415_00549 13,15,44,68,73,89,92,93,95,96,134,145,150,159,245,272,282,296,348,362,380,416,421,461,477,487,508,534,540,550,555,575,592,654,657,689,714,763,807,903,968 +0415_00550 20,45,62,76,96,102,131,138,147,153,181,183,207,229,239,283,292,308,347,349,360,370,371,390,430,497,508,530,542,544,556,587,600,625,626,640,662,700,718,727,748,755,761,778,779,781,826,831,833,837,918,919,932,948,954,987,994,1007,1019 +0415_00551 20,26,39,62,70,87,90,91,96,97,112,114,128,134,137,144,145,153,204,206,207,220,223,230,241,270,310,316,322,338,346,347,355,372,382,386,387,389,390,395,400,405,421,430,469,487,497,505,508,510,516,540,543,544,550,558,559,577,588,598,599,615,626,649,656,670,704,710,725,727,731,733,739,747,751,759,772,773,779,798,800,802,812,873,883,917,923,943,948,953,968,970,983,989,1011,1023 +0415_00552 20,68,90,128,134,193,230,253,260,277,298,339,347,353,421,505,508,515,549,550,555,626,640,727,778,812,867,948,955,968,971 +0415_00553 4,32,62,74,96,98,99,134,145,153,157,186,255,259,266,270,283,347,400,410,414,421,430,487,504,550,556,588,603,606,616,659,662,718,754,755,776,778,781,826,833,883,919,948,968,994 +0415_00554 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00555 67,96,109,134,138,145,207,260,307,308,339,347,349,421,470,487,502,550,575,581,626,634,649,761,802,855,896,948,953,968,981 +0415_00556 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0415_00557 1,20,30,31,45,68,96,128,134,151,153,159,165,181,207,211,231,254,283,292,347,353,390,427,476,487,508,544,550,567,589,626,640,661,671,675,705,720,727,784,802,807,938,948,968,994,1006 +0415_00558 20,153,198,207,256,264,324,343,347,372,378,398,401,408,479,487,505,508,511,544,549,640,663,701,727,748,752,754,762,777,790,795,800,820,863,915,948,954,967,994 +0415_00559 15,20,62,67,91,153,166,200,224,283,389,449,485,495,515,524,556,617,623,630,631,632,657,662,707,723,740,755,778,781,826,907,948,968,994 +0415_00560 1,20,31,68,77,96,134,145,181,211,230,283,298,353,390,421,456,487,508,516,550,555,626,640,675,727,897,898,968,972,1011,1018 +0415_00561 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0415_00562 20,52,96,105,134,145,153,158,174,182,183,223,231,232,236,259,278,300,347,366,370,396,414,421,429,467,468,474,482,487,490,506,508,515,516,539,541,549,550,577,635,651,713,717,727,758,760,763,770,780,788,845,853,871,892,903,915,927,948,968,970,986,991,1000,1013 +0415_00563 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0415_00564 10,13,52,78,96,134,196,220,336,425,487,499,503,506,516,550,662,708,773,786,797,834,846,968,985 +0415_00565 1,8,20,31,55,68,96,101,129,134,153,211,219,220,259,260,287,297,315,334,335,336,347,359,367,368,479,482,487,508,515,516,517,542,549,550,570,600,621,637,641,670,686,694,696,705,710,719,725,727,767,779,800,802,857,889,945,948,955,968,993,998 +0415_00566 1,12,15,26,55,60,62,89,96,129,134,145,149,153,158,222,254,260,270,275,276,285,299,315,325,336,347,350,369,390,395,421,426,487,492,493,499,515,540,550,562,566,567,573,580,582,588,625,626,629,641,716,725,730,733,769,772,793,799,800,812,830,836,849,860,873,883,908,915,936,948,958,964,968,1011,1022 +0415_00567 20,68,90,96,128,134,145,193,230,260,277,298,347,353,421,456,487,505,508,515,516,549,550,555,626,640,727,778,812,897,898,948,955,968,971,972,973,1011,1018 +0415_00568 20,26,44,62,96,113,134,136,145,153,157,186,207,225,231,270,283,343,347,391,399,410,421,429,430,438,455,487,498,500,504,508,544,550,556,588,609,662,683,727,755,778,781,790,820,826,833,836,860,863,907,919,948,968,990,994 +0415_00569 20,96,134,140,145,153,298,347,367,404,411,414,420,421,444,483,484,487,498,505,508,521,544,550,564,596,660,663,727,835,856,897,898,909,927,948,968,993,994 +0415_00570 7,20,94,96,134,140,145,261,298,411,420,421,483,484,487,508,550,585,596,626,660,719,727,798,835,897,898,909,927,968,993 +0415_00571 14,15,20,26,47,56,88,89,134,148,174,186,211,212,214,222,245,260,272,288,300,308,347,357,360,380,399,492,499,508,513,518,559,566,567,568,619,630,651,656,699,724,727,746,762,764,772,778,782,788,825,830,848,886,898,916,928,938,942,945,948,964,968,1014,1022 +0415_00572 43,93,96,134,146,153,186,196,217,372,376,405,425,441,444,487,489,550,596,615,666,695,704,773,774,846,872,915,937,948,968,979,985,994 +0415_00573 1,7,15,20,21,25,26,49,60,88,89,99,117,134,148,214,222,236,245,255,282,285,288,308,314,315,338,342,351,357,399,423,492,499,508,513,547,566,603,615,618,633,698,727,742,744,762,772,782,816,843,857,877,898,948,949,968,1022 +0415_00574 20,30,96,134,140,145,153,165,207,231,254,292,298,347,353,367,390,411,414,420,421,427,444,476,483,484,487,508,521,544,550,564,567,589,596,626,660,661,694,720,727,802,835,897,898,909,927,938,948,963,968,993,994 +0415_00575 15,96,134,146,159,173,175,186,196,217,218,227,265,286,298,310,336,356,370,376,381,405,425,444,461,487,489,507,524,550,595,596,615,623,666,760,773,793,837,846,872,911,915,968,979,982,985,998 +0415_00576 8,36,134,138,144,179,214,226,278,304,343,353,417,434,453,474,508,515,518,550,576,626,640,657,697,732,815,819,863,937,948,968,977,989 +0415_00577 56,79,134,138,144,242,244,304,308,328,357,361,417,426,453,504,508,515,580,626,637,640,657,688,713,791,799,819,851,948,968,977,987,989 +0415_00578 62,131,138,153,229,345,347,349,430,507,525,634,644,761,778,826,861,887,913,948,994 +0415_00579 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00580 49,62,92,131,138,153,207,292,347,349,385,525,555,569,634,635,761,802,948 +0415_00581 96,109,134,138,145,255,260,347,349,421,487,510,550,575,581,590,626,634,649,761,953,968,981 +0415_00582 20,57,96,101,134,140,145,184,192,220,225,367,374,377,386,421,468,487,508,511,515,550,576,613,649,659,686,727,814,865,875,901,948,954,968,994,1019 +0415_00583 15,20,62,89,96,114,134,145,146,153,166,170,210,234,237,243,270,287,421,470,472,473,487,492,508,516,550,587,588,670,674,707,727,750,754,772,776,788,870,895,900,968,1011,1017 +0415_00584 85,131,134,138,153,157,180,242,260,347,382,385,412,417,452,453,471,505,508,550,578,581,589,604,637,657,709,761,771,792,812,940,948,953,968,989,994 +0415_00585 73,89,96,134,145,158,245,272,380,421,487,488,498,508,532,550,573,592,602,654,714,726,754,756,924,946,968 +0415_00586 37,57,71,144,153,207,216,248,251,348,473,508,532,565,626,692,718,773,802,834,895,948,954,977,979 +0415_00587 13,84,96,134,145,333,406,412,421,487,550,572,578,609,633,761,789,968,987 +0415_00588 9,85,131,134,153,157,202,207,220,260,271,347,352,405,412,471,473,505,515,518,538,578,586,613,616,646,669,686,707,709,725,761,770,779,802,932,940,948,952,953,968,988,994 +0415_00589 15,83,134,159,195,245,298,335,461,508,521,534,550,603,656,735,936,946,968,973,1012 +0415_00590 1,14,15,26,51,89,101,134,140,149,158,161,209,216,222,240,260,267,276,288,315,325,336,347,350,369,421,426,448,453,470,492,493,499,505,515,522,549,550,566,567,577,601,626,656,716,733,769,772,778,794,812,830,850,855,857,908,909,948,968,984,1009,1011,1014,1022 +0415_00591 96,110,134,136,139,145,281,381,421,487,516,530,550,824,907,915,938,968,971,1022 +0415_00592 15,20,44,47,112,134,144,151,153,175,219,262,296,311,343,347,355,361,383,390,479,487,488,503,505,508,515,524,534,544,550,566,575,626,663,727,736,753,777,781,792,842,846,858,878,897,898,931,943,948,968,977,994,998,1023 +0415_00593 62,68,131,138,153,217,345,346,347,349,430,507,525,606,634,727,747,754,761,776,778,826,861,867,924,948,994,1000 +0415_00594 10,39,63,89,96,134,183,245,272,323,353,405,476,481,487,494,498,508,515,536,550,561,572,573,577,602,606,613,625,626,640,654,675,714,716,726,760,860,889,924,935,968,990,995,1012 +0415_00595 15,19,20,26,35,44,89,131,134,140,143,153,175,194,220,225,240,245,252,255,347,370,373,401,414,415,425,448,456,469,478,499,500,508,531,534,540,555,582,663,689,727,734,749,762,771,850,908,909,918,948,1009 +0415_00596 62,141,153,283,376,386,438,446,484,503,533,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00597 4,35,62,86,146,153,156,157,236,249,281,283,298,347,430,508,556,609,626,662,755,777,778,781,826,917,948,994 +0415_00598 20,45,62,76,96,102,131,138,147,153,181,183,207,229,239,283,292,308,347,349,360,370,371,390,430,497,508,530,542,544,556,587,600,625,626,640,662,700,718,727,748,755,761,778,779,781,826,831,833,837,918,919,932,948,954,987,994,1007,1019 +0415_00599 19,62,96,98,134,145,153,170,186,255,259,270,283,365,400,410,421,487,504,516,550,556,565,588,662,718,721,755,778,781,826,833,883,919,948,968,994 +0415_00600 86,124,134,156,208,220,223,226,283,297,310,343,353,357,405,426,427,452,485,515,524,542,550,618,626,638,640,654,665,686,744,768,792,802,913,948,968,1006 +0415_00601 20,48,57,62,84,94,124,138,153,167,171,207,248,267,283,292,306,308,320,347,348,358,370,429,430,480,497,508,530,540,542,544,556,565,600,625,626,640,648,662,663,698,700,718,727,734,746,747,748,752,755,763,778,781,826,833,857,863,877,911,915,918,919,921,932,948,954,976,994,1019 +0415_00602 17,20,42,60,96,104,134,153,180,181,278,347,408,446,454,457,467,487,505,508,516,550,560,591,637,696,705,719,727,750,753,766,776,800,878,883,905,929,945,948,962,968,976,988,994,1005,1019 +0415_00603 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 +0415_00604 20,62,96,134,145,150,153,158,241,270,293,349,362,421,487,508,550,588,593,616,670,707,727,735,748,787,815,844,915,916,919,938,948,952,968,994,1024 +0415_00605 19,20,37,63,74,96,115,134,144,148,163,214,215,220,260,266,343,344,347,379,436,455,487,515,518,520,530,550,570,577,597,606,628,670,686,708,737,747,771,781,787,802,806,812,820,833,884,921,926,935,948,968,999 +0415_00606 96,109,134,138,145,158,181,207,224,247,260,326,335,347,349,408,421,432,487,510,550,575,581,590,626,634,649,671,702,703,705,761,779,802,907,948,953,957,968,981,1014 +0415_00607 52,87,96,109,134,138,145,255,260,347,349,401,421,487,510,515,550,575,581,590,592,626,634,649,761,781,941,950,953,968,981,1006 +0415_00608 119,134,138,220,255,260,343,347,349,510,522,542,550,562,581,590,626,634,686,761,812,894,948,953,968 +0415_00609 4,20,23,54,62,134,151,153,157,211,219,283,328,347,353,389,391,396,430,442,508,515,544,556,592,626,640,648,662,674,727,752,755,778,781,826,860,879,897,948,968,994,1011 +0415_00610 62,141,153,283,376,386,438,446,484,503,533,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00611 15,20,26,35,44,58,78,89,130,131,134,140,143,152,153,175,194,220,225,245,252,255,273,347,357,370,373,401,415,445,456,469,478,499,500,508,531,534,540,582,636,663,689,727,734,762,771,774,850,908,946,948,962 +0415_00612 15,20,34,42,43,44,55,62,80,89,91,93,134,146,153,160,186,189,192,195,207,245,259,274,323,347,360,418,496,497,505,508,530,540,546,582,594,597,626,640,707,708,758,776,802,816,834,874,903,915,916,925,940,948,968,994,1002 +0415_00613 15,20,25,26,35,55,62,69,89,93,108,120,134,136,153,163,164,176,179,184,194,198,207,219,220,230,236,238,245,250,254,255,260,263,265,266,268,273,274,281,285,294,297,301,305,313,318,326,327,341,347,353,355,357,368,376,382,391,416,425,438,461,467,473,474,477,485,492,503,508,516,521,534,548,549,552,562,563,569,574,583,601,604,626,631,646,651,655,673,682,697,704,709,726,727,732,751,756,761,762,767,782,786,789,795,802,813,819,825,829,830,834,837,840,848,855,869,883,884,885,887,897,906,916,917,918,924,933,934,936,945,947,948,960,964,968,973,974,978,979,984,994 +0415_00614 58,95,134,138,153,159,193,207,220,254,262,304,305,330,367,392,417,453,502,508,515,516,536,564,617,621,636,644,657,738,790,819,848,937,948,953,968,989,994,995,1014,1023 +0415_00615 62,141,153,283,376,386,446,503,556,662,721,723,755,761,778,781,798,826,876,948,994 +0415_00616 62,96,109,131,134,138,145,153,165,199,200,207,231,254,260,282,292,347,349,421,457,462,487,550,575,581,589,626,634,649,761,776,778,806,826,866,948,953,968,977,981,994,1008,1017 +0415_00617 62,141,153,283,376,386,446,503,556,662,721,723,755,761,778,781,798,823,826,876,948,994 +0415_00618 96,109,134,138,145,158,181,207,224,247,260,326,335,347,349,408,421,432,487,510,550,575,581,590,626,629,634,649,671,702,703,705,761,779,802,907,948,953,957,968,981,1014 +0415_00619 15,20,23,26,58,60,68,82,94,115,122,128,129,134,136,169,194,210,220,222,228,230,367,408,422,437,456,473,484,499,508,515,550,610,626,635,639,646,681,727,826,863,874,897,947,948,968,1008 +0415_00620 20,62,96,134,140,145,153,165,207,231,254,292,298,347,367,411,414,420,421,444,483,484,487,508,521,544,550,564,567,589,596,652,660,694,727,778,826,835,866,897,898,909,927,948,963,968,977,993,994,1008,1017 +0415_00621 90,96,109,134,138,144,145,198,214,255,260,346,347,349,400,421,434,487,510,550,575,581,590,626,634,649,727,732,761,812,863,894,948,953,968,977,981 +0415_00622 20,31,62,68,96,134,151,153,157,211,242,283,312,343,347,391,430,487,508,544,550,556,674,727,755,778,826,855,860,879,889,948,949,968,994,1006 +0415_00623 115,134,138,207,217,255,260,347,349,350,510,550,581,590,626,634,647,761,779,802,812,843,870,894,912,948,953,968 +0415_00624 4,20,47,62,68,91,96,128,134,145,153,157,193,230,260,283,296,298,326,347,353,421,430,456,487,508,515,516,550,555,556,582,626,627,640,662,727,755,778,781,800,812,826,866,876,897,898,948,955,968,972,973,984,994,1011,1018 +0415_00625 86,123,134,144,153,154,156,214,223,226,283,297,310,353,362,393,405,426,427,452,481,482,485,515,524,550,612,618,626,638,640,665,718,744,768,775,776,792,863,869,913,948,958,963,968,976,977,984,1006 +0415_00626 15,20,26,32,61,65,74,89,94,103,107,139,153,178,197,205,207,211,222,228,244,250,260,262,263,275,283,305,308,313,322,326,344,345,347,396,397,400,406,413,414,417,418,444,448,450,456,461,465,478,488,499,500,508,511,514,517,534,549,553,559,572,592,617,626,644,648,672,692,727,772,774,775,780,781,783,800,802,805,807,811,819,829,833,836,839,848,855,874,879,907,911,936,937,948,951,956,959,964,974,979,981,994,1000,1003,1005,1009 +0415_00627 3,15,17,20,26,32,58,61,66,74,79,85,89,94,99,103,107,119,120,139,153,165,191,192,197,207,214,218,222,227,228,250,254,260,263,270,283,295,305,308,313,322,326,347,383,414,420,432,433,444,461,465,471,478,488,499,508,514,517,520,523,536,538,549,553,573,577,584,592,626,634,639,644,658,663,697,722,727,734,764,768,771,772,781,782,783,790,802,807,811,819,829,833,843,848,855,898,948,951,964,974,979,981,987,991,995,1002,1005,1008,1009 +0415_00628 20,52,72,94,107,118,134,141,153,182,207,270,281,424,481,508,550,558,620,626,635,640,676,697,727,733,819,947,968,970,989 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+0415_00641 38,62,153,470,594,718,778,779,826,833,879,948,978,994,1002 +0415_00642 19,62,153,162,170,283,365,400,457,516,526,556,662,718,755,778,781,826,833,919,948,994 +0415_00643 19,38,62,153,283,594,610,632,718,749,778,826,833,879,948,978,994 +0415_00644 15,48,89,96,110,153,347,461,532,700,711,833,919,948 +0415_00645 19,62,153,162,170,283,365,400,457,516,526,556,662,718,755,778,781,826,833,919,948,994 +0415_00646 19,62,153,170,283,556,606,662,700,718,755,778,781,826,833,919,923,932,948,994 +0415_00647 19,62,153,162,170,283,365,400,457,516,526,556,662,718,755,778,781,826,833,919,948,994 +0415_00648 20,62,144,153,283,413,445,467,497,508,530,544,556,599,662,670,706,727,755,778,781,826,871,918,948,994,1024 +0415_00649 19,60,62,153,170,230,283,365,400,466,516,556,662,718,755,778,781,826,833,919,924,948,994,1008 +0415_00650 62,153,470,502,532,560,599,718,729,778,785,826,833,919,948,994 +0415_00651 19,62,153,162,170,283,365,400,457,516,526,556,662,718,755,778,781,826,833,919,948,994 +0415_00652 19,62,153,162,170,283,365,400,457,516,526,556,662,718,755,778,781,826,833,919,948,994 +0415_00653 96,134,138,145,153,167,178,207,233,238,271,302,315,347,363,372,373,421,430,487,497,510,550,601,647,685,688,718,833,859,919,925,948,968,1009 +0415_00654 19,38,62,153,283,443,556,594,610,718,755,778,826,833,853,879,948,978,994 +0415_00655 19,38,62,153,170,283,443,556,594,610,718,755,778,781,826,833,879,948,978,994 +0415_00656 19,50,62,64,153,154,170,283,312,361,481,556,558,599,606,662,700,718,755,778,781,826,833,850,864,919,923,932,948,994 +0415_00657 19,41,144,419,525,806,948,977 +0415_00658 15,20,26,51,56,58,59,72,73,89,134,153,156,170,173,186,193,202,220,222,226,228,237,239,240,253,255,260,285,293,311,326,327,329,330,332,334,346,347,357,369,395,409,410,435,461,467,482,499,506,508,517,526,530,562,563,576,593,608,617,626,632,651,655,656,660,661,683,691,697,712,715,719,727,730,734,748,760,762,770,772,778,787,791,804,868,883,892,900,901,908,909,914,922,936,948,949,973,974 +0415_00659 19,38,62,153,170,283,443,556,594,610,662,718,755,778,781,826,833,879,948,978,994 +0415_00660 15,62,67,134,153,166,172,175,200,230,237,245,269,283,332,363,508,524,556,632,662,755,778,781,799,826,893,895,948,951,957,994,1022 +0415_00661 19,38,62,153,283,470,594,610,632,718,749,778,779,826,833,879,948,978,994,1002 +0415_00662 96,105,134,145,214,421,439,487,508,550,574,582,613,650,669,705,802,901,968 +0415_00663 45,59,96,105,134,138,141,145,146,153,236,271,321,333,339,406,421,487,508,550,707,715,723,728,743,761,778,812,819,822,895,960,968,987 +0415_00664 20,59,96,105,134,138,141,145,146,153,321,333,387,398,405,406,421,423,487,497,508,530,550,575,630,723,727,728,743,761,778,812,819,822,968,987 +0415_00665 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0415_00666 20,140,153,218,288,307,347,430,508,544,600,700,718,727,762,833,840,886,919,932,948,989 +0415_00667 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 diff --git a/processed_data/0415/0415_fingerprints_maccs_canonical_success.tsv b/processed_data/0415/0415_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..bee490b75 --- /dev/null +++ b/processed_data/0415/0415_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,668 @@ +id bits.on +0415_00001 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0415_00002 82,84,90,91,100,104,108,111,114,115,116,118,128,129,147,151,153,155,158,160,161 +0415_00003 92,109,110,113,114,117,126,127,133,135,143,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00004 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00005 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0415_00006 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00007 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00008 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0415_00009 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00010 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00011 125,145,152,154,162,163,164,165 +0415_00012 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0415_00013 123,139,154,157,159,162,163,164,165 +0415_00014 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0415_00015 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0415_00016 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0415_00017 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0415_00018 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0415_00019 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00020 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00021 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0415_00022 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 +0415_00023 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0415_00024 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0415_00025 39,40,48,51,55,57,58,60,61,67,69,73,75,85,86,88,90,91,95,98,100,102,104,106,109,111,112,118,120,121,122,124,128,129,130,132,136,137,138,139,140,146,147,148,153,155,157,158,159,161,163,164,165 +0415_00026 33,39,40,43,48,55,58,60,61,67,69,73,84,88,94,102,106,112,117,124,130,131,136,139,146,148,151,156,159,161,164 +0415_00027 28,45,75,77,79,83,85,86,93,96,99,100,108,114,115,116,120,121,122,137,138,142,148,149,153,155,158,160,161,165 +0415_00028 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0415_00029 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00030 29,38,48,49,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,125,126,127,130,131,132,133,135,136,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00031 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0415_00032 28,29,38,43,48,65,69,72,75,77,79,80,83,84,85,86,91,95,96,98,100,102,104,105,106,109,111,112,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,147,148,151,153,155,156,157,158,159,161,162,163,164,165 +0415_00033 53,80,84,131,133,135,142,144,150,151,156,158,160,161,162,163,165 +0415_00034 66,74,75,82,85,95,97,98,100,104,108,109,111,112,115,116,121,122,127,128,129,131,132,137,138,139,141,143,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0415_00035 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00036 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00037 25,28,38,43,53,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,113,117,120,121,122,126,127,129,131,132,133,135,137,138,139,140,142,143,146,148,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00038 25,37,43,53,65,77,80,82,84,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,142,143,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00039 25,38,65,75,77,79,80,83,84,85,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,133,135,137,142,143,144,148,150,151,154,156,158,160,161,162,163,164,165 +0415_00040 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,144,148,150,151,156,158,160,161,162,163,165 +0415_00041 37,38,43,53,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,148,151,154,156,158,159,160,161,162,163,164,165 +0415_00042 25,38,43,65,75,77,79,80,83,84,85,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,133,135,137,142,143,148,151,154,156,158,160,161,162,163,164,165 +0415_00043 36,37,38,57,62,65,72,75,77,80,81,83,84,85,88,89,91,92,96,97,98,106,110,111,113,117,120,121,122,123,127,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,153,154,156,157,158,159,161,162,163,164,165 +0415_00044 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0415_00045 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00046 75,79,83,84,85,86,91,92,95,96,100,104,110,111,117,118,121,122,127,128,129,132,136,137,138,142,143,147,148,150,151,153,154,155,156,158,159,161,164,165 +0415_00047 25,38,43,47,53,54,59,64,65,73,77,79,80,81,83,84,88,96,98,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0415_00048 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00049 28,29,38,43,48,65,69,72,75,77,79,80,83,84,85,95,96,98,100,102,104,105,106,109,112,115,116,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,148,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00050 66,74,91,97,98,104,108,111,112,115,121,127,132,137,141,143,149,151,152,154,156,158,160,161,163,164,165 +0415_00051 30,49,74,85,86,93,112,122,133,135,141,148,149,156,158,160,161,162,163,165 +0415_00052 37,38,43,52,53,65,69,77,79,80,83,89,92,94,96,97,98,105,106,110,113,117,120,121,124,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0415_00053 25,28,38,43,65,72,75,77,79,80,83,84,85,86,91,92,95,96,97,98,100,104,105,106,109,110,113,117,120,121,122,123,126,127,131,132,133,135,136,137,138,139,140,142,143,146,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00054 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00055 29,43,48,69,102,106,112,124,130,131,139,146,148,159,162,163,164,165 +0415_00056 36,37,38,57,62,65,72,75,77,80,81,82,83,84,85,88,89,91,92,96,97,98,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,138,139,142,143,144,146,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00057 25,28,38,43,53,65,72,75,77,78,79,80,82,83,84,85,86,90,91,92,95,96,97,98,100,104,105,106,109,110,117,119,120,121,122,126,127,129,131,132,133,135,137,138,139,142,143,144,146,147,148,151,153,155,156,157,158,159,161,162,163,164,165 +0415_00058 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00059 38,52,53,65,69,77,79,80,83,92,94,96,97,98,105,110,113,117,120,121,124,127,131,137,142,143,151,154,156,161,162,163,164,165 +0415_00060 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00061 54,72,74,82,84,90,92,95,97,100,104,109,110,113,116,117,126,127,131,132,138,139,140,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00062 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,144,150,151,154,156,159,160,161,162,163,164,165 +0415_00063 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00064 29,43,48,69,102,106,112,113,124,126,127,130,131,139,140,143,146,148,152,157,159,162,163,164,165 +0415_00065 37,43,54,66,74,77,79,83,89,92,95,96,97,106,110,112,117,120,121,127,131,136,137,142,143,149,150,151,154,156,158,159,160,161,164,165 +0415_00066 113,127,131,139,143,152,157,159,162,163,164,165 +0415_00067 37,38,43,47,53,54,59,64,65,73,77,79,80,81,83,88,96,97,98,105,106,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0415_00068 74,85,86,93,97,113,122,127,133,135,139,143,148,149,152,156,157,158,160,161,162,163,164,165 +0415_00069 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00070 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0415_00071 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00072 45,75,85,86,98,99,100,111,114,115,116,118,121,122,128,129,137,138,147,148,153,155,158,160,161,163,165 +0415_00073 36,47,65,81,82,83,88,96,104,108,109,116,120,121,132,137,139,144,147,150,153,155,156,157,160,161,162,164,165 +0415_00074 30,49,75,83,85,86,93,96,100,108,111,112,114,115,116,118,121,122,128,129,137,138,147,148,149,153,155,158,160,161,165 +0415_00075 23,53,80,84,93,106,110,117,123,126,131,133,135,142,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00076 38,52,53,54,57,62,65,72,75,77,79,80,82,83,89,90,91,92,94,95,96,97,98,105,109,110,113,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00077 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00078 38,62,77,78,79,82,83,90,96,100,104,111,119,120,121,137,138,142,147,151,153,156,158,161,162,163,165 +0415_00079 38,57,65,71,77,83,84,94,95,96,97,102,120,121,124,133,135,137,142,151,152,156,158,160,161,162,164,165 +0415_00080 74,85,86,93,100,115,122,148,149,153,155,158,160,161,162,163,165 +0415_00081 23,53,80,84,93,106,110,117,123,126,131,133,135,142,144,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00082 37,38,43,53,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,148,151,154,156,158,159,160,161,162,163,164,165 +0415_00083 53,80,84,92,110,117,123,131,133,135,136,139,142,146,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00084 30,49,74,85,86,93,100,112,115,122,141,148,149,153,155,158,160,161,162,163,165 +0415_00085 53,54,72,92,97,110,113,117,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00086 38,52,54,65,70,74,77,79,80,83,84,86,92,93,94,95,96,97,110,117,119,120,121,122,124,130,131,133,135,137,142,144,148,149,150,151,154,156,158,160,161,162,164,165 +0415_00087 14,38,45,65,67,76,77,80,81,82,84,85,88,90,98,99,100,104,108,109,110,116,117,118,120,121,122,124,125,128,131,132,133,135,136,137,138,139,140,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00088 13,24,62,65,69,71,72,75,91,92,94,98,102,110,113,117,118,121,122,124,127,129,137,139,143,144,145,147,148,150,154,156,159,160,161,162,163,164,165 +0415_00089 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0415_00090 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00091 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00092 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00093 25,38,53,54,57,62,65,72,74,75,77,79,80,82,83,85,86,89,90,91,92,93,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00094 53,54,57,72,89,92,98,110,113,117,123,126,127,131,133,135,136,137,139,140,143,145,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00095 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00096 83,90,92,93,95,96,104,108,110,111,117,121,123,126,127,132,136,137,143,146,147,151,154,156,157,158,159,160,161,164,165 +0415_00097 25,38,53,65,77,80,84,97,98,106,109,114,120,121,123,126,131,133,135,137,142,144,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00098 38,77,78,79,82,83,90,96,100,104,111,119,120,121,128,129,137,138,142,147,151,153,155,156,158,161,162,163,165 +0415_00099 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00100 29,43,48,66,69,74,102,106,112,124,130,131,139,141,146,148,149,159,160,164 +0415_00101 30,49,75,85,86,93,98,100,108,111,112,114,115,116,118,121,122,128,129,137,138,147,148,149,153,155,158,160,161,163,165 +0415_00102 37,38,65,77,80,84,89,92,93,97,98,106,110,113,117,120,121,126,127,133,135,137,142,143,149,151,156,157,158,159,160,161,162,163,164,165 +0415_00103 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0415_00104 66,74,80,85,91,98,100,104,108,110,111,112,115,117,118,120,121,122,128,129,131,133,136,137,138,141,142,145,147,148,149,151,153,154,155,156,158,159,160,161,163,164,165 +0415_00105 25,43,53,77,78,80,84,106,119,131,133,135,142,144,150,151,156,158,160,161,162,163,165 +0415_00106 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00107 24,49,56,63,70,71,80,84,89,94,95,102,113,119,122,124,127,130,131,133,135,139,142,143,144,146,148,150,151,152,156,157,158,159,161,162,163,164,165 +0415_00108 30,34,49,50,74,76,78,80,85,86,92,93,99,100,108,110,111,112,115,116,117,118,119,122,138,141,142,147,148,149,153,155,156,157,158,160,161,164 +0415_00109 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00110 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0415_00111 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0415_00112 38,45,75,77,79,83,85,93,96,99,100,108,111,114,115,116,118,120,121,122,137,141,142,147,148,149,150,153,155,156,158,160,161,165 +0415_00113 54,72,82,84,90,95,97,100,104,109,113,126,127,131,132,138,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0415_00114 21,24,38,43,45,49,56,57,63,70,71,76,77,79,82,83,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00115 29,43,48,69,90,91,102,104,106,112,114,115,116,118,124,130,131,132,139,146,147,148,153,155,159,160,164 +0415_00116 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0415_00117 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,139,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00118 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00119 25,43,65,77,79,83,84,96,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0415_00120 23,53,72,80,84,86,90,91,93,106,109,110,115,116,117,123,126,131,132,133,135,138,142,146,147,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00121 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0415_00122 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0415_00123 66,74,90,91,98,104,108,111,112,115,116,118,121,137,141,147,149,151,156,158,160,161,163,165 +0415_00124 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00125 74,82,86,90,91,93,100,104,108,115,123,131,132,139,141,149,151,153,154,155,157,158,159,160,161,164 +0415_00126 51,55,58,59,60,61,64,67,73,79,81,82,85,86,88,89,91,92,93,97,100,102,104,108,110,111,112,113,114,116,117,122,124,126,127,129,130,136,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00127 23,84,90,106,109,110,114,117,123,126,131,133,135,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00128 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00129 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0415_00130 24,68,69,71,72,92,94,102,110,117,124,131,139,151,154,156,158,159,161,162,163,164,165 +0415_00131 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00132 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0415_00133 52,68,69,74,82,92,93,94,100,104,110,111,116,117,124,131,141,142,149,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00134 25,38,47,59,64,65,77,79,80,81,83,84,88,93,96,98,105,106,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 +0415_00135 28,45,75,77,79,83,85,86,93,96,99,100,108,115,120,121,122,137,138,142,148,153,155,158,160,161,162,163,165 +0415_00136 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00137 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0415_00138 25,38,53,65,72,77,80,84,90,93,98,106,113,120,121,125,126,127,131,133,135,137,142,143,144,145,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00139 29,48,93,102,106,112,124,126,130,140,141,146,148,149,157,159,160,164 +0415_00140 25,38,53,54,65,77,79,80,84,85,86,90,91,92,93,95,98,100,104,105,106,110,111,115,117,120,121,122,123,125,131,132,133,135,136,137,139,140,142,145,146,147,148,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00141 36,47,62,77,78,79,81,83,85,86,88,96,100,101,105,106,111,119,120,121,122,128,129,137,138,142,147,148,153,156,158,161,162,163,165 +0415_00142 25,38,53,65,72,77,80,84,89,90,91,93,98,106,113,120,121,125,126,127,131,133,135,137,139,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00143 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00144 38,39,40,48,51,55,58,59,60,61,62,64,65,67,69,73,77,79,81,83,88,96,102,105,106,112,120,121,124,125,130,131,136,137,139,142,145,146,148,151,156,159,161,162,163,164,165 +0415_00145 29,43,48,69,102,104,106,112,124,130,131,132,139,146,148,153,155,159,162,163,164,165 +0415_00146 37,66,74,75,77,79,83,85,89,92,93,95,96,97,106,110,112,117,120,121,122,127,136,137,141,142,143,148,149,150,151,154,156,158,159,160,161,164,165 +0415_00147 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00148 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,140,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00149 33,39,40,43,48,55,58,60,61,67,69,73,88,90,91,94,102,104,106,111,112,117,118,124,129,130,131,133,136,139,146,147,148,151,156,158,159,161,163,164,165 +0415_00150 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00151 23,53,80,84,90,106,109,110,114,117,123,126,131,133,135,142,144,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00152 30,49,85,86,100,112,114,116,122,138,141,148,149,153,155,158,160,161,162,163,165 +0415_00153 22,25,38,53,62,65,75,77,79,80,82,83,84,85,90,96,98,99,104,105,106,109,111,120,121,122,131,133,135,137,139,142,148,151,153,155,156,157,158,161,162,163,164,165 +0415_00154 54,72,74,82,90,95,97,100,104,109,113,116,126,127,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00155 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00156 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00157 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0415_00158 66,84,91,101,104,105,111,112,128,133,145,151,156,158,161,163,165 +0415_00159 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00160 29,30,86,102,112,114,116,124,132,138,141,148,149,153,155,160,164 +0415_00161 38,62,65,77,79,80,83,96,98,105,120,121,125,137,142,145,151,156,161,162,163,165 +0415_00162 36,47,65,79,81,83,84,88,96,105,120,121,137,142,151,156,158,160,161,162,163,165 +0415_00163 65,98,105,121,125,137,145,149,156,160,161,162,163,165 +0415_00164 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0415_00165 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00166 22,25,38,53,62,65,75,77,79,80,83,84,85,90,96,98,99,104,105,106,111,120,121,122,123,131,133,135,137,139,142,148,151,154,156,157,158,159,161,162,163,164,165 +0415_00167 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0415_00168 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0415_00169 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0415_00170 53,80,92,110,117,123,131,133,135,136,139,140,142,146,149,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00171 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0415_00172 24,52,65,69,70,71,75,77,79,80,83,94,95,96,97,102,105,113,117,120,121,122,124,127,130,137,139,142,143,148,156,161,162,163,164,165 +0415_00173 62,75,79,80,83,84,85,89,90,91,92,95,96,98,100,104,105,110,111,117,120,121,122,127,128,129,131,132,133,135,136,137,142,143,144,145,146,147,148,150,151,153,154,156,158,159,161,162,163,164,165 +0415_00174 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00175 38,53,62,65,77,79,80,83,84,96,105,120,121,125,131,133,135,137,142,145,151,156,158,161,162,163,165 +0415_00176 52,53,65,69,70,77,79,80,83,94,95,96,97,105,113,120,121,124,127,130,131,137,139,142,143,151,152,156,157,161,162,163,164,165 +0415_00177 30,34,49,85,86,99,100,112,114,116,122,138,148,149,153,155,158,160,161,162,163,165 +0415_00178 54,79,82,86,91,92,95,100,104,110,111,114,116,117,131,132,133,135,138,141,142,144,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00179 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0415_00180 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00181 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00182 24,38,47,49,56,59,63,64,65,70,71,75,77,79,80,81,83,85,88,93,94,95,96,97,98,102,105,119,120,121,122,124,130,133,135,137,142,144,148,150,151,156,158,159,160,161,162,163,164,165 +0415_00183 57,66,72,75,83,85,86,89,90,91,93,95,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00184 37,43,53,65,77,80,89,92,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,145,151,154,156,159,161,162,163,164,165 +0415_00185 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00186 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0415_00187 30,34,49,74,85,86,93,99,100,112,115,122,141,148,149,153,155,158,160,161,162,163,165 +0415_00188 54,72,82,86,90,91,93,95,97,100,104,109,113,114,115,116,126,127,128,131,132,138,139,143,146,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00189 25,38,43,53,65,72,77,80,84,89,90,92,93,97,98,106,110,113,117,120,121,125,126,127,131,133,135,137,140,141,142,143,144,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00190 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0415_00191 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00192 53,84,89,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00193 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00194 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0415_00195 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00196 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00197 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,141,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00198 16,22,23,26,45,50,76,79,80,83,84,85,89,90,91,92,93,95,96,97,98,99,100,101,104,105,106,108,109,110,111,112,117,120,121,122,123,126,127,128,131,133,136,137,138,140,142,143,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00199 92,110,117,123,131,133,135,136,139,146,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00200 51,53,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00201 54,84,90,95,104,111,113,123,125,126,127,131,139,140,143,145,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0415_00202 36,47,62,65,80,81,82,83,86,88,90,91,96,98,100,104,105,111,118,120,121,129,137,138,142,145,147,151,153,156,158,161,162,163,165 +0415_00203 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00204 19,62,66,75,85,86,93,100,108,111,112,113,114,115,116,118,121,122,127,128,129,137,138,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00205 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00206 84,92,110,117,151,154,156,158,161,162,163,164,165 +0415_00207 50,54,76,79,84,90,92,95,97,99,104,110,111,114,116,117,123,126,127,131,132,133,136,139,140,141,142,143,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00208 53,66,82,86,90,91,93,97,100,104,112,113,115,118,127,128,129,131,132,139,143,145,147,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00209 38,47,53,54,57,59,62,64,65,72,75,77,79,80,81,82,83,85,88,89,90,91,92,93,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00210 53,92,97,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00211 13,24,66,69,71,74,75,90,94,97,98,102,104,108,111,112,115,121,122,124,127,131,132,137,139,141,143,148,149,150,152,156,157,158,159,160,161,163,164,165 +0415_00212 75,83,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,123,127,128,129,132,136,137,139,143,146,147,148,150,153,154,155,156,157,158,159,160,161,164,165 +0415_00213 28,45,75,77,79,83,85,86,93,96,99,100,108,111,114,115,116,118,120,121,122,128,129,137,138,142,147,148,149,153,155,158,160,161,165 +0415_00214 47,59,64,65,77,79,81,83,88,89,90,93,96,97,98,105,106,111,113,116,120,121,123,125,126,127,131,137,139,140,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0415_00215 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00216 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0415_00217 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00218 54,57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,111,112,115,116,120,122,123,126,127,128,131,132,133,136,137,139,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00219 65,98,105,121,125,137,145,156,161,162,163,165 +0415_00220 13,23,24,49,52,65,69,71,75,78,79,80,93,94,95,97,98,102,105,106,110,113,117,119,120,121,122,123,124,125,126,127,130,137,140,142,143,144,145,146,148,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00221 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,82,88,89,91,94,97,98,102,106,109,110,112,117,121,124,125,130,131,133,135,136,137,139,140,142,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00222 23,54,75,80,83,85,90,91,95,96,100,104,106,108,110,111,117,118,121,122,123,131,136,137,139,140,142,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00223 25,38,53,65,72,77,80,84,89,93,97,98,106,113,120,121,125,126,127,131,133,135,137,140,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00224 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,161,162,163,165 +0415_00225 54,72,82,92,95,104,109,110,111,117,131,132,133,135,139,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00226 37,49,52,57,62,65,70,72,75,77,80,82,83,85,89,91,92,94,95,96,97,98,106,109,110,111,113,117,119,120,121,122,124,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00227 38,62,65,77,79,83,96,105,120,121,125,137,142,145,151,156,161,162,163,165 +0415_00228 38,43,77,78,84,109,113,118,119,125,126,127,128,129,131,132,138,142,143,145,147,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00229 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00230 24,29,49,52,65,70,71,74,75,77,79,80,83,86,93,94,95,96,97,102,105,106,112,113,117,120,121,122,124,126,127,130,137,141,142,143,148,149,156,158,160,161,162,163,164,165 +0415_00231 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,127,128,129,137,139,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0415_00232 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00233 82,86,100,125,138,145,151,153,155,158,161,162,163,165 +0415_00234 38,62,65,77,79,83,96,105,120,121,125,137,142,145,151,156,160,161,162,163,165 +0415_00235 23,74,85,86,93,100,106,110,113,114,115,117,122,123,126,127,141,142,143,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00236 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0415_00237 38,52,62,65,77,79,80,92,94,95,97,98,110,113,117,120,121,124,125,127,137,142,143,144,145,150,151,154,156,160,161,162,163,164,165 +0415_00238 30,49,74,85,86,93,100,112,115,122,125,138,145,148,149,153,155,158,160,161,162,163,165 +0415_00239 25,53,62,65,75,77,79,80,85,86,92,93,98,100,106,110,111,115,116,117,118,120,121,122,125,129,131,133,135,137,138,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00240 47,59,64,65,77,79,81,83,88,90,93,96,97,98,104,105,106,111,113,116,120,121,125,126,127,131,137,141,142,143,144,145,149,150,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0415_00241 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00242 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00243 38,53,62,65,77,79,83,96,97,105,113,120,121,125,127,131,137,139,142,143,144,145,150,151,152,156,157,161,162,163,164,165 +0415_00244 24,37,49,52,56,57,63,70,71,72,75,77,78,79,80,83,89,90,92,94,95,96,97,100,102,104,106,110,111,117,119,120,121,122,124,127,130,132,133,135,136,137,140,142,143,146,148,150,151,152,153,154,156,158,159,161,162,164,165 +0415_00245 38,62,65,77,79,83,93,96,97,105,113,120,121,125,126,127,137,142,143,144,145,150,151,152,156,157,160,161,162,163,164,165 +0415_00246 32,33,36,65,67,69,81,83,88,92,94,96,105,110,113,117,120,121,124,127,137,143,151,154,156,161,162,163,164,165 +0415_00247 53,62,66,82,86,90,91,93,97,100,104,108,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00248 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00249 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0415_00250 53,66,82,84,90,91,93,97,100,104,112,113,118,126,127,128,129,131,132,139,143,145,147,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00251 13,24,30,49,62,66,71,74,85,86,90,91,93,94,97,100,102,104,108,112,113,115,118,122,124,126,127,128,129,132,139,141,143,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00252 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0415_00253 37,38,65,75,77,79,80,83,85,89,90,91,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,139,141,142,143,144,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00254 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00255 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0415_00256 66,74,75,85,93,97,98,108,111,112,115,116,118,120,121,122,123,126,127,128,129,132,136,137,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00257 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00258 36,39,40,47,48,51,55,58,59,60,61,64,65,67,69,73,81,83,88,95,96,102,105,106,112,120,121,124,130,136,137,139,146,148,156,159,161,162,163,164,165 +0415_00259 92,93,110,113,117,126,127,133,135,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00260 38,62,65,74,77,79,83,85,86,93,96,105,120,121,122,125,133,135,137,142,145,148,149,151,156,158,160,161,162,163,165 +0415_00261 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00262 66,74,91,97,98,104,108,111,112,115,118,120,121,123,126,127,128,129,131,132,136,137,140,141,142,143,145,146,147,149,151,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00263 23,25,43,51,59,60,61,64,65,67,73,77,79,81,83,88,93,96,97,102,105,106,110,117,120,121,123,124,125,126,131,133,135,136,137,142,145,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00264 54,72,92,95,110,117,131,133,135,139,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00265 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00266 66,82,86,90,91,98,100,104,111,112,118,121,125,129,131,137,138,139,145,147,151,152,153,157,158,161,162,163,164,165 +0415_00267 66,84,91,101,104,105,108,111,112,115,128,133,145,149,151,156,158,160,161,163,165 +0415_00268 23,25,43,65,77,79,83,93,96,97,105,106,109,110,113,114,115,117,120,121,123,126,127,131,132,133,135,137,142,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00269 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00270 92,110,117,133,135,151,154,156,158,160,161,162,163,164,165 +0415_00271 29,30,49,112,123,125,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00272 72,85,92,93,95,110,117,122,133,135,139,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00273 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,100,102,104,106,108,109,110,111,112,115,116,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00274 24,32,33,38,51,55,57,58,59,60,61,64,65,67,68,69,71,73,77,81,83,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,139,140,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0415_00275 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0415_00276 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0415_00277 52,62,65,72,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,139,142,143,144,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00278 8,11,36,37,45,47,50,52,54,59,64,65,70,72,75,76,77,79,80,81,83,85,86,88,89,90,91,92,93,94,95,96,97,98,99,100,101,105,106,108,110,111,113,114,116,117,120,121,122,123,124,127,129,130,131,133,136,137,138,139,140,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00279 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,125,126,127,131,132,137,138,139,142,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00280 93,113,126,127,139,143,152,157,159,160,162,163,164,165 +0415_00281 82,85,86,92,100,109,110,114,116,117,122,138,139,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00282 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0415_00283 36,39,40,48,51,55,58,60,61,67,69,73,81,83,85,86,88,89,92,93,95,96,97,102,104,106,108,109,110,111,112,115,117,122,124,126,128,130,132,133,135,136,137,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0415_00284 16,22,23,26,45,50,72,76,79,80,83,84,85,89,90,91,92,93,95,96,97,98,99,100,101,104,105,106,108,109,110,111,112,117,120,121,122,123,126,127,128,131,136,137,138,140,141,142,143,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00285 53,54,57,66,72,82,84,89,90,91,93,95,97,98,104,105,108,109,111,112,113,123,125,126,127,128,129,131,132,133,136,137,139,140,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00286 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00287 37,38,43,53,65,77,79,80,89,92,95,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,144,145,149,150,151,154,156,159,160,161,162,163,164,165 +0415_00288 39,40,48,49,50,51,55,58,59,60,61,64,67,69,73,76,78,81,85,86,88,99,100,102,106,112,114,116,119,122,124,125,130,131,133,135,136,138,139,140,142,144,145,146,148,149,150,153,155,156,158,159,160,161,162,163,164,165 +0415_00289 32,33,38,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,144,145,146,148,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0415_00290 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,136,139,145,146,148,159,162,163,164,165 +0415_00291 123,136,139,146,152,154,157,159,160,162,163,164,165 +0415_00292 29,49,66,74,102,112,124,141,148,149,160,164 +0415_00293 29,30,49,82,104,109,112,125,132,138,139,145,147,148,153,155,157,162,163,164,165 +0415_00294 30,49,74,85,86,93,95,100,109,111,112,113,115,116,122,125,126,127,129,132,138,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00295 19,37,75,77,84,85,97,104,105,106,110,117,121,122,125,127,131,132,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00296 29,30,49,93,112,125,145,148,160,162,163,165 +0415_00297 29,30,49,112,118,123,125,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00298 29,69,102,112,124,125,130,139,145,148,159,162,163,164,165 +0415_00299 19,75,79,80,82,85,86,91,95,98,99,100,104,105,109,111,118,120,121,122,125,128,129,132,135,137,138,139,142,144,145,147,148,153,155,156,157,158,161,162,163,164,165 +0415_00300 13,24,30,49,66,71,74,85,86,90,91,93,94,97,100,102,104,112,113,115,118,122,124,126,127,128,129,132,139,141,143,145,146,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00301 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0415_00302 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,113,117,120,121,125,127,131,136,137,139,142,143,145,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00303 29,30,49,112,115,125,132,145,148,152,153,154,155,160,162,163,164,165 +0415_00304 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00305 19,22,38,62,65,75,77,79,80,85,92,97,98,105,110,111,117,120,121,122,125,127,133,135,137,142,143,144,145,148,151,154,156,158,160,161,162,163,164,165 +0415_00306 57,72,74,83,89,96,98,101,105,109,112,116,120,123,132,137,139,140,141,146,149,152,153,154,157,159,160,163,164,165 +0415_00307 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00308 38,52,62,65,66,69,70,74,75,77,79,80,83,85,91,94,95,96,97,100,111,112,114,115,120,121,122,123,124,125,128,129,130,131,137,139,141,142,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00309 85,86,92,100,110,114,116,117,122,123,136,138,139,146,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00310 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00311 92,93,95,110,113,117,126,127,133,135,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00312 29,30,49,112,114,125,145,148,153,155,160,162,163,165 +0415_00313 25,37,53,65,74,77,80,93,97,98,106,110,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0415_00314 66,83,89,90,91,92,96,104,105,110,111,112,117,118,121,127,128,129,132,136,137,143,147,151,154,156,158,159,161,163,164,165 +0415_00315 29,48,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0415_00316 29,69,84,94,102,112,117,124,125,130,145,148,151,156,161,162,163,164,165 +0415_00317 19,30,49,66,72,83,85,86,96,97,98,100,105,111,112,118,121,122,123,125,126,127,128,129,132,137,138,139,143,145,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0415_00318 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,140,142,146,148,149,151,152,154,156,158,159,160,161,162,163,164,165 +0415_00319 38,66,74,77,78,79,82,83,90,91,96,100,104,111,112,113,116,119,120,121,127,128,129,131,137,138,139,141,142,143,144,147,149,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0415_00320 72,75,85,86,93,96,98,100,105,111,113,118,121,122,125,126,127,128,129,137,138,143,144,145,146,147,148,149,150,152,153,154,155,157,158,159,160,161,162,163,164,165 +0415_00321 17,38,65,72,77,80,86,93,97,98,105,109,113,115,116,118,120,121,125,126,127,132,133,135,137,138,140,142,143,144,145,146,147,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00322 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00323 17,66,74,85,86,93,99,100,105,112,115,122,123,125,138,139,141,145,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0415_00324 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00325 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,89,93,102,106,112,113,124,125,126,127,130,131,136,139,140,143,144,145,146,148,150,152,154,157,159,160,162,163,164,165 +0415_00326 19,37,75,77,84,85,99,105,106,110,113,117,121,122,125,127,131,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00327 53,54,57,66,72,82,84,89,90,91,93,95,97,98,104,105,108,109,111,112,113,123,125,126,127,128,129,131,132,133,136,137,139,140,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00328 66,90,91,104,112,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,163,164,165 +0415_00329 28,29,30,49,86,93,109,112,115,125,126,145,148,153,155,157,160,162,163,164,165 +0415_00330 28,45,75,77,79,83,85,86,93,96,99,100,108,111,114,115,116,118,120,121,122,128,129,137,138,142,147,148,149,153,155,158,160,161,165 +0415_00331 57,62,65,82,83,89,92,95,96,109,110,111,117,120,121,137,139,153,155,156,157,159,161,162,163,164,165 +0415_00332 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0415_00333 82,86,93,95,100,104,109,111,115,116,125,126,132,138,145,147,151,152,153,155,157,158,160,161,162,163,164,165 +0415_00334 30,49,78,79,85,86,92,95,100,110,111,112,114,116,117,119,122,125,132,133,135,138,141,142,144,145,148,149,150,153,155,156,157,158,160,161,162,163,164,165 +0415_00335 93,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0415_00336 16,19,22,37,57,75,77,84,85,97,101,105,106,110,117,120,121,122,125,135,137,142,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00337 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30,49,74,85,86,93,95,100,108,109,111,112,113,114,115,116,118,122,126,127,128,129,132,138,141,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00538 17,26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0415_00539 32,33,38,51,55,58,59,60,61,62,64,65,66,67,69,72,73,74,77,79,80,81,82,88,92,93,94,95,97,98,102,104,106,109,110,112,113,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00540 36,47,59,64,65,81,83,88,93,96,105,106,120,121,137,156,160,161,162,163,165 +0415_00541 29,30,49,70,94,112,119,124,125,130,145,148,156,161,162,163,165 +0415_00542 30,49,66,72,74,85,86,93,95,100,108,109,111,112,113,115,116,118,122,125,126,127,128,129,132,138,141,143,144,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00543 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,109,114,119,121,122,123,124,126,130,133,135,136,137,140,141,142,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00544 17,66,74,104,112,115,131,132,139,141,149,152,155,157,159,160,164 +0415_00545 28,36,41,47,59,64,65,81,83,88,96,105,106,120,121,137,142,153,155,156,161,162,163,165 +0415_00546 50,66,74,76,98,99,105,112,121,135,137,141,144,145,149,151,156,158,160,161,162,163,165 +0415_00547 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0415_00548 72,85,86,92,95,100,105,108,110,113,114,116,117,122,125,126,127,138,141,143,145,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00549 57,62,89,98,105,113,125,127,132,137,143,144,145,152,154,157,159,162,163,164,165 +0415_00550 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00551 23,36,37,47,53,54,65,74,77,79,81,83,85,86,88,90,91,92,93,95,96,97,100,104,106,109,110,111,115,117,120,121,122,123,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00552 89,93,113,125,126,127,131,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0415_00553 30,49,74,85,86,93,95,100,108,109,111,112,114,115,116,118,122,126,128,129,132,138,141,147,148,149,153,155,157,158,160,161,162,163,164,165 +0415_00554 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00555 29,48,74,102,106,112,113,124,125,126,127,130,140,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00556 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0415_00557 89,90,104,108,109,113,114,115,116,123,126,127,129,131,132,139,140,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00558 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0415_00559 45,75,85,86,98,99,100,108,111,114,115,116,118,121,122,128,129,137,138,147,148,153,155,158,160,161,163,165 +0415_00560 89,113,125,127,139,143,144,145,150,152,154,157,159,162,163,164,165 +0415_00561 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00562 23,25,43,59,64,72,77,78,79,81,86,88,92,93,95,97,104,106,109,110,111,115,117,119,123,125,126,131,132,133,135,136,140,141,142,144,145,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00563 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0415_00564 36,59,81,88,98,105,120,121,125,135,137,144,145,151,156,158,161,162,163,165 +0415_00565 24,71,78,79,89,92,93,94,95,97,102,108,109,110,113,117,119,124,125,126,127,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00566 54,66,72,90,91,96,104,105,108,109,112,113,115,116,118,125,126,127,128,129,131,132,139,143,144,145,146,147,150,152,153,155,157,159,160,162,163,164,165 +0415_00567 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00568 30,49,74,85,86,93,95,100,108,109,111,112,114,115,116,118,122,123,126,128,129,132,138,141,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00569 41,50,76,97,99,109,114,123,125,126,145,153,154,155,157,159,160,161,162,163,164,165 +0415_00570 41,50,76,97,99,123,125,139,145,154,157,159,161,162,163,164,165 +0415_00571 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0415_00572 36,47,59,64,65,81,83,88,96,105,106,114,120,121,137,153,155,156,160,161,162,163,165 +0415_00573 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0415_00574 41,50,76,90,97,99,104,108,109,114,115,116,123,125,126,129,132,139,145,146,147,149,152,153,154,155,157,159,160,161,162,163,164,165 +0415_00575 14,33,36,47,57,58,59,64,65,67,75,80,81,83,86,88,94,95,96,98,100,105,106,109,111,118,120,121,122,124,129,130,132,137,138,142,145,147,148,153,156,157,158,161,162,163,164,165 +0415_00576 24,49,56,63,66,70,71,74,89,94,95,102,112,113,119,122,124,125,127,130,131,133,135,136,139,140,142,143,144,145,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0415_00577 24,49,56,63,66,70,71,74,80,89,94,95,102,112,113,119,122,124,127,130,133,135,136,139,140,141,142,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0415_00578 29,48,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0415_00579 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00580 29,48,74,102,106,109,112,115,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0415_00581 29,48,102,106,112,113,124,125,126,127,130,140,143,145,146,148,152,157,159,162,163,164,165 +0415_00582 29,30,72,102,112,124,125,136,141,144,145,148,149,150,154,159,160,162,163,164,165 +0415_00583 37,77,85,86,90,91,100,104,106,110,111,117,118,122,125,129,133,138,142,145,147,148,151,153,154,155,156,158,161,162,163,164,165 +0415_00584 24,29,48,49,56,63,67,70,71,73,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00585 62,89,96,105,125,127,136,143,144,145,150,152,154,159,162,163,164,165 +0415_00586 29,66,69,74,86,91,102,104,108,112,115,124,128,130,132,138,139,141,148,149,153,155,159,160,164 +0415_00587 29,30,67,73,81,88,112,124,125,145,148,162,163,165 +0415_00588 29,38,48,65,67,73,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0415_00589 57,72,105,109,118,120,123,125,127,132,136,137,138,140,143,145,146,147,153,154,157,159,162,163,164,165 +0415_00590 17,66,90,91,93,96,104,105,108,112,113,115,116,118,126,127,128,129,132,139,143,144,145,147,149,150,152,157,159,160,162,163,164,165 +0415_00591 125,131,133,135,142,145,151,156,158,161,162,163,165 +0415_00592 23,62,66,74,75,79,85,86,98,100,106,109,110,111,112,114,117,118,120,121,122,123,126,129,133,135,136,137,138,140,141,142,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00593 29,48,72,86,102,106,109,112,114,115,116,118,124,126,128,129,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0415_00594 62,65,89,95,96,97,98,105,113,121,125,127,136,137,139,143,144,145,146,150,152,154,156,157,159,161,162,163,164,165 +0415_00595 17,22,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0415_00596 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00597 39,40,48,55,58,60,61,67,69,73,88,90,91,102,106,108,109,112,114,115,116,118,124,126,128,129,130,132,136,139,140,146,147,148,153,155,157,159,160,164 +0415_00598 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00599 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00600 52,62,65,70,75,77,79,80,83,94,95,96,97,105,113,120,121,122,124,125,127,130,133,135,137,139,142,143,144,145,148,150,152,156,157,158,160,161,162,163,164,165 +0415_00601 29,30,48,49,72,74,85,86,89,90,91,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00602 54,72,79,90,91,92,95,109,110,113,114,117,125,126,127,131,133,135,136,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00603 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0415_00604 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0415_00605 47,73,81,85,88,93,105,106,110,113,117,122,125,126,127,133,135,143,145,148,149,152,156,157,158,160,161,162,163,164,165 +0415_00606 29,48,74,102,106,112,113,124,125,126,127,130,140,143,144,145,146,148,149,150,152,157,159,160,162,163,164,165 +0415_00607 29,48,89,102,106,112,113,124,125,126,127,130,136,140,143,145,146,148,152,157,159,162,163,164,165 +0415_00608 29,48,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00609 53,54,72,89,108,109,113,114,115,116,118,123,126,127,128,129,131,132,139,140,143,144,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00610 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00611 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0415_00612 24,50,71,76,78,81,88,89,91,94,97,99,102,104,108,109,111,114,115,116,119,124,126,127,128,129,132,138,139,141,143,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0415_00613 26,50,53,57,66,72,76,83,89,90,91,92,93,95,96,98,99,105,108,109,110,112,114,115,116,117,120,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00614 24,49,56,63,70,71,79,80,94,97,102,104,111,114,116,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0415_00615 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00616 29,48,102,106,108,109,112,113,114,115,116,118,124,125,126,127,128,129,130,140,143,145,146,147,148,149,152,153,155,157,159,160,162,163,164,165 +0415_00617 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00618 29,48,74,102,106,112,113,124,125,126,127,130,140,141,143,144,145,146,148,149,150,152,157,159,160,162,163,164,165 +0415_00619 34,50,66,74,76,99,105,112,115,116,123,125,139,141,144,145,147,149,150,154,157,159,160,162,163,164,165 +0415_00620 41,50,76,97,99,108,109,114,115,116,118,123,125,126,128,129,145,147,149,153,154,155,157,159,160,161,162,163,164,165 +0415_00621 29,48,66,74,102,106,112,113,124,125,126,127,130,136,140,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00622 108,109,114,115,116,118,123,126,128,129,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0415_00623 29,48,74,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00624 89,108,109,113,114,115,116,118,125,126,127,128,129,132,139,143,144,145,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00625 52,62,65,66,70,74,75,77,79,80,83,94,95,96,97,105,112,113,115,120,121,122,124,125,127,130,133,135,137,139,141,142,143,144,145,148,149,150,152,155,156,157,158,160,161,162,163,164,165 +0415_00626 54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,108,109,112,114,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00627 54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00628 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0415_00629 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00630 37,43,77,90,91,104,106,110,111,117,118,129,131,133,142,145,147,151,154,156,158,161,163,164,165 +0415_00631 30,49,85,86,100,112,114,116,122,138,141,148,149,153,155,158,160,161 +0415_00632 37,43,77,106,110,117,125,131,133,135,142,145,151,154,156,158,161,162,163,164,165 +0415_00633 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00634 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00635 74,85,86,93,100,108,111,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00636 72,86,93,109,115,116,118,126,128,129,132,138,140,146,147,149,153,155,157,159,160,164 +0415_00637 30,49,85,86,100,108,111,112,114,115,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00638 75,83,85,86,92,93,96,100,108,110,111,115,116,117,118,121,122,127,132,137,143,147,148,150,153,154,156,158,160,161,164,165 +0415_00639 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00640 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00641 30,49,85,86,100,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00642 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00643 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00644 16,22,30,49,57,74,85,86,93,95,97,100,108,109,112,115,122,132,137,138,141,148,149,152,153,155,157,158,160,161,164,165 +0415_00645 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00646 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00647 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00648 74,85,86,92,93,108,110,111,114,115,116,117,118,122,128,129,132,141,147,148,149,154,155,156,158,160,161,164 +0415_00649 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00650 30,49,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00651 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00652 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00653 13,24,30,49,71,74,85,86,89,93,94,95,100,102,109,111,112,115,116,122,124,125,126,132,138,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00654 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00655 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00656 30,49,74,85,86,93,99,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00657 29,66,74,112,141,148,149,160 +0415_00658 19,34,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00659 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00660 75,83,85,86,92,96,100,108,110,111,114,115,116,117,118,121,122,127,128,129,132,137,138,143,147,148,150,153,154,155,156,158,160,161,164,165 +0415_00661 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00662 29,49,102,124,125,145,148,162,163,164,165 +0415_00663 29,30,39,40,48,49,51,55,58,60,61,67,73,88,102,106,112,118,124,125,129,130,132,136,138,145,146,147,148,153,155,159,162,163,164,165 +0415_00664 29,30,49,112,118,123,125,129,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00665 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00666 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0415_00667 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 diff --git a/processed_data/0415/0415_fingerprints_maccs_isomeric_success.tsv b/processed_data/0415/0415_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..5fabcbfbb --- /dev/null +++ b/processed_data/0415/0415_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,668 @@ +id bits.on +0415_00001 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0415_00002 82,84,90,91,100,104,108,111,114,115,116,118,128,129,147,151,153,155,158,160,161 +0415_00003 92,109,110,113,114,117,126,127,133,135,143,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00004 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00005 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0415_00006 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00007 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00008 72,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0415_00009 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00010 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00011 125,145,152,154,162,163,164,165 +0415_00012 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0415_00013 123,139,154,157,159,162,163,164,165 +0415_00014 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0415_00015 53,54,66,72,89,90,91,104,112,123,131,132,136,139,140,146,152,154,155,157,159,164 +0415_00016 90,91,104,118,123,129,131,132,136,139,140,146,147,154,155,157,159,164 +0415_00017 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0415_00018 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0415_00019 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00020 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00021 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0415_00022 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 +0415_00023 37,38,43,53,54,65,77,79,80,83,89,92,95,96,97,98,105,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0415_00024 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0415_00025 39,40,48,51,55,57,58,60,61,67,69,73,75,85,86,88,90,91,95,98,100,102,104,106,109,111,112,118,120,121,122,124,128,129,130,132,136,137,138,139,140,146,147,148,153,155,157,158,159,161,163,164,165 +0415_00026 33,39,40,43,48,55,58,60,61,67,69,73,84,88,94,102,106,112,117,124,130,131,136,139,146,148,151,156,159,161,164 +0415_00027 28,45,75,77,79,83,85,86,93,96,99,100,108,114,115,116,120,121,122,137,138,142,148,149,153,155,158,160,161,165 +0415_00028 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0415_00029 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00030 29,38,48,49,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,125,126,127,130,131,132,133,135,137,138,139,140,142,143,145,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00031 53,65,82,89,90,91,95,97,98,108,109,113,121,127,129,131,137,138,139,143,144,146,150,152,153,155,156,157,159,160,161,162,163,164,165 +0415_00032 28,29,38,43,48,49,65,69,72,75,77,79,80,83,84,85,86,91,95,96,98,100,102,104,105,106,109,111,112,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,147,148,151,153,155,156,157,158,159,161,162,163,164,165 +0415_00033 53,80,84,131,133,135,142,144,150,151,156,158,160,161,162,163,165 +0415_00034 66,74,75,82,85,95,97,98,100,104,108,109,111,112,115,116,121,122,127,128,129,131,132,137,138,139,141,143,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0415_00035 29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,96,97,98,102,104,105,106,109,110,111,112,117,120,121,122,124,126,127,128,129,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00036 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00037 25,28,38,43,53,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,113,117,120,121,122,126,127,129,131,132,133,135,137,138,139,140,142,143,146,148,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00038 25,37,43,53,65,77,80,82,84,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,142,143,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00039 25,38,65,75,77,79,80,83,84,85,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,133,135,137,142,143,144,148,150,151,154,156,158,160,161,162,163,164,165 +0415_00040 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,144,148,150,151,156,158,160,161,162,163,165 +0415_00041 37,38,43,53,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,148,151,154,156,158,159,160,161,162,163,164,165 +0415_00042 25,38,43,65,75,77,79,80,83,84,85,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,133,135,137,142,143,148,151,154,156,158,160,161,162,163,164,165 +0415_00043 36,37,38,57,62,65,72,75,77,80,81,83,84,85,88,89,91,92,96,97,98,106,110,111,113,117,120,121,122,123,127,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,153,154,156,157,158,159,161,162,163,164,165 +0415_00044 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0415_00045 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00046 75,79,83,84,85,86,91,92,95,96,100,104,110,111,117,118,121,122,127,128,129,132,136,137,138,142,143,147,148,150,151,153,154,155,156,158,159,161,164,165 +0415_00047 25,38,43,47,53,54,59,64,65,73,77,79,80,81,83,84,88,96,98,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0415_00048 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00049 28,29,38,43,48,49,65,69,72,75,77,79,80,83,84,85,95,96,98,100,102,104,105,106,109,112,115,116,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,148,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00050 66,74,91,97,98,104,108,111,112,115,121,127,132,137,141,143,149,151,152,154,156,158,160,161,163,164,165 +0415_00051 30,49,74,85,86,93,112,122,133,135,141,148,149,156,158,160,161,162,163,165 +0415_00052 37,38,43,52,53,65,69,77,79,80,83,89,92,94,96,97,98,105,106,110,113,117,120,121,124,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0415_00053 25,28,38,43,65,72,75,77,79,80,83,84,85,86,91,92,95,96,97,98,100,104,105,106,109,110,113,117,120,121,122,123,126,127,131,132,133,135,136,137,138,139,140,142,143,146,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00054 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00055 29,43,48,49,69,102,106,112,124,130,131,139,146,148,159,162,163,164,165 +0415_00056 36,37,38,57,62,65,72,75,77,80,81,82,83,84,85,88,89,91,92,96,97,98,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,138,139,142,143,144,146,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00057 25,28,38,43,53,65,72,75,77,78,79,80,82,83,84,85,86,90,91,92,95,96,97,98,100,104,105,106,109,110,117,119,120,121,122,126,127,129,131,132,133,135,137,138,139,142,143,144,146,147,148,151,153,155,156,157,158,159,161,162,163,164,165 +0415_00058 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00059 38,52,53,65,69,77,79,80,83,92,94,96,97,98,105,110,113,117,120,121,124,127,131,137,142,143,151,154,156,161,162,163,164,165 +0415_00060 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00061 54,72,74,82,84,90,92,95,97,100,104,109,110,113,116,117,126,127,131,132,138,139,140,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00062 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,144,150,151,154,156,159,160,161,162,163,164,165 +0415_00063 38,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00064 29,43,48,69,102,106,112,113,124,126,127,130,131,139,140,143,146,148,152,157,159,162,163,164,165 +0415_00065 37,43,54,66,74,77,79,83,89,92,95,96,97,106,110,112,117,120,121,127,131,136,137,142,143,149,150,151,154,156,158,159,160,161,164,165 +0415_00066 113,127,131,139,143,152,157,159,162,163,164,165 +0415_00067 37,38,43,47,53,54,59,64,65,73,77,79,80,81,83,88,96,97,98,105,106,110,113,117,120,121,127,131,137,142,143,151,154,156,161,162,163,164,165 +0415_00068 74,85,86,93,97,113,122,127,133,135,139,143,148,149,152,156,157,158,160,161,162,163,164,165 +0415_00069 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00070 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0415_00071 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00072 45,75,85,86,98,99,100,111,114,115,116,118,121,122,128,129,137,138,147,148,153,155,158,160,161,163,165 +0415_00073 36,47,65,81,82,83,88,96,104,108,109,116,120,121,132,137,139,144,147,150,153,155,156,157,160,161,162,164,165 +0415_00074 30,49,75,83,85,86,93,96,100,108,111,112,114,115,116,118,121,122,128,129,137,138,147,148,149,153,155,158,160,161,165 +0415_00075 23,53,80,84,93,106,110,117,123,126,131,133,135,142,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00076 38,52,53,54,57,62,65,72,75,77,79,80,82,83,89,90,91,92,94,95,96,97,98,105,109,110,113,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00077 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00078 38,62,77,78,79,82,83,90,96,100,104,111,119,120,121,137,138,142,147,151,153,156,158,161,162,163,165 +0415_00079 38,57,65,71,77,83,84,94,95,96,97,102,120,121,124,133,135,137,142,151,152,156,158,160,161,162,164,165 +0415_00080 74,85,86,93,100,115,122,148,149,153,155,158,160,161,162,163,165 +0415_00081 23,53,80,84,93,106,110,117,123,126,131,133,135,142,144,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00082 37,38,43,53,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,148,151,154,156,158,159,160,161,162,163,164,165 +0415_00083 53,80,84,92,110,117,123,131,133,135,136,139,142,146,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00084 30,49,74,85,86,93,100,112,115,122,141,148,149,153,155,158,160,161,162,163,165 +0415_00085 53,54,72,92,97,110,113,117,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00086 38,52,54,65,70,74,77,79,80,83,84,86,92,93,94,95,96,97,110,117,119,120,121,122,124,130,131,133,135,137,142,144,148,149,150,151,154,156,158,160,161,162,164,165 +0415_00087 14,38,45,65,67,76,77,80,81,82,84,85,88,90,98,99,100,104,108,109,110,116,117,118,120,121,122,124,125,128,131,132,133,135,136,137,138,139,140,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00088 13,24,62,65,69,71,72,75,91,92,94,98,102,110,113,117,118,121,122,124,127,129,137,139,143,144,145,147,148,150,154,156,159,160,161,162,163,164,165 +0415_00089 29,47,49,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,141,146,148,149,151,154,156,157,158,159,160,161,164 +0415_00090 37,38,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,148,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00091 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00092 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00093 25,38,53,54,57,62,65,72,74,75,77,79,80,82,83,85,86,89,90,91,92,93,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00094 53,54,57,72,89,92,98,110,113,117,123,126,127,131,133,135,136,137,139,140,143,145,146,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00095 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00096 83,90,92,93,95,96,104,108,110,111,117,121,123,126,127,132,136,137,143,146,147,151,154,156,157,158,159,160,161,164,165 +0415_00097 25,38,53,65,77,80,84,97,98,106,109,114,120,121,123,126,131,133,135,137,142,144,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00098 38,77,78,79,82,83,90,96,100,104,111,119,120,121,128,129,137,138,142,147,151,153,155,156,158,161,162,163,165 +0415_00099 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00100 29,43,48,49,66,69,74,102,106,112,124,130,131,139,141,146,148,149,159,160,164 +0415_00101 30,49,75,85,86,93,98,100,108,111,112,114,115,116,118,121,122,128,129,137,138,147,148,149,153,155,158,160,161,163,165 +0415_00102 37,38,65,77,80,84,89,92,93,97,98,106,110,113,117,120,121,126,127,133,135,137,142,143,149,151,156,157,158,159,160,161,162,163,164,165 +0415_00103 65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0415_00104 66,74,80,85,91,98,100,104,108,110,111,112,115,117,118,120,121,122,128,129,131,133,136,137,138,141,142,145,147,148,149,151,153,154,155,156,158,159,160,161,163,164,165 +0415_00105 25,43,53,77,78,80,84,106,119,131,133,135,142,144,150,151,156,158,160,161,162,163,165 +0415_00106 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00107 24,49,56,63,70,71,80,84,89,94,95,102,113,119,122,124,127,130,131,133,135,139,142,143,144,146,148,150,151,152,156,157,158,159,161,162,163,164,165 +0415_00108 30,34,49,50,74,76,78,80,85,86,92,93,99,100,108,110,111,112,115,116,117,118,119,122,138,141,142,147,148,149,153,155,156,157,158,160,161,164 +0415_00109 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00110 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0415_00111 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0415_00112 38,45,75,77,79,83,85,93,96,99,100,108,111,114,115,116,118,120,121,122,137,141,142,147,148,149,150,153,155,156,158,160,161,165 +0415_00113 54,72,82,84,90,95,97,100,104,109,113,126,127,131,132,138,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0415_00114 21,24,38,43,45,49,56,57,63,70,71,76,77,79,82,83,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00115 29,43,48,49,69,90,91,102,104,106,112,114,115,116,118,124,130,131,132,139,146,147,148,153,155,159,160,164 +0415_00116 52,62,65,75,79,80,83,84,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0415_00117 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,139,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00118 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00119 25,43,65,77,79,83,84,96,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0415_00120 23,53,72,80,84,86,90,91,93,106,109,110,115,116,117,123,126,131,132,133,135,138,142,146,147,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00121 24,38,49,56,63,65,70,71,75,77,79,80,82,83,85,94,95,96,97,100,102,104,108,109,111,116,119,120,121,122,124,130,132,133,135,137,138,139,142,144,146,147,148,150,153,155,156,157,158,159,160,161,162,164,165 +0415_00122 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,141,142,143,144,148,149,150,151,154,156,158,160,161,162,163,164,165 +0415_00123 66,74,90,91,98,104,108,111,112,115,116,118,121,137,141,147,149,151,156,158,160,161,163,165 +0415_00124 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0415_00125 74,82,86,90,91,93,100,104,108,115,123,131,132,139,141,149,151,153,154,155,157,158,159,160,161,164 +0415_00126 51,55,58,59,60,61,64,67,73,79,81,82,85,86,88,89,91,92,93,97,100,102,104,108,110,111,112,113,114,116,117,122,124,126,127,129,130,136,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00127 23,84,90,106,109,110,114,117,123,126,131,133,135,142,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00128 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00129 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0415_00130 24,68,69,71,72,92,94,102,110,117,124,131,139,151,154,156,158,159,161,162,163,164,165 +0415_00131 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00132 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0415_00133 52,68,69,74,82,92,93,94,100,104,110,111,116,117,124,131,141,142,149,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00134 25,38,47,59,64,65,77,79,80,81,83,84,88,93,96,98,105,106,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 +0415_00135 28,45,75,77,79,83,85,86,93,96,99,100,108,115,120,121,122,137,138,142,148,153,155,158,160,161,162,163,165 +0415_00136 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00137 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0415_00138 25,38,53,65,72,77,80,84,90,93,98,106,113,120,121,125,126,127,131,133,135,137,142,143,144,145,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00139 29,48,49,93,102,106,112,124,126,130,140,141,146,148,149,157,159,160,164 +0415_00140 25,38,53,54,65,77,79,80,84,85,86,90,91,92,93,95,98,100,104,105,106,110,111,115,117,120,121,122,123,125,131,132,133,135,136,137,139,140,142,145,146,147,148,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00141 36,47,62,77,78,79,81,83,85,86,88,96,100,101,105,106,111,119,120,121,122,128,129,137,138,142,147,148,153,156,158,161,162,163,165 +0415_00142 25,38,53,65,72,77,80,84,89,90,91,93,98,106,113,120,121,125,126,127,131,133,135,137,139,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00143 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00144 38,39,40,48,51,55,58,59,60,61,62,64,65,67,69,73,77,79,81,83,88,96,102,105,106,112,120,121,124,125,130,131,136,137,139,142,145,146,148,151,156,159,161,162,163,164,165 +0415_00145 29,43,48,49,69,102,104,106,112,124,130,131,132,139,146,148,153,155,159,162,163,164,165 +0415_00146 37,66,74,75,77,79,83,85,89,92,93,95,96,97,106,110,112,117,120,121,122,127,136,137,141,142,143,148,149,150,151,154,156,158,159,160,161,164,165 +0415_00147 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00148 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,140,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00149 33,39,40,43,48,55,58,60,61,67,69,73,88,90,91,94,102,104,106,111,112,117,118,124,129,130,131,133,136,139,146,147,148,151,156,158,159,161,163,164,165 +0415_00150 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00151 23,53,80,84,90,106,109,110,114,117,123,126,131,133,135,142,144,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00152 30,49,85,86,100,112,114,116,122,138,141,148,149,153,155,158,160,161,162,163,165 +0415_00153 22,25,38,53,62,65,75,77,79,80,82,83,84,85,90,96,98,99,104,105,106,109,111,120,121,122,131,133,135,137,139,142,148,151,153,155,156,157,158,161,162,163,164,165 +0415_00154 54,72,74,82,90,95,97,100,104,109,113,116,126,127,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00155 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0415_00156 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00157 75,79,83,84,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,127,128,129,132,136,137,142,143,147,148,150,151,153,154,155,156,158,159,160,161,164,165 +0415_00158 66,84,91,101,104,105,111,112,128,133,145,151,156,158,161,163,165 +0415_00159 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,126,127,131,132,137,138,139,142,143,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00160 29,30,86,102,112,114,116,124,132,138,141,148,149,153,155,160,164 +0415_00161 38,62,65,77,79,80,83,96,98,105,120,121,125,137,142,145,151,156,161,162,163,165 +0415_00162 36,47,65,79,81,83,84,88,96,105,120,121,137,142,151,156,158,160,161,162,163,165 +0415_00163 65,98,105,121,125,137,145,149,156,160,161,162,163,165 +0415_00164 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0415_00165 54,75,79,82,83,84,85,90,91,92,95,96,100,104,110,111,117,118,121,122,123,128,129,131,136,137,138,139,140,142,146,147,148,150,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00166 22,25,38,53,62,65,75,77,79,80,83,84,85,90,96,98,99,104,105,106,111,120,121,122,123,131,133,135,137,139,142,148,151,154,156,157,158,159,161,162,163,164,165 +0415_00167 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0415_00168 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0415_00169 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0415_00170 53,80,92,110,117,123,131,133,135,136,139,140,142,146,149,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00171 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0415_00172 24,52,65,69,70,71,75,77,79,80,83,94,95,96,97,102,105,113,117,120,121,122,124,127,130,137,139,142,143,148,156,161,162,163,164,165 +0415_00173 62,75,79,80,83,84,85,89,90,91,92,95,96,98,100,104,105,110,111,117,120,121,122,127,128,129,131,132,133,135,136,137,142,143,144,145,146,147,148,150,151,153,154,156,158,159,161,162,163,164,165 +0415_00174 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00175 38,53,62,65,77,79,80,83,84,96,105,120,121,125,131,133,135,137,142,145,151,156,158,161,162,163,165 +0415_00176 52,53,65,69,70,77,79,80,83,94,95,96,97,105,113,120,121,124,127,130,131,137,139,142,143,151,152,156,157,161,162,163,164,165 +0415_00177 30,34,49,85,86,99,100,112,114,116,122,138,148,149,153,155,158,160,161,162,163,165 +0415_00178 54,79,82,86,91,92,95,100,104,110,111,114,116,117,131,132,133,135,138,141,142,144,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00179 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0415_00180 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00181 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00182 24,38,47,49,56,59,63,64,65,70,71,75,77,79,80,81,83,85,88,93,94,95,96,97,98,102,105,119,120,121,122,124,130,133,135,137,142,144,148,150,151,156,158,159,160,161,162,163,164,165 +0415_00183 57,66,72,75,83,85,86,89,90,91,93,95,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00184 37,43,53,65,77,80,89,92,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,145,151,154,156,159,161,162,163,164,165 +0415_00185 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00186 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,106,112,124,130,136,139,146,148,159,160,162,163,164,165 +0415_00187 30,34,49,74,85,86,93,99,100,112,115,122,141,148,149,153,155,158,160,161,162,163,165 +0415_00188 54,72,82,86,90,91,93,95,97,100,104,109,113,114,115,116,126,127,128,131,132,138,139,143,146,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00189 25,38,43,53,65,72,77,80,84,89,90,92,93,97,98,106,110,113,117,120,121,125,126,127,131,133,135,137,140,141,142,143,144,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00190 19,38,65,75,77,79,85,86,93,98,100,105,111,115,116,120,121,122,125,128,129,135,137,138,142,144,145,147,148,153,156,158,160,161,162,163,165 +0415_00191 26,50,53,54,66,72,74,76,84,85,86,89,90,91,92,93,95,97,99,105,108,110,112,113,116,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00192 53,84,89,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00193 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00194 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0415_00195 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00196 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00197 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,141,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00198 16,22,23,26,45,50,76,79,80,83,84,85,89,90,91,92,93,95,96,97,98,99,100,101,104,105,106,108,109,110,111,112,117,120,121,122,123,126,127,128,131,133,136,137,138,140,142,143,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00199 92,110,117,123,131,133,135,136,139,146,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00200 51,53,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00201 54,84,90,95,104,111,113,123,125,126,127,131,139,140,143,145,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0415_00202 36,47,62,65,80,81,82,83,86,88,90,91,96,98,100,104,105,111,118,120,121,129,137,138,142,145,147,151,153,156,158,161,162,163,165 +0415_00203 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00204 19,62,66,75,85,86,93,100,108,111,112,113,114,115,116,118,121,122,127,128,129,137,138,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00205 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00206 84,92,110,117,151,154,156,158,161,162,163,164,165 +0415_00207 50,54,76,79,84,90,92,95,97,99,104,110,111,114,116,117,123,126,127,131,132,133,136,139,140,141,142,143,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00208 53,66,82,86,90,91,93,97,100,104,112,113,115,118,127,128,129,131,132,139,143,145,147,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00209 38,47,53,54,57,59,62,64,65,72,75,77,79,80,81,82,83,85,88,89,90,91,92,93,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00210 53,92,97,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00211 13,24,66,69,71,74,75,90,94,97,98,102,104,108,111,112,115,121,122,124,127,131,132,137,139,141,143,148,149,150,152,156,157,158,159,160,161,163,164,165 +0415_00212 75,83,85,90,91,92,95,96,100,108,110,111,114,117,118,121,122,123,127,128,129,132,136,137,139,143,146,147,148,150,153,154,155,156,157,158,159,160,161,164,165 +0415_00213 28,45,75,77,79,83,85,86,93,96,99,100,108,111,114,115,116,118,120,121,122,128,129,137,138,142,147,148,149,153,155,158,160,161,165 +0415_00214 47,59,64,65,77,79,81,83,88,89,90,93,96,97,98,105,106,111,113,116,120,121,123,125,126,127,131,137,139,140,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0415_00215 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00216 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0415_00217 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00218 54,57,66,72,74,85,86,89,90,93,95,97,98,99,104,108,111,112,115,116,120,122,123,126,127,128,131,132,133,136,137,139,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00219 65,98,105,121,125,137,145,156,161,162,163,165 +0415_00220 13,23,24,49,52,65,69,71,75,78,79,80,93,94,95,97,98,102,105,106,110,113,117,119,120,121,122,123,124,125,126,127,130,137,140,142,143,144,145,146,148,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00221 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,82,88,89,91,94,97,98,102,106,109,110,112,117,121,124,125,130,131,133,135,136,137,139,140,142,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00222 23,54,75,80,83,85,90,91,95,96,100,104,106,108,110,111,117,118,121,122,123,131,136,137,139,140,142,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00223 25,38,53,65,72,77,80,84,89,93,97,98,106,113,120,121,125,126,127,131,133,135,137,140,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00224 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,161,162,163,165 +0415_00225 54,72,82,92,95,104,109,110,111,117,131,132,133,135,139,151,153,154,155,156,157,158,159,161,162,163,164,165 +0415_00226 37,49,52,57,62,65,70,72,75,77,80,82,83,85,89,91,92,94,95,96,97,98,106,109,110,111,113,117,119,120,121,122,124,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00227 38,62,65,77,79,83,96,105,120,121,125,137,142,145,151,156,161,162,163,165 +0415_00228 38,43,77,78,84,109,113,118,119,125,126,127,128,129,131,132,138,142,143,145,147,151,152,153,155,156,157,158,159,161,162,163,164,165 +0415_00229 54,72,74,82,89,90,92,95,97,100,104,109,110,111,113,114,115,116,117,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00230 24,29,49,52,65,70,71,74,75,77,79,80,83,86,93,94,95,96,97,102,105,106,112,113,117,120,121,122,124,126,127,130,137,141,142,143,148,149,156,158,160,161,162,163,164,165 +0415_00231 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,127,128,129,137,139,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0415_00232 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00233 82,86,100,125,138,145,151,153,155,158,161,162,163,165 +0415_00234 38,62,65,77,79,83,96,105,120,121,125,137,142,145,151,156,160,161,162,163,165 +0415_00235 23,74,85,86,93,100,106,110,113,114,115,117,122,123,126,127,141,142,143,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00236 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0415_00237 38,52,62,65,77,79,80,92,94,95,97,98,110,113,117,120,121,124,125,127,137,142,143,144,145,150,151,154,156,160,161,162,163,164,165 +0415_00238 30,49,74,85,86,93,100,112,115,122,125,138,145,148,149,153,155,158,160,161,162,163,165 +0415_00239 25,53,62,65,75,77,79,80,85,86,92,93,98,100,106,110,111,115,116,117,118,120,121,122,125,129,131,133,135,137,138,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00240 47,59,64,65,77,79,81,83,88,90,93,96,97,98,104,105,106,111,113,116,120,121,125,126,127,131,137,141,142,143,144,145,149,150,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0415_00241 57,66,72,75,83,85,86,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,123,126,127,128,129,137,140,141,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0415_00242 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00243 38,53,62,65,77,79,83,96,97,105,113,120,121,125,127,131,137,139,142,143,144,145,150,151,152,156,157,161,162,163,164,165 +0415_00244 24,37,49,52,56,57,63,70,71,72,75,77,78,79,80,83,89,90,92,94,95,96,97,100,102,104,106,110,111,117,119,120,121,122,124,127,130,132,133,135,136,137,140,142,143,146,148,150,151,152,153,154,156,158,159,161,162,164,165 +0415_00245 38,62,65,77,79,83,93,96,97,105,113,120,121,125,126,127,137,142,143,144,145,150,151,152,156,157,160,161,162,163,164,165 +0415_00246 32,33,36,65,67,69,81,83,88,92,94,96,105,110,113,117,120,121,124,127,137,143,151,154,156,161,162,163,164,165 +0415_00247 53,62,66,82,86,90,91,93,97,100,104,108,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00248 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00249 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0415_00250 53,66,82,84,90,91,93,97,100,104,112,113,118,126,127,128,129,131,132,139,143,145,147,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00251 13,24,30,49,62,66,71,74,85,86,90,91,93,94,97,100,102,104,108,112,113,115,118,122,124,126,127,128,129,132,139,141,143,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00252 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0415_00253 37,38,65,75,77,79,80,83,85,89,90,91,92,93,95,96,97,98,100,104,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,139,141,142,143,144,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00254 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00255 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0415_00256 66,74,75,85,93,97,98,108,111,112,115,116,118,120,121,122,123,126,127,128,129,132,136,137,140,141,142,143,145,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00257 26,50,53,54,66,72,74,76,84,85,86,89,92,93,95,97,99,105,110,112,113,117,122,127,131,133,136,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00258 36,39,40,47,48,51,55,58,59,60,61,64,65,67,69,73,81,83,88,95,96,102,105,106,112,120,121,124,130,136,137,139,146,148,156,159,161,162,163,164,165 +0415_00259 92,93,110,113,117,126,127,133,135,143,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00260 38,62,65,74,77,79,83,85,86,93,96,105,120,121,122,125,133,135,137,142,145,148,149,151,156,158,160,161,162,163,165 +0415_00261 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00262 66,74,91,97,98,104,108,111,112,115,118,120,121,123,126,127,128,129,131,132,136,137,140,141,142,143,145,146,147,149,151,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00263 23,25,43,51,59,60,61,64,65,67,73,77,79,81,83,88,93,96,97,102,105,106,110,117,120,121,123,124,125,126,131,133,135,136,137,142,145,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00264 54,72,92,95,110,117,131,133,135,139,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00265 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00266 66,82,86,90,91,98,100,104,111,112,118,121,125,129,131,137,138,139,145,147,151,152,153,157,158,161,162,163,164,165 +0415_00267 66,84,91,101,104,105,108,111,112,115,128,133,145,149,151,156,158,160,161,163,165 +0415_00268 23,25,43,65,77,79,83,93,96,97,105,106,109,110,113,114,115,117,120,121,123,126,127,131,132,133,135,137,142,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00269 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00270 92,110,117,133,135,151,154,156,158,160,161,162,163,164,165 +0415_00271 29,30,49,112,123,125,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00272 72,85,92,93,95,110,117,122,133,135,139,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00273 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,100,102,104,106,108,109,110,111,112,115,116,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00274 24,32,33,38,51,55,57,58,59,60,61,64,65,67,68,69,71,73,77,81,83,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,139,140,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0415_00275 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0415_00276 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0415_00277 52,62,65,72,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,139,142,143,144,148,149,150,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00278 8,11,36,37,45,47,50,52,54,59,64,65,70,72,75,76,77,79,80,81,83,85,86,88,89,90,91,92,93,94,95,96,97,98,99,100,101,105,106,108,110,111,113,114,116,117,120,121,122,123,124,127,129,130,131,133,136,137,138,139,140,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00279 54,65,72,74,82,83,90,95,96,97,100,104,105,109,113,116,121,125,126,127,131,132,137,138,139,142,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00280 93,113,126,127,139,143,152,157,159,160,162,163,164,165 +0415_00281 82,85,86,92,100,109,110,114,116,117,122,138,139,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00282 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0415_00283 36,39,40,48,51,55,58,60,61,67,69,73,81,83,85,86,88,89,92,93,95,96,97,102,104,106,108,109,110,111,112,115,117,122,124,126,128,130,132,133,135,136,137,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0415_00284 16,22,23,26,45,50,72,76,79,80,83,84,85,89,90,91,92,93,95,96,97,98,99,100,101,104,105,106,108,109,110,111,112,117,120,121,122,123,126,127,128,131,136,137,138,140,141,142,143,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00285 53,54,57,66,72,82,84,89,90,91,93,95,97,98,104,105,108,109,111,112,113,123,125,126,127,128,129,131,132,133,136,137,139,140,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00286 22,54,72,74,82,86,90,95,97,100,104,109,113,116,126,127,128,129,131,132,138,139,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00287 37,38,43,53,65,77,79,80,89,92,95,97,98,105,106,110,113,117,120,121,125,127,131,136,137,142,143,144,145,149,150,151,154,156,159,160,161,162,163,164,165 +0415_00288 39,40,48,49,50,51,55,58,59,60,61,64,67,69,73,76,78,81,85,86,88,99,100,102,106,112,114,116,119,122,124,125,130,131,133,135,136,138,139,140,142,144,145,146,148,149,150,153,155,156,158,159,160,161,162,163,164,165 +0415_00289 32,33,38,51,55,58,59,60,61,64,65,67,69,72,73,77,80,81,84,88,92,93,94,95,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,144,145,146,148,149,150,151,152,156,157,158,159,160,161,162,163,164,165 +0415_00290 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,136,139,145,146,148,159,162,163,164,165 +0415_00291 123,136,139,146,152,154,157,159,160,162,163,164,165 +0415_00292 29,49,66,69,74,102,112,124,141,148,149,160,164 +0415_00293 29,30,49,82,104,109,112,125,132,138,139,145,147,148,153,155,157,162,163,164,165 +0415_00294 30,49,74,85,86,93,95,100,109,111,112,113,115,116,122,125,126,127,129,132,138,143,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00295 19,37,75,77,84,85,97,104,105,106,110,117,121,122,125,127,131,132,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00296 29,30,49,93,112,125,145,148,160,162,163,165 +0415_00297 29,30,49,112,118,123,125,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00298 29,69,102,112,124,125,130,139,145,148,159,162,163,164,165 +0415_00299 19,75,79,80,82,85,86,91,95,98,99,100,104,105,109,111,118,120,121,122,125,128,129,132,135,137,138,139,142,144,145,147,148,153,155,156,157,158,161,162,163,164,165 +0415_00300 13,24,30,49,66,71,74,85,86,90,91,93,94,97,100,102,104,112,113,115,118,122,124,126,127,128,129,132,139,141,143,145,146,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00301 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0415_00302 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,113,117,120,121,125,127,131,136,137,139,142,143,145,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00303 29,30,49,112,115,125,132,145,148,152,153,154,155,160,162,163,164,165 +0415_00304 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00305 19,22,38,62,65,75,77,79,80,85,92,97,98,105,110,111,117,120,121,122,125,127,133,135,137,142,143,144,145,148,151,154,156,158,160,161,162,163,164,165 +0415_00306 57,72,74,83,89,96,98,101,105,109,112,116,120,123,132,137,139,140,141,146,149,152,153,154,157,159,160,163,164,165 +0415_00307 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00308 38,52,62,65,66,69,70,74,75,77,79,80,83,85,91,94,95,96,97,100,111,112,114,115,120,121,122,123,124,125,128,129,130,131,137,139,141,142,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00309 85,86,92,100,110,114,116,117,122,123,136,138,139,146,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00310 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00311 92,93,95,110,113,117,126,127,133,135,143,144,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00312 29,30,49,112,114,125,145,148,153,155,160,162,163,165 +0415_00313 25,37,53,65,74,77,80,93,97,98,106,110,113,117,120,121,126,127,131,133,135,137,141,142,143,149,151,156,157,158,160,161,162,163,164,165 +0415_00314 66,83,89,90,91,92,96,104,105,110,111,112,117,118,121,127,128,129,132,136,137,143,147,151,154,156,158,159,161,163,164,165 +0415_00315 29,48,49,102,106,109,112,114,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0415_00316 29,69,84,94,102,112,117,124,125,130,145,148,151,156,161,162,163,164,165 +0415_00317 19,30,49,66,72,83,85,86,96,97,98,100,105,111,112,118,121,122,123,125,126,127,128,129,132,137,138,139,143,145,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0415_00318 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,140,142,146,148,149,151,152,154,156,158,159,160,161,162,163,164,165 +0415_00319 38,66,74,77,78,79,82,83,90,91,96,100,104,111,112,113,116,119,120,121,127,128,129,131,137,138,139,141,142,143,144,147,149,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0415_00320 72,75,85,86,93,96,98,100,105,111,113,118,121,122,125,126,127,128,129,137,138,143,144,145,146,147,148,149,150,152,153,154,155,157,158,159,160,161,162,163,164,165 +0415_00321 17,38,65,72,77,80,86,93,97,98,105,109,113,115,116,118,120,121,125,126,127,132,133,135,137,138,140,142,143,144,145,146,147,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00322 19,50,57,74,76,85,86,93,99,100,105,109,111,113,115,116,122,125,137,138,144,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00323 17,66,74,85,86,93,99,100,105,112,115,122,123,125,138,139,141,145,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0415_00324 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00325 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,89,93,102,106,112,113,124,125,126,127,130,131,136,139,140,143,144,145,146,148,150,152,154,157,159,160,162,163,164,165 +0415_00326 19,37,75,77,84,85,99,105,106,110,113,117,121,122,125,127,131,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00327 53,54,57,66,72,82,84,89,90,91,93,95,97,98,104,105,108,109,111,112,113,123,125,126,127,128,129,131,132,133,136,137,139,140,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00328 66,90,91,104,112,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,163,164,165 +0415_00329 28,29,30,49,86,93,109,112,115,125,126,145,148,153,155,157,160,162,163,164,165 +0415_00330 28,45,75,77,79,83,85,86,93,96,99,100,108,111,114,115,116,118,120,121,122,128,129,137,138,142,147,148,149,153,155,158,160,161,165 +0415_00331 57,62,65,82,83,89,92,95,96,109,110,111,117,120,121,137,139,153,155,156,157,159,161,162,163,164,165 +0415_00332 32,33,51,55,57,58,59,60,61,64,65,67,69,71,73,79,80,81,83,84,88,89,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,144,146,148,149,150,151,156,158,159,160,161,162,163,164,165 +0415_00333 82,86,93,95,100,104,109,111,115,116,125,126,132,138,145,147,151,152,153,155,157,158,160,161,162,163,164,165 +0415_00334 30,49,78,79,85,86,92,95,100,110,111,112,114,116,117,119,122,125,132,133,135,138,141,142,144,145,148,149,150,153,155,156,157,158,160,161,162,163,164,165 +0415_00335 93,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0415_00336 16,19,22,37,57,75,77,84,85,97,101,105,106,110,117,120,121,122,125,135,137,142,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00337 66,82,83,90,91,92,96,100,104,105,110,111,112,117,118,121,127,128,129,132,137,143,147,151,153,154,156,158,161,163,164,165 +0415_00338 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0415_00339 72,89,93,113,123,126,127,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0415_00340 25,38,62,65,75,77,79,80,82,85,86,91,95,98,100,104,105,106,109,111,118,120,121,122,125,128,129,131,132,133,135,137,138,139,140,142,145,146,147,148,153,155,156,157,158,159,161,162,163,164,165 +0415_00341 37,43,77,82,90,91,100,104,106,110,111,114,117,118,129,131,133,142,147,151,153,154,155,156,158,160,161,163,164,165 +0415_00342 92,110,117,133,135,149,151,154,156,158,160,161,162,163,164,165 +0415_00343 29,30,49,74,112,125,145,148,149,160,162,163,165 +0415_00344 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00345 29,30,49,93,112,116,123,125,126,132,145,148,153,154,155,157,159,160,162,163,164,165 +0415_00346 23,24,71,78,79,81,88,93,94,95,102,106,110,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0415_00347 36,47,65,81,83,88,96,105,106,110,113,117,120,121,127,137,143,151,154,156,161,162,163,164,165 +0415_00348 22,29,30,49,112,125,145,148,162,163,165 +0415_00349 75,79,83,85,90,91,92,95,96,101,104,105,108,109,110,111,114,117,118,121,122,123,126,128,129,131,136,137,139,140,142,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00350 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00351 93,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0415_00352 19,37,75,77,84,85,97,99,105,106,110,113,117,121,122,125,127,131,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00353 17,29,30,49,112,125,145,148,153,155,162,163,165 +0415_00354 84,90,108,114,133,135,144,149,150,151,155,156,158,160,161,162,163,165 +0415_00355 29,30,49,57,89,98,109,112,118,120,123,125,128,129,132,137,138,145,147,148,153,155,157,159,162,163,164,165 +0415_00356 36,59,74,75,79,81,85,86,88,93,98,100,105,111,115,116,120,121,122,125,135,137,141,142,144,145,148,149,153,155,156,158,160,161,162,163,165 +0415_00357 29,30,49,108,109,112,114,123,125,126,129,132,138,145,148,153,154,155,157,159,160,162,163,164,165 +0415_00358 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,144,149,150,151,156,160,161,162,163,165 +0415_00359 29,48,69,90,91,102,106,109,112,114,115,116,118,124,126,128,130,132,138,139,140,146,147,148,149,153,155,157,159,160,164 +0415_00360 38,52,62,65,69,70,77,79,80,83,94,96,120,121,123,124,125,130,131,137,139,142,144,145,150,151,154,156,157,159,161,162,163,164,165 +0415_00361 29,30,49,108,109,112,114,123,125,126,145,148,149,153,154,155,157,159,160,162,163,164,165 +0415_00362 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0415_00363 29,48,69,102,106,112,113,124,125,126,127,130,139,140,143,145,146,148,152,157,159,162,163,164,165 +0415_00364 57,66,83,84,89,96,98,105,112,113,120,123,125,127,131,133,135,137,139,140,143,144,145,146,151,152,154,156,157,158,159,161,162,163,164,165 +0415_00365 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00366 53,54,66,72,74,80,82,84,86,89,90,91,92,93,95,97,100,104,108,109,110,111,112,113,115,116,117,118,126,127,128,129,131,132,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00367 36,72,81,83,85,86,88,92,93,95,96,109,110,111,115,117,122,123,126,133,135,136,137,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0415_00368 66,74,104,112,115,123,131,132,139,141,146,149,152,154,155,157,159,160,162,163,164,165 +0415_00369 54,66,72,74,82,89,90,104,109,112,113,125,126,127,131,132,138,139,140,143,145,146,149,152,153,155,157,159,160,162,163,164,165 +0415_00370 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,102,104,106,108,109,110,111,112,114,115,117,122,124,126,128,130,132,133,135,136,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00371 47,57,59,64,65,73,81,83,88,95,96,105,106,110,117,120,121,137,151,152,156,161,162,163,164,165 +0415_00372 29,30,49,93,108,112,116,118,123,125,126,129,132,145,147,148,153,154,155,157,159,160,162,163,164,165 +0415_00373 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00374 23,53,72,80,86,90,91,93,106,109,110,115,116,117,118,123,126,131,132,133,135,136,138,140,141,142,144,146,147,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00375 29,30,49,65,98,111,112,121,125,137,145,148,153,155,156,161,162,163,165 +0415_00376 66,74,75,85,93,97,98,108,111,112,115,116,118,121,122,123,126,127,128,129,132,136,137,140,141,143,146,147,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0415_00377 82,92,100,110,114,117,149,151,153,154,155,156,158,160,161,162,163,164,165 +0415_00378 53,89,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00379 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00380 23,24,66,71,74,78,79,81,88,93,94,95,102,106,110,112,117,119,123,124,126,141,142,149,151,154,156,157,158,159,160,161,164 +0415_00381 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00382 36,81,82,83,86,88,93,96,97,100,104,105,111,113,115,116,125,126,127,132,137,143,145,147,151,152,153,155,157,158,160,161,162,163,164,165 +0415_00383 29,30,49,84,90,112,125,133,135,144,145,148,150,151,153,155,156,158,161,162,163,165 +0415_00384 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00385 23,93,106,110,117,123,126,133,135,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00386 90,115,123,131,136,139,140,146,149,154,155,157,159,160,162,163,164,165 +0415_00387 105,113,123,125,127,131,139,143,145,146,152,154,157,159,160,162,163,164,165 +0415_00388 65,97,98,105,113,121,125,127,137,143,145,151,152,154,156,161,162,163,164,165 +0415_00389 24,29,30,49,56,69,70,71,94,102,112,122,124,125,130,133,135,139,145,148,153,155,156,158,159,161,162,163,164,165 +0415_00390 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00391 123,139,154,157,159,160,162,163,164,165 +0415_00392 23,25,43,59,64,65,77,79,81,83,88,93,96,97,105,106,110,114,115,117,120,121,123,126,131,133,135,137,142,147,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00393 123,139,154,157,159,160,162,163,164,165 +0415_00394 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29,48,49,102,106,109,112,114,115,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0415_00504 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0415_00505 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,119,121,122,123,124,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0415_00506 30,49,72,74,85,86,93,95,108,111,112,113,114,115,116,118,122,126,127,128,129,141,143,144,146,147,148,149,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00507 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0415_00508 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0415_00509 53,89,113,125,127,131,139,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00510 50,76,89,93,99,113,123,126,127,136,140,141,143,146,149,152,154,157,159,160,162,163,164,165 +0415_00511 37,43,77,90,91,104,106,110,111,117,118,129,131,133,135,142,144,145,147,150,151,154,156,158,160,161,162,163,164,165 +0415_00512 26,50,57,66,72,76,82,83,89,91,96,99,101,104,105,108,109,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00513 37,43,77,106,110,117,125,131,133,135,142,144,145,149,150,151,154,156,158,160,161,162,163,164,165 +0415_00514 113,125,126,127,139,143,145,152,157,159,162,163,164,165 +0415_00515 39,40,48,55,58,60,61,66,67,69,73,88,96,102,105,106,108,112,113,115,116,118,124,126,127,128,129,130,132,136,139,140,143,144,145,146,147,148,150,152,154,157,159,160,162,163,164,165 +0415_00516 24,49,54,56,63,70,71,72,89,94,95,97,102,113,119,122,124,125,127,130,131,133,135,136,139,140,143,144,145,146,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00517 29,30,86,102,112,114,115,116,118,124,128,129,132,138,141,147,148,149,153,155,160,164 +0415_00518 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,150,152,154,157,159,160,163,164,165 +0415_00519 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0415_00520 30,49,74,85,86,93,95,100,108,111,112,114,115,116,118,122,123,126,128,129,141,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00521 30,49,74,85,86,93,95,108,111,112,113,114,115,116,118,122,126,127,128,129,141,143,147,148,149,152,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00522 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00523 30,49,66,72,74,85,86,93,95,100,109,111,112,113,115,116,118,122,125,126,127,128,129,132,138,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00524 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0415_00525 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0415_00526 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00527 29,30,86,102,112,124,125,132,138,145,148,153,155,162,163,164,165 +0415_00528 17,26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0415_00529 30,49,74,85,86,93,95,100,108,109,111,112,114,115,116,118,122,123,126,128,129,138,141,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00530 89,93,113,125,126,127,131,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00531 38,50,53,54,57,65,72,76,77,79,80,83,85,89,92,93,95,96,97,98,99,105,110,112,113,117,120,121,122,123,125,126,127,131,135,136,137,139,140,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00532 74,82,90,91,92,100,108,110,114,115,116,117,128,129,141,147,149,150,151,153,154,155,156,158,160,161,163,164,165 +0415_00533 113,123,125,126,127,139,143,145,146,152,154,157,159,160,162,163,164,165 +0415_00534 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0415_00535 32,33,36,65,67,75,81,83,88,92,94,96,100,108,110,111,113,114,115,116,117,118,120,121,122,124,127,128,129,137,143,144,147,148,150,153,154,155,156,158,160,161,162,164,165 +0415_00536 23,54,74,79,92,95,106,110,117,123,126,131,136,141,142,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0415_00537 30,49,74,85,86,93,95,100,108,109,111,112,113,114,115,116,118,122,126,127,128,129,132,138,141,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0415_00538 17,26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0415_00539 32,33,38,51,55,58,59,60,61,62,64,65,66,67,69,72,73,74,77,79,80,81,82,88,92,93,94,95,97,98,102,104,106,109,110,112,113,117,120,121,124,125,126,127,130,131,132,133,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00540 36,47,59,64,65,81,83,88,93,96,105,106,120,121,137,156,160,161,162,163,165 +0415_00541 29,30,49,70,94,112,119,124,125,130,145,148,156,161,162,163,165 +0415_00542 30,49,66,72,74,85,86,93,95,100,108,109,111,112,113,115,116,118,122,125,126,127,128,129,132,138,141,143,144,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00543 24,45,49,50,56,62,63,70,71,76,93,94,97,98,99,102,109,114,119,121,122,123,124,126,130,133,135,136,137,140,141,142,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00544 17,66,74,104,112,115,131,132,139,141,149,152,155,157,159,160,164 +0415_00545 28,36,41,47,59,64,65,81,83,88,96,105,106,120,121,137,142,153,155,156,161,162,163,165 +0415_00546 50,66,74,76,98,99,105,112,121,135,137,141,144,145,149,151,156,158,160,161,162,163,165 +0415_00547 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0415_00548 72,85,86,92,95,100,105,108,110,113,114,116,117,122,125,126,127,138,141,143,145,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00549 57,62,89,98,105,113,125,127,132,137,143,144,145,152,154,157,159,162,163,164,165 +0415_00550 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00551 23,36,37,47,53,54,65,74,77,79,81,83,85,86,88,90,91,92,93,95,96,97,100,104,106,109,110,111,115,117,120,121,122,123,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00552 89,93,113,125,126,127,131,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0415_00553 30,49,74,85,86,93,95,100,108,109,111,112,114,115,116,118,122,126,128,129,132,138,141,147,148,149,153,155,157,158,160,161,162,163,164,165 +0415_00554 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00555 29,48,49,74,102,106,112,113,124,125,126,127,130,140,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00556 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0415_00557 89,90,104,108,109,113,114,115,116,123,126,127,129,131,132,139,140,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00558 29,67,73,81,88,93,102,106,108,109,112,114,123,124,126,128,129,130,132,136,138,140,141,146,148,149,153,154,155,157,159,160,164 +0415_00559 45,75,85,86,98,99,100,108,111,114,115,116,118,121,122,128,129,137,138,147,148,153,155,158,160,161,163,165 +0415_00560 89,113,125,127,139,143,144,145,150,152,154,157,159,162,163,164,165 +0415_00561 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00562 23,25,43,59,64,72,77,78,79,81,86,88,92,93,95,97,104,106,109,110,111,115,117,119,123,125,126,131,132,133,135,136,140,141,142,144,145,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00563 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0415_00564 36,59,81,88,98,105,120,121,125,135,137,144,145,151,156,158,161,162,163,165 +0415_00565 24,71,78,79,89,92,93,94,95,97,102,108,109,110,113,117,119,124,125,126,127,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00566 54,66,72,90,91,96,104,105,108,109,112,113,115,116,118,125,126,127,128,129,131,132,139,143,144,145,146,147,150,152,153,155,157,159,160,162,163,164,165 +0415_00567 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0415_00568 30,49,74,85,86,93,95,100,108,109,111,112,114,115,116,118,122,123,126,128,129,132,138,141,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00569 41,50,76,97,99,109,114,123,125,126,145,153,154,155,157,159,160,161,162,163,164,165 +0415_00570 41,50,76,97,99,123,125,139,145,154,157,159,161,162,163,164,165 +0415_00571 26,50,66,72,76,96,99,105,108,112,115,116,118,123,126,127,128,129,132,136,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0415_00572 36,47,59,64,65,81,83,88,96,105,106,114,120,121,137,153,155,156,160,161,162,163,165 +0415_00573 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0415_00574 41,50,76,90,97,99,104,108,109,114,115,116,123,125,126,129,132,139,145,146,147,149,152,153,154,155,157,159,160,161,162,163,164,165 +0415_00575 14,33,36,47,57,58,59,64,65,67,75,80,81,83,86,88,94,95,96,98,100,105,106,109,111,118,120,121,122,124,129,130,132,137,138,142,145,147,148,153,156,157,158,161,162,163,164,165 +0415_00576 24,49,56,63,66,70,71,74,89,94,95,102,112,113,119,122,124,125,127,130,131,133,135,136,139,140,142,143,144,145,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0415_00577 24,49,56,63,66,70,71,74,80,89,94,95,102,112,113,119,122,124,127,130,133,135,136,139,140,141,142,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0415_00578 29,48,49,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0415_00579 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00580 29,48,49,74,102,106,109,112,115,124,126,128,130,138,140,141,146,148,149,153,155,157,159,160,164 +0415_00581 29,48,49,102,106,112,113,124,125,126,127,130,140,143,145,146,148,152,157,159,162,163,164,165 +0415_00582 29,30,72,102,112,124,125,136,141,144,145,148,149,150,154,159,160,162,163,164,165 +0415_00583 37,77,85,86,90,91,100,104,106,110,111,117,118,122,125,129,133,138,142,145,147,148,151,153,154,155,156,158,161,162,163,164,165 +0415_00584 24,29,48,49,56,63,67,70,71,81,88,94,102,106,109,112,113,114,119,122,124,126,127,128,130,133,135,138,140,143,146,148,149,152,153,155,156,157,158,159,160,161,162,163,164,165 +0415_00585 62,89,96,105,125,127,136,143,144,145,150,152,154,159,162,163,164,165 +0415_00586 29,66,69,74,86,91,102,104,108,112,115,124,128,130,132,138,139,141,148,149,153,155,159,160,164 +0415_00587 29,30,49,67,81,88,112,124,125,145,148,162,163,165 +0415_00588 29,38,48,49,65,67,74,77,80,81,88,92,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,141,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0415_00589 57,72,105,109,118,120,123,125,127,132,136,137,138,140,143,145,146,147,153,154,157,159,162,163,164,165 +0415_00590 17,66,90,91,93,96,104,105,108,112,113,115,116,118,126,127,128,129,132,139,143,144,145,147,149,150,152,157,159,160,162,163,164,165 +0415_00591 125,131,133,135,142,145,151,156,158,161,162,163,165 +0415_00592 23,62,66,74,75,79,85,86,98,100,106,109,110,111,112,114,117,118,120,121,122,123,126,129,133,135,136,137,138,140,141,142,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00593 29,48,49,72,86,102,106,109,112,114,115,116,118,124,126,128,129,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 +0415_00594 62,65,89,95,96,97,98,105,113,121,125,127,136,137,139,143,144,145,146,150,152,154,156,157,159,161,162,163,164,165 +0415_00595 17,22,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0415_00596 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00597 39,40,48,55,58,60,61,67,69,73,88,90,91,102,106,108,109,112,114,115,116,118,124,126,128,129,130,132,136,139,140,146,147,148,153,155,157,159,160,164 +0415_00598 29,30,48,49,72,74,85,86,89,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00599 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161,162,163,165 +0415_00600 52,62,65,70,75,77,79,80,83,94,95,96,97,105,113,120,121,122,124,125,127,130,133,135,137,139,142,143,144,145,148,150,152,156,157,158,160,161,162,163,164,165 +0415_00601 29,30,48,49,72,74,85,86,89,90,91,93,95,100,102,104,106,108,109,111,112,114,115,116,118,122,123,124,126,128,129,130,132,136,138,139,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 +0415_00602 54,72,79,90,91,92,95,109,110,113,114,117,125,126,127,131,133,135,136,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0415_00603 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0415_00604 47,81,85,86,88,100,106,108,110,111,114,115,117,118,122,128,129,138,147,148,149,153,154,155,156,158,160,161,162,163,164,165 +0415_00605 47,73,81,85,88,93,105,106,110,113,117,122,125,126,127,133,135,143,145,148,149,152,156,157,158,160,161,162,163,164,165 +0415_00606 29,48,49,74,102,106,112,113,124,125,126,127,130,140,143,144,145,146,148,149,150,152,157,159,160,162,163,164,165 +0415_00607 29,48,49,89,102,106,112,113,124,125,126,127,130,140,143,145,146,148,152,157,159,162,163,164,165 +0415_00608 29,48,49,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00609 53,54,72,89,108,109,113,114,115,116,118,123,126,127,128,129,131,132,139,140,143,144,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00610 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00611 22,34,50,66,74,76,89,96,99,108,112,116,123,126,127,128,129,132,136,141,143,146,149,150,152,154,155,157,159,160,164,165 +0415_00612 24,50,71,76,78,81,88,89,91,94,97,99,102,104,108,109,111,114,115,116,119,124,126,127,128,129,132,138,139,141,143,146,147,149,150,152,153,154,155,156,157,159,160,161,163,164,165 +0415_00613 26,50,53,57,66,72,76,83,89,90,91,92,93,95,96,98,99,105,108,109,110,112,114,115,116,117,120,123,126,127,128,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0415_00614 24,49,56,63,70,71,79,80,94,97,102,104,111,114,116,119,122,124,130,133,135,136,140,141,142,144,146,148,149,150,151,155,156,158,159,160,161,162,163,164,165 +0415_00615 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00616 29,48,49,102,106,108,109,112,113,114,115,116,118,124,125,126,127,128,129,130,140,143,145,146,147,148,149,152,153,155,157,159,160,162,163,164,165 +0415_00617 29,30,49,86,108,112,114,115,116,118,128,129,138,141,147,148,149,153,155,160 +0415_00618 29,48,49,74,102,106,112,113,124,125,126,127,130,140,141,143,144,145,146,148,149,150,152,157,159,160,162,163,164,165 +0415_00619 34,50,66,74,76,99,105,112,115,116,123,125,139,141,144,145,147,149,150,154,157,159,160,162,163,164,165 +0415_00620 41,50,76,97,99,108,109,114,115,116,118,123,125,126,128,129,145,147,149,153,154,155,157,159,160,161,162,163,164,165 +0415_00621 29,48,49,66,74,102,106,112,113,124,125,126,127,130,140,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00622 108,109,114,115,116,118,123,126,128,129,132,136,138,140,144,146,147,149,150,153,154,155,157,159,160,162,163,164,165 +0415_00623 29,48,49,74,102,106,112,113,124,125,126,127,130,140,141,143,145,146,148,149,152,157,159,160,162,163,164,165 +0415_00624 89,108,109,113,114,115,116,118,125,126,127,128,129,132,139,143,144,145,146,147,150,152,153,154,155,157,159,160,162,163,164,165 +0415_00625 52,62,65,66,70,74,75,77,79,80,83,94,95,96,97,105,112,113,115,120,121,122,124,125,127,130,133,135,137,139,141,142,143,144,145,148,149,150,152,155,156,157,158,160,161,162,163,164,165 +0415_00626 54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,108,109,112,114,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00627 54,57,62,66,72,82,83,89,90,91,93,96,98,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00628 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0415_00629 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00630 37,43,77,90,91,104,106,110,111,117,118,129,131,133,142,145,147,151,154,156,158,161,163,164,165 +0415_00631 30,49,85,86,100,112,114,116,122,138,141,148,149,153,155,158,160,161 +0415_00632 37,43,77,106,110,117,125,131,133,135,142,145,151,154,156,158,161,162,163,164,165 +0415_00633 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00634 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00635 74,85,86,93,100,108,111,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00636 72,86,93,109,115,116,118,126,128,129,132,138,140,146,147,149,153,155,157,159,160,164 +0415_00637 30,49,85,86,100,108,111,112,114,115,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00638 75,83,85,86,92,93,96,100,108,110,111,115,116,117,118,121,122,127,132,137,143,147,148,150,153,154,156,158,160,161,164,165 +0415_00639 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00640 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00641 30,49,85,86,100,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00642 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00643 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00644 16,22,30,49,57,74,85,86,93,95,97,100,108,109,112,115,122,132,137,138,141,148,149,152,153,155,157,158,160,161,164,165 +0415_00645 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00646 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00647 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00648 74,85,86,92,93,108,110,111,114,115,116,117,118,122,128,129,132,141,147,148,149,154,155,156,158,160,161,164 +0415_00649 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00650 30,49,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00651 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00652 30,49,74,85,86,93,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00653 13,24,30,49,71,74,85,86,89,93,94,95,100,102,109,111,112,115,116,122,124,125,126,132,138,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0415_00654 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00655 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00656 30,49,74,85,86,93,99,100,108,111,112,114,115,116,118,122,128,129,141,147,148,149,153,155,158,160,161 +0415_00657 29,66,74,112,141,148,149,160 +0415_00658 19,34,50,53,54,57,66,72,76,82,89,90,91,96,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0415_00659 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00660 75,83,85,86,92,96,100,108,110,111,114,115,116,117,118,121,122,127,128,129,132,137,138,143,147,148,150,153,154,155,156,158,160,161,164,165 +0415_00661 30,49,85,86,100,108,111,112,114,115,116,118,122,128,129,138,141,147,148,149,153,155,158,160,161 +0415_00662 29,49,102,124,125,145,148,162,163,164,165 +0415_00663 29,30,39,40,48,49,51,55,58,60,61,67,73,88,102,106,112,118,124,125,129,130,132,136,138,145,146,147,148,153,155,159,162,163,164,165 +0415_00664 29,30,49,112,118,123,125,129,132,145,147,148,153,154,155,157,159,162,163,164,165 +0415_00665 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0415_00666 30,49,74,85,86,93,95,100,108,109,111,112,115,116,122,123,126,132,138,141,147,148,149,153,154,155,157,158,159,160,161,164 +0415_00667 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 diff --git a/processed_data/0415/0415_fingerprints_pubchem_canonical_success.tsv b/processed_data/0415/0415_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..d8a328825 --- /dev/null +++ b/processed_data/0415/0415_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,668 @@ +id bits.on +0415_00001 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0415_00002 10,11,12,15,284,285,286,300,333,345,346,352,366,375,394,529,583,593,644,680,684,689,697 +0415_00003 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0415_00004 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00005 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00006 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00007 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00008 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00009 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00010 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0415_00011 10,11,12,19,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,697,698,705,709,710,711 +0415_00012 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0415_00013 10,11,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711 +0415_00014 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0415_00015 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0415_00016 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0415_00017 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00018 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00019 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0415_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0415_00021 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00022 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00023 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00024 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0415_00025 10,11,15,19,20,21,34,179,181,182,284,285,286,287,294,309,333,345,346,347,350,352,353,354,366,367,369,391,392,406,409,415,458,459,460,466,541,567,614,615,616,657,660 +0415_00026 15,19,20,34,300,306,309,409,459,460 +0415_00027 10,11,15,16,144,149,150,284,285,286,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,637,655 +0415_00028 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0415_00029 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00030 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,457,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0415_00031 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0415_00032 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0415_00033 10,11,15,16,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,594,596,600,601,602,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00034 10,11,12,15,19,20,179,181,182,284,285,286,287,309,333,334,337,340,341,342,345,346,347,352,353,366,367,375,391,392,407,541,567,572,583,593,614,618,638,639,657,660,680,684,689,698,709,710 +0415_00035 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0415_00036 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0415_00037 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,586,594,597,602,603,612,613,614,618,622,625,629,637,640,648,655,658,663,664,674,675 +0415_00038 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0415_00039 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0415_00040 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0415_00041 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00042 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,648,655,658,674,675 +0415_00043 10,11,12,15,16,19,20,21,34,144,147,179,181,182,256,257,284,285,286,287,294,300,309,333,345,346,347,350,352,353,354,356,359,366,367,369,371,372,373,374,376,377,379,380,381,385,388,390,391,392,394,397,398,404,406,407,413,417,419,421,435,436,439,441,442,443,444,446,447,448,450,451,452,453,454,463,465,473,483,485,488,492,496,503,505,507,508,517,520,522,524,531,538,539,540,541,546,547,550,556,561,568,573,577,586,594,597,602,606,613,614,615,622,629,637,644,646,647,648,655,657,658,659,663,664,675 +0415_00044 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0415_00045 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0415_00046 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0415_00047 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,422,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,509,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0415_00048 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0415_00049 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0415_00050 10,11,12,15,19,179,181,182,284,285,286,287,300,333,334,337,341,342,345,352,353,375,391,393,394,421,433,444,536,580,581,583,593,614,644,657,680,684,689,698,709,710 +0415_00051 10,11,12,15,179,180,256,284,285,286,333,341,345,352,356,366,371,372,375,377,378,385,391,392,417,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684 +0415_00052 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,494,496,497,505,507,516,518,520,523,524,528,531,536,539,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,636,637,645,646,648,651,655,658,673,674,675 +0415_00053 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,341,345,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,441,442,443,444,448,450,451,452,453,454,463,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,538,539,541,546,548,550,554,556,561,568,570,573,581,586,594,597,602,603,606,612,613,614,622,625,629,637,648,655,658,663,664,674,675 +0415_00054 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00055 10,11,19,20,31,179,180,256,284,285,293,309,315,333,345,356,371,372,385,412,417,426,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00056 10,11,12,15,16,19,20,34,144,147,179,181,182,256,257,284,285,286,287,294,300,309,333,345,346,347,350,352,353,354,356,359,366,367,369,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,413,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,508,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,586,594,597,602,613,614,615,622,629,637,644,646,647,648,655,657,658,659,663,664,675 +0415_00057 10,11,12,15,16,17,19,20,144,146,147,179,184,185,256,257,284,285,286,287,300,309,333,341,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,393,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,462,465,473,483,485,486,488,492,496,500,505,507,520,522,524,539,540,541,546,548,549,550,561,567,568,570,572,573,574,586,594,597,612,613,614,618,637,639,655,658,660,663,664,668,675 +0415_00058 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00059 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0415_00060 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0415_00061 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,463,471,477,491,499,517,521,525,529,536,538,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,684,685,689,690,691,693,697,699,701,702,705,709,710,711,715,778 +0415_00062 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0415_00063 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0415_00064 10,11,19,20,21,31,179,180,256,284,285,287,309,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00065 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,334,337,341,345,352,353,375,376,391,393,394,421,440,444,452,536,537,561,570,603,612,614,637,644,646,648,651,655 +0415_00066 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0415_00067 10,11,15,16,17,19,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,422,432,438,439,442,443,448,450,451,452,454,465,473,483,485,486,488,489,492,496,500,505,507,509,512,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,646,648,655,658,675 +0415_00068 10,11,12,15,19,179,180,256,284,285,286,287,309,333,341,342,345,352,353,356,366,371,372,375,377,378,382,383,385,391,392,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0415_00069 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0415_00070 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0415_00071 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0415_00072 10,11,12,15,179,184,185,284,285,286,333,345,346,352,366,375,391,392,417,435,442,446,447,450,465,503,517,525,541,565,593,600,614,657,665 +0415_00073 10,11,15,19,34,144,146,147,256,257,284,285,286,287,294,309,333,341,345,347,352,353,354,356,358,359,366,367,369,374,375,377,384,388,391,397,404,407,413,417,419,422,432,438,442,443,448,450,454,473,474,475,476,481,483,490,491,492,496,501,507,508,509,522,524,525,532,534,539,540,541,546,557,571,572,583,586,587,593,614,618,635,638,642,656,658,661,666,669,679,681,683 +0415_00074 10,11,12,15,144,146,147,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00075 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,352,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,750,813 +0415_00076 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,301,309,333,334,340,342,345,346,347,352,353,356,357,359,360,366,367,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,397,400,401,404,406,407,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,524,528,529,531,536,539,541,546,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,617,618,622,625,629,637,638,639,640,645,647,648,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0415_00077 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00078 10,11,12,15,16,144,149,150,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,376,385,391,393,394,417,419,431,435,439,442,443,447,451,454,465,471,488,491,517,520,521,525,529,539,541,550,553,556,557,565,570,571,577,579,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00079 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,302,333,342,345,352,353,356,359,371,372,375,376,377,379,380,382,385,388,394,396,417,419,421,424,433,435,439,442,443,444,447,450,451,455,465,491,494,499,503,515,524,525,531,536,539,540,542,543,546,547,549,550,554,556,557,559,571,574,581,593,600,601,625,634,639,644,653,666,674 +0415_00080 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0415_00081 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,352,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,750,759,813,822 +0415_00082 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00083 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,594,596,598,600,601,602,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,750,801,813 +0415_00084 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0415_00085 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,565,568,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,632,634,635,638,639,641,642,644,646,652,653,656,657,658,661,664,665,666,668,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0415_00086 10,11,15,16,17,19,144,146,147,256,257,284,285,286,287,300,301,333,341,352,353,356,358,359,366,374,375,376,377,379,380,388,390,391,393,394,397,400,401,404,417,419,421,423,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,536,537,539,541,546,548,550,554,561,570,573,581,586,594,597,603,612,614,625,637,655,658,674,675 +0415_00087 10,11,12,13,15,16,17,18,19,20,21,34,35,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,309,333,334,341,345,346,347,352,353,354,356,357,359,360,366,367,371,373,374,375,376,377,379,380,385,388,390,391,392,394,397,404,407,417,419,421,431,436,438,439,442,443,446,447,448,449,450,451,452,454,465,473,483,485,488,491,492,496,505,507,520,522,524,525,531,539,540,541,546,550,556,557,561,572,573,577,586,594,597,600,602,614,618,622,629,637,642,646,647,655,657,658,661,675,679 +0415_00088 10,11,12,15,19,20,179,180,181,182,186,256,257,284,285,286,287,302,309,333,334,336,341,345,352,353,356,357,358,359,371,372,375,377,382,385,388,391,396,397,404,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,483,491,494,496,503,507,515,521,524,525,531,536,539,540,546,547,550,553,554,556,557,565,571,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,646,657,658,661,665,666,669,672,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711 +0415_00089 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0415_00090 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00091 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0415_00092 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,736,741,799,804 +0415_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00094 10,11,12,15,19,20,21,22,179,180,182,186,256,284,285,286,287,300,309,333,340,341,342,345,347,348,352,353,356,367,368,371,372,375,377,378,381,382,383,385,391,393,394,406,407,417,421,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,503,517,521,525,536,538,542,543,546,547,549,550,553,557,564,565,566,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,600,601,604,605,606,607,608,609,611,614,615,618,619,620,621,627,629,633,634,635,638,640,641,642,643,644,646,652,656,657,658,661,662,663,664,665,666,667,669,678,679,680,681,682,683,684,685,687,690,691,693,694,701,702,706,722,785 +0415_00095 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,385,391,393,394,407,415,417,431,435,438,442,447,450,458,460,465,471,491,503,517,521,525,529,541,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,593,596,600,601,604,608,609,614,618,619,620,634,635,638,641,642,644,656,657,660,661,665,666,668,669,678,679,680,681,684,689,690,692,697,699,704,709,710,711,717,780 +0415_00096 10,11,15,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,367,375,381,391,393,394,406,421,440,441,444,452,453,529,536,537,541,567,580,583,593,603,614,616,638,644,646,647,657,660,681,684,685,686,692,694,695,696 +0415_00097 10,11,15,16,17,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,379,380,381,385,388,390,391,394,397,404,406,417,419,421,431,436,439,441,442,443,444,446,447,448,450,451,453,454,465,473,483,485,488,492,494,496,505,507,520,522,524,531,536,539,541,546,549,550,554,556,561,573,574,577,581,586,594,595,597,602,605,614,615,622,625,629,637,639,655,658,667,673,674,675 +0415_00098 10,11,12,15,16,144,149,150,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,376,385,391,393,394,417,419,431,435,439,442,443,447,451,454,471,488,491,517,520,521,525,529,539,540,541,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00099 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0415_00100 10,11,19,20,31,284,285,293,309,315,333,334,345,375,412,426,457 +0415_00101 10,11,12,15,179,181,182,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,684 +0415_00102 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,367,371,372,375,376,377,379,380,382,385,388,390,391,394,397,404,406,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,586,590,594,595,597,602,605,614,622,627,629,637,639,644,653,655,658,667,675 +0415_00103 10,11,12,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,496,503,507,517,521,524,525,531,536,539,540,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0415_00104 10,11,12,13,15,16,17,19,20,179,181,182,186,188,189,284,285,286,287,300,333,334,337,339,341,345,346,352,366,367,375,391,392,393,394,421,449,452,541,583,593,594,614,644,646,647,657,680,684,689,698,709,710 +0415_00105 10,11,12,15,16,17,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,376,377,378,385,391,394,417,419,431,435,438,442,447,450,451,454,465,471,488,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00106 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0415_00107 10,11,15,16,19,20,179,180,256,284,285,286,287,300,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,394,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,644,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0415_00108 10,11,12,15,16,19,284,285,286,287,333,334,345,346,352,353,366,375,391,392,417,419,431,442,443,447,454,539,541,556,574,594,600,614 +0415_00109 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0415_00110 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00111 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00112 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,593,614,637,655,657 +0415_00113 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,366,367,371,372,382,383,385,394,406,407,417,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,639,641,642,644,652,656,661,663,664,665,667,669,678,679,680,681,690 +0415_00114 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00115 10,11,19,20,31,284,285,293,309,315,333,345,349,375,412,426,457 +0415_00116 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00117 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,591,593,594,595,596,597,600,602,604,605,607,609,614,618,619,620,622,627,629,631,632,635,637,638,640,641,642,652,654,655,656,658,661,663,664,665,666,667,668,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0415_00118 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0415_00119 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,750,813 +0415_00121 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0415_00122 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00123 10,11,12,15,179,181,182,284,285,286,300,333,334,337,341,345,352,375,391,393,394,583,593,614,644,657,680,684,689,698,709,710 +0415_00124 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00125 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,541,580,583,593,614,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0415_00126 10,11,12,15,16,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,346,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,491,494,499,501,508,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00127 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,729,792 +0415_00128 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0415_00129 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0415_00130 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,345,352,353,356,357,371,372,385,394,396,417,421,431,435,440,442,444,447,452,465,471,491,494,515,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0415_00131 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0415_00132 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0415_00133 10,11,12,15,16,19,179,180,256,284,285,286,287,300,301,333,334,339,341,345,346,352,353,356,357,366,371,372,375,385,391,393,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,511,516,517,521,523,525,529,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,714,777 +0415_00134 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0415_00135 10,11,12,15,16,144,149,150,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,376,385,391,392,417,431,435,442,446,447,450,465,471,491,503,517,521,525,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,678,679,680,684,689,709,710,711 +0415_00136 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00137 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0415_00138 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,517,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,641,642,652,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,700,709,710,711,715,736,762,778,799,825 +0415_00139 10,19,20,21,31,284,287,315,367,375,408,412,426,457 +0415_00140 10,11,12,13,15,16,17,18,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,629,634,635,637,638,641,644,646,647,655,657,658,660,661,665,666,669,672,673,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0415_00141 10,11,12,15,16,34,144,146,147,149,150,151,179,180,256,284,285,286,294,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,376,385,391,392,413,417,419,431,435,442,447,451,454,465,471,476,488,490,491,508,517,520,521,525,541,550,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00142 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,591,593,594,595,596,597,600,602,604,605,607,609,614,618,619,620,622,627,629,631,632,635,637,638,640,641,642,652,654,655,656,658,661,663,664,665,666,667,668,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0415_00143 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0415_00144 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,358,359,360,371,372,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,409,415,417,419,431,432,435,438,439,442,443,447,450,451,454,458,459,460,465,466,471,473,482,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,726,747,771,789,810,834 +0415_00145 10,11,19,20,31,179,180,256,284,285,293,309,315,333,334,345,349,356,357,371,372,385,412,417,426,431,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00146 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,334,337,341,345,352,353,366,375,376,391,392,393,394,421,440,444,452,536,537,541,561,570,603,612,614,637,646,647,648,651,655 +0415_00147 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,672,673,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0415_00148 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,689,690,691,697,699,701,702,709,710,711,715,778 +0415_00149 10,11,15,19,20,34,179,180,284,285,286,300,306,309,333,339,341,345,346,352,366,394,409,459,460,529,583,593,644,680,684 +0415_00150 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00151 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,750,759,813,822 +0415_00152 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00153 10,11,12,15,16,17,19,116,117,144,146,147,148,151,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,491,492,496,500,505,507,517,520,522,524,525,529,531,539,541,546,548,550,556,557,561,570,572,573,583,586,593,594,597,600,602,612,614,618,622,629,637,638,641,642,644,655,657,658,661,675,679,681,683,709,710 +0415_00154 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00155 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0415_00156 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0415_00157 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0415_00158 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0415_00159 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0415_00160 10,11,19,31,284,285,293,315,345,349,375,411,426 +0415_00161 10,11,12,15,16,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,300,333,334,341,345,346,352,356,357,358,359,360,366,371,372,373,374,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,436,438,439,442,443,446,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,709,710,771,834 +0415_00162 10,11,12,15,16,34,144,146,147,179,180,256,257,258,284,285,286,294,300,333,339,341,345,346,352,354,356,358,359,366,371,372,375,377,378,384,385,387,388,391,394,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,529,531,532,533,534,539,540,546,547,550,553,556,557,565,570,571,577,579,583,585,586,587,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00163 10,11,12,15,179,180,181,182,186,256,257,258,284,285,286,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,386,387,388,391,397,404,417,419,431,432,435,438,442,443,447,450,454,465,471,473,483,491,496,503,507,517,521,524,525,531,539,540,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,735,759,780,798,822 +0415_00164 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0415_00165 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0415_00166 10,11,12,15,16,17,19,20,116,117,144,146,147,148,151,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,358,359,360,366,374,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,398,404,407,417,419,421,432,435,438,439,441,442,443,444,447,448,450,451,453,454,465,473,483,485,486,488,491,492,496,500,505,507,517,520,522,524,525,529,531,536,539,541,546,548,550,556,557,561,570,573,580,583,586,593,594,597,600,602,612,614,618,622,629,637,638,641,642,644,655,657,658,661,675,679,681,683,685,686,709,710 +0415_00167 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0415_00168 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00169 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0415_00170 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,594,596,598,600,601,602,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,750,801,813 +0415_00171 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00172 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,301,302,309,333,341,345,352,356,358,359,371,372,377,378,385,387,388,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00173 10,11,12,15,16,19,20,144,149,150,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,536,537,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,594,596,598,600,601,603,604,608,609,612,614,619,624,629,634,635,641,644,646,647,651,657,661,665,666,669,672,673,678,679,680,684,685,686,689,693,695,696,697,705,709,710,711,713,738,756,759,801,819,822 +0415_00174 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00175 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,614,619,622,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,750,771,813,834 +0415_00176 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,309,333,341,342,345,352,353,356,358,359,371,372,377,378,382,383,385,387,388,399,407,417,419,423,432,435,438,442,443,447,450,462,465,471,478,486,491,498,499,500,503,516,517,521,523,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,639,641,642,652,653,656,661,665,666,668,669,678,679,680,681,684,690,692,704,743,764,771,806,827,834 +0415_00177 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00178 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,529,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00179 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0415_00180 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00181 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00182 10,11,12,15,16,17,19,20,34,144,146,147,151,153,154,179,181,182,256,257,258,259,260,261,284,285,286,294,300,302,333,341,352,354,356,358,359,360,366,374,375,376,377,378,379,380,384,385,387,388,389,390,391,392,393,394,396,397,398,400,401,402,404,413,417,419,424,432,438,439,442,443,448,450,451,454,455,456,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,515,520,522,524,528,529,531,532,534,539,541,546,548,550,556,559,561,570,573,586,587,594,597,602,612,614,622,629,630,637,649,655,658,659,675 +0415_00183 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,554,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,668,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825,827 +0415_00184 10,11,12,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,371,372,376,377,378,380,382,385,386,387,388,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,440,442,443,444,447,450,451,452,454,465,471,473,483,485,488,489,491,494,496,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,550,553,554,556,557,561,565,571,573,577,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,637,641,644,646,648,651,655,658,661,665,666,669,672,673,674,675,678,679,680,684,685,689,693,705,709,710,711,759,822 +0415_00185 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00186 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0415_00187 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711,714,777 +0415_00188 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00189 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,352,353,356,357,359,367,371,372,375,376,377,379,380,382,383,385,388,390,391,393,394,397,400,401,404,406,417,419,421,431,435,439,440,442,443,444,447,450,451,452,454,465,471,473,477,483,485,488,489,491,494,496,499,505,507,520,521,524,525,528,531,536,539,542,543,545,546,549,550,553,554,556,557,561,565,566,568,571,573,574,575,576,579,580,581,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,625,627,629,631,635,637,638,640,641,642,648,652,654,655,656,658,661,663,665,666,667,669,674,675,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,715,736,741,762,778,799,804,825 +0415_00190 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0415_00191 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0415_00192 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0415_00193 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0415_00194 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00195 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0415_00196 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00197 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,644,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00198 10,11,12,15,16,17,19,20,21,116,118,119,144,146,147,149,150,151,179,183,284,285,286,287,300,333,334,336,339,341,342,345,346,347,352,353,366,367,375,381,391,392,393,394,406,417,421,431,433,438,442,444,450,452,453,491,525,529,536,537,541,554,557,560,567,570,580,583,593,594,603,612,613,614,616,638,639,640,641,642,644,657,660,661,672,674,679,680,681,683,684,685,686,687,689,690,692,693,696,697,704,705,708,709,710,711 +0415_00199 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,703,704,705,708,709,710,711,717,780 +0415_00200 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,377,378,382,383,384,385,391,392,393,394,407,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,570,571,574,575,579,580,582,583,585,587,591,593,596,598,601,604,607,608,609,612,614,618,619,620,624,626,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0415_00201 10,11,12,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,537,542,543,549,553,557,565,566,567,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,615,618,619,620,621,627,633,635,638,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,685,689,690,693,697,699,705,709,710,711,715,720,778,783 +0415_00202 10,11,12,15,16,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,294,300,333,334,336,341,345,346,352,354,356,358,359,366,371,372,377,378,384,385,387,388,391,393,394,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,768,831 +0415_00203 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,367,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,449,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00204 10,11,12,15,19,179,180,214,216,217,256,284,285,286,287,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,736,799 +0415_00205 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0415_00206 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0415_00207 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,618,620,638,639,641,644,646,647,657,660,661,667,668,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0415_00208 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00209 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,309,333,340,341,342,345,346,347,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,392,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,490,492,496,500,501,505,507,508,520,522,524,531,532,534,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,630,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0415_00210 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0415_00211 10,11,12,15,19,20,179,181,182,284,285,286,287,302,309,333,334,337,340,341,342,345,347,352,353,367,375,391,396,407,515,572,583,593,614,618,638,639,657,680,684,689,698,709,710 +0415_00212 10,11,12,15,19,20,144,146,147,284,285,286,287,309,333,339,341,345,346,352,353,366,375,381,391,392,407,421,440,441,444,452,453,536,537,541,567,580,593,603,614,618,638,646,647,657,660,686 +0415_00213 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,583,593,614,637,655,680,684 +0415_00214 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,309,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,381,382,383,385,387,388,390,391,393,394,397,400,401,404,406,407,413,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,474,476,477,479,483,485,486,488,489,490,491,492,494,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,536,539,540,541,542,543,546,547,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,576,577,578,579,580,581,582,583,585,586,587,590,593,595,596,597,598,600,601,604,605,607,608,609,612,614,618,619,620,624,625,626,627,629,634,635,637,638,639,640,641,642,643,644,652,653,655,656,657,658,661,665,666,667,668,669,672,673,674,675,678,679,680,681,683,684,685,690,692,693,696,703,704,708,709,710,711,722,743,771,785,806,834 +0415_00215 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0415_00216 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00217 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00218 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,667,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00219 10,11,12,15,179,180,181,182,186,187,193,256,257,258,260,284,285,286,333,334,341,345,352,356,357,358,359,371,372,377,378,385,386,387,388,391,397,404,417,419,431,432,435,438,442,443,447,450,454,465,471,473,483,491,496,503,507,517,521,524,525,531,539,540,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0415_00220 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,301,302,333,341,345,346,352,356,358,359,366,367,371,372,373,374,375,377,378,381,385,387,388,391,394,395,396,397,399,404,406,417,419,421,432,435,436,438,442,443,446,447,448,450,452,453,454,465,468,471,473,483,486,491,492,496,500,503,507,515,517,519,521,522,524,525,531,539,540,541,546,547,548,550,553,556,557,560,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,645,657,658,661,665,666,669,678,679,680,684,771,834 +0415_00221 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,309,333,334,339,341,345,346,347,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,549,550,553,556,557,561,565,571,572,574,575,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,618,619,620,622,629,634,635,638,641,642,644,646,647,655,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,699,709,710,711,738,801 +0415_00222 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,385,391,392,393,394,407,417,421,431,433,435,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,594,596,600,603,604,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,696,697,699,700,705,709,710,711 +0415_00223 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,421,431,433,435,436,439,442,443,444,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,494,496,499,505,507,520,521,522,524,525,531,536,539,541,542,543,545,546,549,550,553,554,556,557,561,565,566,568,571,573,574,575,576,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,602,604,605,607,609,614,619,620,622,624,625,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,672,673,674,675,678,679,680,681,684,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00224 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,341,345,352,356,358,359,371,372,377,378,385,387,388,399,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00225 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,345,347,352,353,356,367,371,372,377,378,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,538,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,660,661,665,666,669,678,679,680,684 +0415_00226 10,11,12,15,16,17,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,301,309,333,334,339,340,341,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,423,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,616,618,622,625,629,637,638,639,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0415_00227 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,771,834 +0415_00228 10,11,12,13,15,16,17,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,347,352,353,356,357,367,371,372,376,382,383,385,394,406,417,419,431,435,439,442,443,447,451,465,471,477,489,491,499,517,521,525,539,542,543,549,550,553,556,557,565,566,571,574,575,577,579,583,585,590,593,595,596,600,604,605,607,608,609,615,619,620,621,627,633,634,635,638,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,692,709,710,711,715,778 +0415_00229 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0415_00230 10,11,12,15,16,17,19,31,144,146,147,179,180,256,257,258,284,285,286,301,302,305,315,333,341,345,352,356,358,359,366,371,372,375,377,378,385,387,388,391,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,541,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00231 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0415_00232 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0415_00233 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00234 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,714,771,777,834 +0415_00235 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,392,406,417,421,431,435,442,447,452,453,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,646,647,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,736,799 +0415_00236 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00237 10,11,12,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,489,491,495,496,500,505,507,516,517,518,520,521,524,525,528,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,636,641,644,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00238 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00239 10,11,12,13,15,16,17,19,179,180,181,182,186,187,188,189,193,195,196,200,207,256,257,258,259,260,262,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,397,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,561,565,570,571,573,577,578,579,580,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,614,619,622,624,629,634,635,637,641,644,646,655,657,658,661,665,666,669,672,673,675,678,679,680,684,685,689,693,705,709,710,711,714,717,750,759,777,780,813,822 +0415_00240 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,451,454,465,471,473,474,476,477,479,483,485,486,488,489,490,491,492,494,496,499,500,503,505,507,508,517,520,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,578,579,580,581,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,624,625,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,672,673,674,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0415_00241 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0415_00242 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00243 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,360,371,372,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,407,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,561,565,570,571,573,574,575,577,579,583,585,586,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,639,641,642,644,652,655,656,657,658,661,665,666,668,669,675,678,679,680,681,684,689,690,699,709,710,711,757,771,820,834 +0415_00244 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,301,302,333,342,345,346,352,353,356,366,371,372,376,377,382,385,391,393,394,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,518,519,521,525,536,537,539,541,542,543,546,547,549,550,553,554,556,557,559,561,565,566,570,571,574,575,577,579,580,583,585,590,593,595,596,598,600,601,603,604,605,607,608,609,612,613,615,620,621,624,627,633,634,635,636,637,638,641,642,644,645,646,647,648,651,652,655,656,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0415_00245 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,360,367,371,372,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,477,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,579,583,585,586,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,655,656,657,658,661,665,666,667,669,675,678,679,680,681,684,689,690,699,709,710,711,757,771,820,834 +0415_00246 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,371,372,377,382,384,385,386,388,394,400,417,419,421,422,431,435,440,442,443,444,447,450,452,465,471,472,484,491,494,514,517,521,524,525,528,531,532,533,536,539,546,550,553,554,556,557,565,571,577,579,580,583,585,593,596,598,600,601,604,608,609,619,624,630,634,635,641,661,665,666,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0415_00247 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00248 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0415_00249 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00250 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00251 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,302,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,396,406,407,417,431,435,442,447,471,477,491,499,515,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00252 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0415_00253 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,583,586,593,594,597,602,603,612,614,618,622,625,629,637,638,646,647,648,651,655,657,658,674,675,680,681,684,692,703 +0415_00254 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00255 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0415_00256 10,11,12,13,15,16,19,20,21,179,181,182,186,188,189,284,285,286,287,333,334,337,340,341,342,345,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,580,583,593,614,615,638,639,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00257 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00258 10,11,15,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,309,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,397,404,409,413,415,417,419,422,432,435,438,442,443,447,450,454,458,459,460,465,469,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00259 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0415_00260 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,366,371,372,375,376,377,378,380,385,387,388,390,391,392,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,717,771,780,834 +0415_00261 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0415_00262 10,11,12,13,15,16,19,20,21,179,181,182,186,188,189,284,285,286,287,300,333,334,337,340,341,342,345,347,352,353,367,375,381,391,393,394,406,421,441,444,453,536,580,583,593,614,615,638,639,644,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00263 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,421,432,435,438,442,443,447,450,451,452,453,454,458,465,466,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0415_00264 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,536,538,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,660,661,665,666,669,678,679,680,684 +0415_00265 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00266 10,11,12,13,15,19,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,641,642,644,656,657,661,665,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713 +0415_00267 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0415_00268 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,367,371,372,375,376,377,378,380,381,382,383,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,477,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,560,561,565,566,570,571,573,574,575,577,579,583,585,586,590,593,595,596,597,600,601,604,605,607,608,609,612,614,615,619,620,621,627,629,633,634,635,637,638,639,641,642,644,648,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,722,743,771,785,806,834 +0415_00269 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00270 10,11,12,15,19,179,180,256,284,285,286,287,300,333,341,345,352,353,356,371,372,375,377,378,385,391,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684 +0415_00271 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00272 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,340,341,342,345,347,352,353,356,366,367,371,372,375,377,378,385,391,392,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,536,538,541,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684 +0415_00273 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00274 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,309,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0415_00275 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,342,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,433,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,580,581,583,586,593,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675,680,684,685,696 +0415_00276 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00277 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,301,309,333,341,342,345,352,353,356,358,359,366,371,372,375,377,378,382,383,385,388,391,397,407,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,462,463,465,468,471,478,483,491,494,496,497,498,499,503,516,517,519,521,522,524,525,531,536,538,539,540,541,542,544,546,547,550,553,554,556,557,565,567,571,578,579,580,581,583,585,586,588,591,593,594,596,600,601,602,604,608,609,614,617,618,619,622,624,625,629,634,635,641,645,646,657,658,660,661,665,666,669,672,674,678,679,680,684 +0415_00278 10,11,12,13,15,16,17,18,19,20,21,22,34,35,130,132,133,144,146,147,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,301,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,376,380,381,382,383,385,390,391,392,393,394,397,407,413,417,419,421,423,431,435,438,440,441,442,444,447,450,451,452,453,454,465,471,476,487,488,490,491,497,499,505,508,517,518,520,521,522,525,529,536,537,541,542,543,549,550,553,554,557,561,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,647,648,651,652,655,656,657,659,660,661,665,668,669,672,678,679,680,681,684,685,689,690,692,693,697,703,704,705,709,710,711,715,778 +0415_00279 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,806,820,822 +0415_00280 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,668,669,678,679,680,681,682,690,720,783 +0415_00281 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,549,550,553,554,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,656,657,661,665,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,698,699,703,705,709,710,711,735,798 +0415_00282 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0415_00283 10,11,12,15,19,20,21,34,35,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,384,385,391,392,406,409,413,415,417,421,422,431,438,440,442,444,447,450,452,458,459,460,465,466,471,472,481,491,496,501,508,521,525,532,534,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0415_00284 10,11,12,13,15,16,19,20,21,116,118,119,144,146,147,149,150,151,179,183,284,285,286,287,300,333,334,336,339,341,342,345,346,347,352,353,366,367,375,381,391,392,393,394,406,417,421,431,433,438,442,444,450,452,453,463,477,491,499,525,529,536,537,538,541,554,557,560,567,570,580,583,593,594,603,606,612,613,614,616,638,639,640,641,642,644,657,660,661,672,674,679,680,681,683,684,685,686,687,689,690,691,692,693,696,697,699,701,702,703,704,705,708,709,710,711 +0415_00285 10,11,12,13,15,19,20,21,22,179,180,182,183,186,187,190,193,200,207,256,258,284,285,286,287,300,309,333,334,338,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,529,536,538,542,543,549,553,554,557,564,565,566,567,568,571,572,574,575,576,579,580,582,583,585,590,591,593,595,596,598,600,604,605,607,609,611,615,618,619,620,624,626,627,635,638,639,640,641,642,643,644,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,778,783,798,799,804,819,820 +0415_00286 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00287 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0415_00288 10,11,12,13,14,15,16,19,20,21,22,34,35,179,180,183,186,187,193,194,200,201,207,256,258,260,262,284,285,286,294,309,333,334,341,345,346,352,354,356,357,366,371,372,375,377,378,384,385,391,392,409,415,417,419,431,432,435,438,442,443,447,450,454,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,540,541,546,547,550,553,556,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,737,758,780,800,821 +0415_00289 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,383,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,462,465,466,471,473,477,483,484,485,488,491,492,496,498,499,503,505,507,517,520,521,522,524,525,531,532,533,539,541,542,544,545,546,547,549,550,553,556,557,561,565,566,567,568,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,616,619,622,627,629,631,634,635,637,639,641,644,653,655,658,660,661,663,665,666,667,669,675,678,679,680,684,726,789 +0415_00290 10,11,12,19,20,34,179,180,186,187,256,258,284,285,294,309,333,334,345,354,356,357,371,372,384,385,386,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,697,709,710,711,713,716,737,756,779,800,819 +0415_00291 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,714,777 +0415_00292 10,11,12,19,31,284,285,293,315,333,334,345,375,411,426 +0415_00293 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,309,333,345,347,349,353,356,367,371,372,385,407,411,417,435,442,447,471,491,517,521,525,553,557,565,571,572,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00294 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,567,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,616,619,620,621,627,629,633,634,635,638,641,642,652,656,657,660,661,665,667,669,678,679,680,681,684,689,690,709,710,711 +0415_00295 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00296 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00297 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680 +0415_00298 10,11,12,19,20,31,179,180,186,187,256,258,284,285,293,309,315,333,345,356,371,372,385,411,412,417,426,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00299 10,11,12,13,15,16,19,179,180,181,182,186,187,193,214,219,220,256,258,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,407,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,567,570,571,572,578,579,583,585,586,593,594,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00300 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,302,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,396,406,407,417,431,435,442,447,471,477,491,499,515,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00301 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0415_00302 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,309,333,334,337,341,342,345,352,353,356,357,371,372,376,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,499,517,521,525,536,537,542,543,549,550,553,557,561,565,570,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,646,648,651,652,655,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,715,778 +0415_00303 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,342,345,349,353,356,371,372,375,385,411,417,421,433,435,442,444,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00304 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00305 10,11,12,15,16,17,19,116,117,179,181,182,186,188,189,214,219,220,256,257,258,259,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,378,379,380,385,388,391,392,393,394,397,404,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,488,491,492,494,496,500,503,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,570,571,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,604,608,609,612,614,619,624,625,629,634,635,637,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,684,685,696,709,710,711 +0415_00306 10,11,12,19,20,21,144,147,151,154,179,182,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,564,568,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0415_00307 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00308 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,338,341,342,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,380,381,385,388,390,391,392,397,398,399,404,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,462,465,471,473,483,485,486,487,488,491,494,495,496,500,505,507,516,517,518,520,521,522,523,524,525,531,536,537,539,540,541,546,548,549,550,553,554,556,557,561,565,567,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,600,603,604,608,609,612,614,618,619,620,624,625,629,634,635,637,638,639,641,655,657,658,660,661,665,666,668,669,672,674,675,678,679,680,681,682,684,685,687,689,697,698,709,710,711,713,714,756,777,819 +0415_00309 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,392,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,536,541,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,604,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,656,657,661,665,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,695,696,698,699,703,705,709,710,711,735,798 +0415_00310 10,11,12,15,16,19,20,21,34,35,144,147,179,181,182,184,185,186,256,257,258,259,284,285,286,287,294,300,306,309,333,341,342,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,472,473,481,483,484,485,488,491,492,496,499,501,503,507,508,514,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,587,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,659,661,665,666,668,669,672,675,678,679,681,684 +0415_00311 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,566,567,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,616,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,669,678,679,680,681,684,690,764,827 +0415_00312 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00313 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0415_00314 10,11,12,15,19,20,144,146,147,179,180,284,285,286,287,300,333,334,335,345,352,353,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,680,684,685,686,688,689,693,697,698,705,709,710,711,712 +0415_00315 10,11,19,20,21,31,284,285,287,315,345,347,353,367,375,408,412,426,457 +0415_00316 10,11,12,15,19,31,179,180,186,187,256,258,284,285,293,300,305,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00317 10,11,12,13,15,19,20,144,146,147,151,153,154,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,618,619,620,635,638,639,641,642,656,657,661,663,664,665,668,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0415_00318 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,391,393,394,396,415,417,419,421,424,433,435,438,439,440,442,443,444,447,450,451,452,455,458,460,465,466,471,484,491,494,496,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,586,593,596,600,601,604,608,609,614,619,625,629,634,635,639,641,644,646,653,657,658,661,665,666,669,674,678,679,680,684,726,789 +0415_00319 10,11,12,13,15,16,19,144,149,150,179,180,256,284,285,286,287,300,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,376,382,383,385,391,393,394,407,417,419,431,435,439,442,443,447,451,454,471,488,491,499,520,521,525,529,539,540,541,542,549,553,557,565,570,571,574,575,579,583,585,591,593,596,597,600,604,607,608,609,612,614,618,619,620,635,638,641,642,644,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,714,715,735,736,756,757,777,778,798,799,819,820 +0415_00320 10,11,12,13,15,19,20,144,148,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,465,471,477,491,494,499,517,521,525,536,541,542,543,545,549,550,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,631,634,635,638,641,642,652,656,657,661,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,736,756,762,778,799,819,825,840,861 +0415_00321 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,379,380,382,383,385,386,387,388,390,391,393,394,397,404,406,417,418,419,428,429,431,432,435,438,439,442,443,447,448,450,451,454,461,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,543,545,546,547,549,550,553,556,557,561,565,566,568,571,573,574,575,577,578,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,614,615,619,620,621,622,627,629,631,633,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,663,665,666,667,669,675,678,679,680,681,683,684,689,690,692,700,703,704,709,710,711,715,722,736,738,743,759,762,778,785,799,801,806,822,825 +0415_00322 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0415_00323 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,335,345,346,352,353,356,357,366,371,372,375,381,385,386,391,392,407,417,418,421,428,431,435,441,442,444,447,453,461,465,471,491,517,521,525,536,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,618,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,735,756,798,819 +0415_00324 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00325 10,11,12,19,20,21,34,179,180,186,187,256,258,284,285,287,294,309,333,334,342,345,353,354,356,357,367,371,372,375,382,383,384,385,406,407,409,415,417,421,431,433,435,442,444,447,458,459,460,466,471,477,482,491,494,499,517,521,525,532,533,535,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,721,737,741,757,763,778,784,800,804,820,826 +0415_00326 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,376,377,378,382,383,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,646,652,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0415_00327 10,11,12,13,15,19,20,21,22,179,180,182,183,186,187,190,193,200,207,256,258,284,285,286,287,300,309,333,334,338,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,529,536,538,542,543,549,553,554,557,564,565,566,567,568,571,572,574,575,576,579,580,582,583,585,590,591,593,595,596,598,600,604,605,607,609,611,615,618,619,620,624,626,627,635,638,639,640,641,642,643,644,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,778,783,798,799,804,819,820 +0415_00328 10,11,12,19,20,21,179,180,284,285,287,309,333,334,335,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,712 +0415_00329 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,356,367,371,372,375,385,406,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00330 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,583,593,614,637,655,680,684,689,697 +0415_00331 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,309,333,334,341,345,347,352,353,356,357,358,359,367,371,372,377,382,385,388,391,397,404,406,407,410,417,419,421,431,432,435,437,438,440,442,443,444,447,449,450,452,454,462,465,471,473,477,483,491,493,494,495,496,498,499,503,507,517,521,525,531,536,537,539,540,542,544,547,549,550,553,554,556,557,565,566,567,571,572,574,575,576,577,579,580,582,583,585,590,593,595,596,598,600,603,604,605,608,609,613,614,615,616,618,619,620,621,624,627,629,633,634,635,638,640,641,642,643,646,656,657,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711 +0415_00332 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0415_00333 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00334 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,419,431,435,438,442,443,447,450,454,465,471,491,517,521,525,540,541,546,550,553,557,565,567,571,579,583,585,593,596,600,601,604,608,609,614,619,629,634,635,641,657,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00335 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0415_00336 10,11,12,15,16,19,20,116,119,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,406,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00337 10,11,12,15,19,144,146,147,179,180,284,285,286,287,300,333,334,335,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,680,684,685,686,689,693,697,698,705,709,710,711,712 +0415_00338 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0415_00339 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,627,631,635,638,640,641,642,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00340 10,11,12,13,15,16,17,18,19,20,21,179,181,182,186,188,189,193,195,196,200,202,203,256,257,258,259,284,285,286,287,309,333,341,345,346,347,352,353,356,358,359,366,367,376,377,378,379,380,385,387,388,390,391,392,397,404,407,417,419,432,438,439,442,443,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,520,521,524,525,531,539,541,546,548,550,553,556,557,561,565,567,570,571,572,573,583,586,593,594,597,601,602,608,612,614,622,629,634,637,655,657,658,660,666,675,684 +0415_00341 10,11,12,15,16,19,179,180,284,285,286,287,300,333,339,341,345,346,352,366,375,376,391,393,394,421,452,529,541,561,583,593,614,637,644,646,647,655,680,684 +0415_00342 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00343 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00344 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00345 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00346 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0415_00347 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,421,422,432,435,438,442,443,447,450,452,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,768,831 +0415_00348 10,11,12,13,31,116,117,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00349 10,11,12,13,15,16,19,20,21,144,145,146,147,151,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,615,616,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,704,705,708,709,710,711,864 +0415_00350 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00351 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0415_00352 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,376,377,378,382,383,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,646,652,653,655,656,657,658,661,665,666,668,669,675,678,679,680,681,684,689,690,692,703,704,709,710,711,715,743,759,778,806,822 +0415_00353 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,385,411,417,418,428,429,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00354 10,11,12,15,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,517,521,525,546,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0415_00355 10,11,12,13,19,20,31,179,180,182,186,187,193,194,200,256,258,260,284,285,287,293,333,345,347,348,349,353,356,367,368,371,372,381,385,406,411,417,435,442,447,471,491,517,521,525,553,557,564,565,571,579,583,585,596,600,604,609,611,615,619,635,640,641,661,662,665,669,678,679,680 +0415_00356 10,11,12,13,15,16,34,179,180,184,185,186,187,193,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,570,571,578,579,583,585,586,587,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00357 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00358 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0415_00359 10,11,12,19,20,21,31,284,285,287,309,315,333,345,347,353,367,375,408,412,426,457,638 +0415_00360 10,11,12,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,345,352,353,356,357,359,360,371,372,376,380,381,385,390,399,407,417,419,421,423,431,435,439,441,442,443,444,447,451,453,465,471,487,491,494,516,517,518,521,523,525,531,536,539,549,550,553,554,556,557,565,571,574,575,577,579,580,583,585,593,596,598,600,604,608,609,618,619,620,624,634,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,714,756,777,819 +0415_00361 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00362 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0415_00363 10,11,12,19,20,21,31,179,180,186,187,256,258,284,285,287,309,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00364 10,11,12,13,15,19,20,21,144,150,179,180,185,186,187,193,194,200,256,258,260,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,406,407,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,593,595,596,598,600,601,604,605,607,608,609,615,618,619,620,621,624,627,633,634,635,638,640,641,642,644,652,654,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,687,689,690,691,692,693,697,698,699,700,701,702,704,705,709,710,711,713,715,717,738,741,756,757,778,780,801,804,819,820 +0415_00365 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0415_00366 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,580,581,583,585,590,593,594,595,596,600,604,605,607,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,644,646,647,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,687,689,690,693,696,697,698,699,700,705,708,709,710,711,713,715,736,762,778,799,825 +0415_00367 10,11,12,15,19,20,21,34,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,381,384,385,391,392,406,407,413,417,421,422,431,438,440,441,442,444,447,450,452,453,463,465,471,472,481,491,496,501,508,521,525,532,534,537,538,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,603,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0415_00368 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00369 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,335,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00370 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0415_00371 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,342,345,352,353,356,358,359,371,372,377,378,382,383,385,387,388,391,393,394,397,400,401,404,406,410,417,419,421,422,432,433,435,438,442,443,444,447,450,452,454,462,465,471,473,477,483,491,493,494,495,496,498,499,503,507,509,512,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,560,565,566,567,571,574,575,577,579,580,583,585,586,590,593,595,596,598,600,601,603,604,605,607,608,609,613,614,616,619,620,624,627,629,634,635,638,641,642,644,646,652,656,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,690,693,764,827 +0415_00372 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,685 +0415_00373 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00374 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00375 10,11,12,13,15,31,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,293,333,341,345,346,349,352,356,358,359,366,371,372,373,374,377,385,388,391,397,404,411,417,419,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684 +0415_00376 10,11,12,13,15,19,20,21,179,181,182,284,285,286,287,333,334,337,340,341,342,345,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,580,583,593,614,615,638,639,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00377 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,529,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0415_00378 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00379 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00380 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0415_00381 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00382 10,11,12,13,15,19,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,334,340,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,386,391,393,394,406,413,417,422,431,435,442,447,471,472,477,481,491,499,501,508,514,517,521,525,529,532,533,541,542,543,549,553,557,565,566,571,574,575,579,583,585,587,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,659,661,665,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00383 10,11,12,13,15,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,293,300,333,334,341,345,349,352,356,357,371,372,377,378,385,394,411,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00384 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00385 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,345,352,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684 +0415_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00387 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0415_00388 10,11,12,15,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,438,442,443,444,447,450,454,465,471,473,483,491,494,496,503,507,517,521,524,525,528,531,536,539,540,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,697,698,705,709,710,711,759,822 +0415_00389 10,11,12,13,15,19,20,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,293,302,309,333,334,341,345,349,352,356,357,371,372,377,378,385,396,402,411,417,431,435,438,442,447,450,465,471,491,503,515,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00390 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0415_00391 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0415_00392 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,350,352,354,356,358,359,367,369,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0415_00393 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,798 +0415_00394 10,11,12,13,14,15,16,19,20,21,22,144,146,147,179,180,181,182,184,185,186,187,193,194,200,207,256,257,258,260,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,528,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,565,566,568,570,571,574,575,576,577,578,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,614,615,619,620,624,627,629,631,634,635,638,639,640,641,642,643,644,652,653,654,656,657,658,661,663,665,666,667,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,713,715,736,741,743,759,762,778,798,799,804,806,819,820,822,825 +0415_00395 10,11,12,13,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,293,333,345,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00396 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0415_00397 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00398 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861 +0415_00399 10,11,12,19,20,31,179,180,186,187,256,258,284,285,287,293,315,333,345,356,367,371,372,375,385,406,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00400 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,431,432,433,435,438,442,443,444,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,560,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,648,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0415_00401 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,609,614,618,619,620,635,638,641,642,656,657,661,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,777 +0415_00402 10,11,12,13,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,293,333,334,345,349,356,357,371,372,385,411,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00403 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0415_00404 10,11,12,13,19,20,31,144,147,284,285,287,293,333,345,347,348,349,353,367,368,375,381,406,411,564,568,611,615,662,663 +0415_00405 10,11,15,34,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,352,354,356,358,359,366,369,371,372,374,377,378,384,385,387,388,391,397,404,413,417,419,422,432,435,438,442,443,447,448,450,454,465,471,472,473,474,475,476,481,483,490,491,492,496,501,503,507,508,509,514,517,521,522,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00406 10,11,12,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,496,503,507,517,521,524,525,528,531,536,539,540,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,694,695,697,698,699,705,707,709,710,711,735,759,798,822 +0415_00407 10,11,12,19,31,179,180,186,187,256,258,284,285,293,315,333,345,349,356,371,372,375,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00408 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,415,419,451,454,458,469,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00409 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0415_00410 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,334,338,342,345,349,353,356,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00411 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0415_00412 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,638,641,661,665,669,678,679,680 +0415_00413 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00414 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00415 10,11,12,13,14,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,200,201,256,257,258,259,260,262,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,488,491,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,714,717,735,738,756,759,771,777,780,798,801,819,822,834 +0415_00416 10,11,12,15,19,179,180,256,284,285,286,287,333,334,341,345,347,352,353,356,357,366,367,371,372,375,377,378,385,391,392,417,421,431,435,437,438,442,444,447,449,450,465,471,491,494,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,658,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0415_00417 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00418 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00419 10,11,12,15,19,179,180,186,187,256,258,284,285,286,302,309,333,334,345,346,352,356,357,366,371,372,385,391,396,417,431,435,442,447,465,471,491,515,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00420 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,366,375,381,391,393,394,406,407,421,441,444,452,453,529,536,537,541,560,567,580,603,613,614,618,638,644,646,647,660,709 +0415_00421 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00422 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0415_00423 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,334,345,349,356,371,372,375,385,411,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00424 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00425 10,11,12,19,20,179,180,256,284,285,287,333,342,345,353,356,367,371,372,375,382,383,385,406,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,595,596,600,604,605,607,609,619,620,627,631,635,638,640,641,642,652,654,656,661,663,665,667,669,678,679,680,681,690,691,701,702,741,762,804,825 +0415_00426 10,11,12,19,20,21,31,179,180,186,187,256,258,284,285,287,309,315,333,334,345,347,353,356,357,367,371,372,385,408,412,417,426,431,435,442,447,457,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,596,600,604,609,619,620,635,638,641,642,656,661,665,669,678,679,680,681,689,690,699,709,710,711 +0415_00427 10,11,12,15,16,34,144,146,147,179,180,186,187,256,257,258,284,285,286,294,300,333,339,341,345,346,352,354,356,358,359,366,371,372,376,377,378,380,384,385,387,388,391,393,394,397,404,413,417,419,422,432,435,438,442,443,447,450,451,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,768,831 +0415_00428 10,11,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,658,661,665,666,669,678,679,680,684,768,831 +0415_00429 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00430 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0415_00431 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,336,339,341,345,346,352,356,366,371,372,375,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,709,710,729,792 +0415_00432 10,11,12,13,19,20,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,345,347,349,353,356,357,367,371,372,381,385,406,411,417,421,431,435,441,442,444,447,453,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0415_00433 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0415_00434 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,294,300,301,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,376,377,378,379,380,381,382,383,384,385,388,391,394,397,404,407,415,417,419,421,423,431,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,458,460,465,466,471,473,483,484,485,488,491,492,494,496,499,503,507,517,521,522,524,525,531,532,533,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,571,574,575,576,577,578,579,580,582,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,640,641,642,643,644,652,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,726,738,757,785,789,801,820 +0415_00435 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,759,822 +0415_00436 10,11,12,13,15,16,179,180,183,186,187,193,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,780 +0415_00437 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,353,356,367,371,372,375,385,406,411,417,435,442,447,471,477,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00438 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,334,336,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,709 +0415_00439 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0415_00440 10,11,12,15,16,19,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,333,341,345,346,347,352,353,354,356,358,359,366,367,371,372,376,377,378,380,384,385,387,388,391,392,397,404,406,413,417,419,422,432,435,438,442,443,447,450,451,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,567,571,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,615,616,619,629,634,635,637,641,655,657,658,660,661,665,666,669,675,678,679,680,684,768,831 +0415_00441 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,341,342,345,346,352,353,356,357,366,371,372,375,377,378,382,383,385,391,392,396,402,407,417,420,421,424,430,431,435,438,440,442,444,447,450,452,455,456,465,467,471,491,499,503,515,521,525,536,541,542,543,544,545,546,547,549,550,553,554,557,559,565,567,568,569,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,614,618,619,620,632,634,635,638,639,641,642,646,647,650,652,653,656,657,661,664,665,666,668,669,672,673,678,679,680,681,684,689,690,692,700,704,709,710,711,715,736,738,743,762,764,778,799,801,806,825,827 +0415_00442 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00443 10,11,12,13,19,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,342,345,347,349,353,356,357,367,371,372,375,382,383,385,406,411,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,709,710,711,715,778 +0415_00444 10,11,12,15,284,285,286,300,333,345,346,352,366,375,394,529,583,593,644,680,684,689,697 +0415_00445 10,11,12,13,15,16,34,35,179,180,181,182,184,185,186,187,193,200,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,369,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,630,634,635,641,657,658,659,661,665,666,669,678,679,680,684,689,725,747,768,788,810,831 +0415_00446 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,340,342,345,347,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,690,762,825 +0415_00447 10,11,12,15,19,20,144,146,147,149,150,151,179,180,256,257,258,284,285,286,287,309,333,334,336,341,342,345,346,352,353,356,357,358,359,366,371,372,377,381,385,388,391,392,397,398,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,693,696,697,698,699,705,708,709,710,711 +0415_00448 10,11,12,13,19,20,21,144,150,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,741,756,757,778,804,819,820 +0415_00449 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0415_00450 10,11,12,15,16,19,20,21,34,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,492,496,499,503,507,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,661,665,666,668,669,672,675,678,679,680,681,684,689,690,699,709,710,711,758,821 +0415_00451 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00452 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,334,336,341,345,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,709,710,711,713 +0415_00453 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,306,333,334,345,347,353,354,356,357,367,371,372,375,381,384,385,394,406,415,417,421,431,435,442,447,452,453,458,460,466,471,484,491,517,521,525,532,533,553,557,560,565,571,579,583,585,596,600,604,609,613,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0415_00454 10,11,12,19,20,21,34,284,285,287,309,333,345,347,353,367,375,409,459,460,583,638,680,681,689,690,697,699 +0415_00455 10,11,12,19,20,144,147,179,180,284,285,287,333,334,335,345,347,353,367,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,689,690,693,697,698,699,705,709,710,711,712 +0415_00456 10,11,12,13,31,284,285,293,333,345,349,375,411 +0415_00457 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,335,345,346,352,356,357,366,371,372,375,385,386,391,392,417,418,428,431,435,442,447,461,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,735,756,798,819 +0415_00458 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00459 10,11,12,13,19,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,345,347,349,353,356,357,367,371,372,385,406,411,417,431,435,442,447,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0415_00460 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0415_00461 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0415_00462 10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,184,185,186,187,193,200,256,257,258,260,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,537,539,540,541,542,543,545,546,547,549,550,553,556,557,564,565,566,568,570,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,611,612,614,619,620,627,629,631,634,635,638,641,642,644,646,647,652,656,657,658,661,662,663,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,715,736,759,762,778,799,822,825 +0415_00463 10,11,12,19,34,179,180,256,284,285,287,294,309,333,334,342,345,353,354,356,357,369,371,372,375,382,383,384,385,407,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0415_00464 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,615,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00465 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0415_00466 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0415_00467 10,11,12,13,15,19,20,144,145,179,180,183,186,190,193,256,284,285,286,287,309,333,334,335,336,338,342,345,352,353,356,357,371,372,375,382,383,385,407,417,420,430,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,569,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,677,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0415_00468 10,11,12,13,15,16,17,19,20,21,22,31,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,301,305,309,315,333,334,336,338,339,340,341,342,345,346,347,352,353,356,358,359,366,367,371,372,374,375,376,377,378,379,380,381,382,383,385,387,388,390,391,394,397,404,406,407,408,412,417,419,420,421,423,426,430,432,435,438,439,441,442,443,444,447,448,450,451,453,454,457,462,465,468,471,473,478,483,485,486,487,488,491,492,496,497,499,500,503,505,507,516,517,518,520,521,522,524,525,529,531,536,537,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,567,568,569,570,571,572,573,574,575,577,578,579,583,585,586,593,595,596,597,600,601,604,605,607,608,609,612,614,615,616,617,618,619,620,629,634,635,638,639,640,641,642,644,645,652,655,656,657,658,660,661,663,664,665,666,667,669,675,677,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711 +0415_00469 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,333,334,336,341,345,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0415_00470 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,762,777,778,798,799,819,825,861 +0415_00471 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,399,404,406,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,487,488,491,494,496,500,503,505,507,516,517,518,520,521,522,523,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,613,614,618,619,620,624,625,629,634,635,637,638,639,641,642,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,714,738,756,759,771,777,801,819,822,834 +0415_00472 10,11,12,13,15,16,17,19,20,21,22,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,369,371,372,375,376,377,380,381,382,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,484,485,488,491,494,496,499,503,505,507,517,520,521,524,525,529,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,593,594,595,596,597,598,600,602,604,605,608,609,614,619,620,622,624,627,629,634,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,684,685,689,690,693,699,700,705,709,710,711,714,737,758,777,800,821 +0415_00473 10,11,12,15,19,179,180,186,187,256,258,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,391,393,394,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0415_00474 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,641,642,656,657,661,665,667,669,672,673,678,679,680,681,684,685,686,689,690,693,697,698,699,705,709,710,711,712,713,714,777 +0415_00475 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00476 10,11,12,19,20,179,180,256,284,285,287,333,342,345,353,356,367,371,372,375,382,383,385,406,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,690,720,783 +0415_00477 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00478 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00479 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,341,345,347,352,353,356,357,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,553,557,565,567,571,572,579,583,585,593,596,600,604,609,618,619,635,638,640,641,644,661,665,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,714,777 +0415_00480 10,11,12,15,16,17,34,116,117,179,181,182,256,257,284,285,286,294,300,333,334,337,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655 +0415_00481 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00482 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0415_00483 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,376,385,391,393,394,417,421,431,435,442,447,452,465,471,491,517,521,525,529,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,644,646,647,655,661,665,669,678,679,680,684,689,709,710,711 +0415_00484 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0415_00485 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,582,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,615,618,619,620,621,624,626,627,629,633,634,635,638,640,641,642,643,644,646,647,652,656,657,658,661,665,666,667,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,703,705,706,709,710,711,714,736,757,759,777,799,820,822 +0415_00486 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00487 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0415_00488 10,11,12,15,19,179,181,182,284,285,286,302,309,333,334,337,341,345,352,375,391,396,515,583,593,614,657,680,684,689,698,709,710 +0415_00489 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0415_00490 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0415_00491 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0415_00492 10,11,12,13,15,19,179,181,182,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,391,392,406,541,567,583,593,614,615,616,657,660,680,684,689,697 +0415_00493 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00494 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,333,334,335,336,342,345,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00495 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,186,187,256,258,284,285,286,287,294,300,309,333,334,339,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,381,382,383,385,386,391,392,393,394,406,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,477,490,491,494,499,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,566,567,570,571,574,575,579,580,581,582,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,612,614,615,618,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,659,660,661,665,667,669,672,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,715,735,736,756,757,778,798,799,819,820 +0415_00496 10,11,12,15,19,20,21,179,180,256,284,285,286,287,302,309,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,396,402,406,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,494,499,503,515,517,521,525,536,542,543,544,546,547,549,550,553,554,557,559,565,567,571,574,575,579,580,583,585,588,591,593,595,596,598,600,601,604,605,607,608,609,615,618,619,620,624,634,635,638,641,642,650,652,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,738,764,778,801,827 +0415_00497 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,596,600,601,604,608,609,613,614,615,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00498 10,11,12,13,15,16,19,20,179,180,181,182,184,185,186,187,193,200,256,284,285,286,287,333,334,336,339,341,345,346,352,353,356,357,366,371,372,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,541,550,553,557,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0415_00499 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0415_00500 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0415_00501 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,334,345,349,356,357,371,372,385,411,417,426,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00502 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0415_00503 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457 +0415_00504 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0415_00505 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0415_00506 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,619,620,624,627,631,635,638,641,642,652,656,661,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,698,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0415_00507 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0415_00508 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0415_00509 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00510 10,11,12,19,20,21,179,180,256,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,582,583,585,589,590,595,596,600,604,605,607,609,619,620,627,635,638,640,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0415_00511 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00512 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0415_00513 10,11,12,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00514 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,342,345,353,356,371,372,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,668,669,678,679,680,681,682,690,720,783 +0415_00515 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,409,417,421,431,433,435,442,444,447,459,460,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00516 10,11,12,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,421,424,431,433,435,438,442,444,447,450,455,456,465,471,491,494,499,503,515,517,521,525,536,542,543,544,545,546,547,549,550,553,554,557,559,565,567,568,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,632,634,635,638,639,641,642,650,652,653,656,661,664,665,666,668,669,672,673,678,679,680,681,684,685,686,687,689,690,692,693,694,697,698,699,700,704,705,706,709,710,711,714,715,736,738,743,762,764,777,778,799,801,806,825,827 +0415_00517 10,11,12,19,31,284,285,293,315,333,345,349,375,411,426 +0415_00518 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00519 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00520 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00521 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,619,620,624,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,705,706,709,710,711,715,778 +0415_00522 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0415_00523 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,335,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,567,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,616,619,620,621,627,629,633,634,635,638,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00524 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00525 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +0415_00526 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00527 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,334,345,349,356,357,371,372,385,411,417,426,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00528 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00529 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,615,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00530 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00531 10,11,12,13,14,15,16,19,20,21,22,144,146,147,150,151,179,180,181,182,186,187,193,256,257,258,259,260,262,284,285,286,287,300,309,333,334,336,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,375,376,377,378,379,380,381,382,383,385,386,387,388,389,390,391,392,393,394,397,398,404,405,406,407,417,419,421,431,432,433,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,463,465,471,473,477,483,485,486,488,491,492,494,496,499,500,503,505,507,517,520,521,522,524,525,531,536,538,539,540,541,542,544,546,547,548,549,550,553,554,556,557,561,564,565,566,567,570,571,572,573,574,575,576,578,579,580,582,583,585,586,588,590,591,593,594,595,596,597,598,600,601,602,604,605,606,607,608,609,611,612,614,615,618,619,620,621,622,624,626,627,629,633,634,635,637,638,639,640,641,642,643,646,652,653,654,655,656,657,658,660,661,662,665,666,667,668,669,672,673,675,678,679,680,681,682,683,684,685,686,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,713,714,715,717,722,735,736,738,741,743,750,756,757,759,764,771,777,778,780,785,798,799,801,804,806,813,819,820,822,827,834 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10,11,12,15,19,34,144,146,147,256,257,284,285,286,287,294,306,333,345,346,350,352,353,354,356,359,366,369,371,372,375,377,382,384,385,388,391,397,417,419,421,422,435,440,442,443,444,447,450,452,454,465,472,484,494,496,503,514,517,522,524,531,532,533,536,539,540,541,546,547,550,554,556,577,583,586,593,614,629,630,646,647,657,658,673,680,684,689,697 +0415_00536 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,442,444,447,452,453,465,471,491,517,521,525,529,536,537,541,550,553,557,560,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,613,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,689,697,698,709,710,711,714,777 +0415_00537 10,11,12,13,15,19,179,180,256,284,285,286,287,333,342,345,346,347,352,353,356,366,367,371,372,375,382,383,385,391,392,406,417,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,615,616,619,620,621,627,633,635,638,641,642,652,656,657,660,661,665,667,669,678,679,680,681,684,689,690,697 +0415_00538 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00539 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,187,188,189,193,200,256,257,258,259,260,262,284,285,286,287,294,300,306,309,333,334,335,342,345,346,347,352,353,354,356,357,359,360,366,367,371,372,373,374,375,376,377,379,380,382,383,384,385,388,390,391,394,397,404,406,407,415,417,419,431,435,436,439,442,443,446,447,448,450,451,454,458,460,462,465,466,471,473,477,483,484,485,488,491,492,496,498,499,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,542,543,544,545,546,547,549,550,553,556,557,561,565,566,567,568,570,571,572,573,574,575,577,579,583,585,586,590,594,595,596,597,600,602,604,605,607,609,612,613,614,615,616,619,620,621,622,627,629,631,633,635,637,638,639,641,642,652,653,655,656,657,658,660,661,663,664,665,667,669,675,678,679,680,681,689,690,697,698,709,710,711,712,713,716,762,779,825 +0415_00540 10,11,12,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,352,354,356,358,359,369,371,372,375,377,378,384,385,387,388,391,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00541 10,11,12,13,14,15,31,32,179,180,186,187,193,194,200,201,207,208,256,258,260,262,284,285,293,305,333,345,356,371,372,385,411,417,425,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00542 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,335,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,567,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,616,619,620,621,627,629,633,634,635,638,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,778,799,819 +0415_00543 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,615,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713,738,801 +0415_00544 10,11,12,19,20,284,285,287,309,333,334,336,338,342,345,353,375,407,418,428,461,583,618,638,709,710 +0415_00545 10,11,12,15,16,34,35,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,352,354,356,358,359,369,371,372,377,378,384,385,387,388,391,397,404,413,417,419,420,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00546 10,11,12,15,179,180,184,185,186,256,284,285,286,300,333,334,337,341,345,352,356,357,371,372,375,377,378,385,391,393,394,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,759,822 +0415_00547 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00548 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,392,406,417,421,431,435,440,442,444,447,452,463,471,477,491,499,517,521,525,536,538,541,542,543,549,553,557,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,606,607,609,614,615,616,619,620,621,627,633,635,638,641,642,646,647,652,656,657,660,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00549 10,11,12,19,20,179,180,185,186,187,193,256,258,284,285,287,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,757,820 +0415_00550 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0415_00551 10,11,12,13,14,15,16,17,19,20,21,34,35,144,146,147,151,153,154,179,180,186,187,256,257,258,259,260,262,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,381,384,385,388,391,392,393,394,397,404,406,407,413,417,419,421,422,431,432,435,436,438,440,442,443,444,446,447,448,450,452,453,454,465,471,473,474,475,476,481,483,490,491,492,496,501,503,507,508,509,514,517,521,522,524,525,529,532,533,534,536,537,539,540,541,546,547,549,550,553,557,560,561,565,567,570,571,572,574,579,580,583,585,586,587,593,595,596,600,603,604,605,608,609,612,613,614,618,619,629,635,637,638,639,641,644,646,647,655,657,658,659,660,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711 +0415_00552 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00553 10,11,12,13,15,19,179,180,256,284,285,286,287,333,334,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,567,571,579,583,585,593,596,600,604,608,609,614,615,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,689,690,697,699,709,710,711 +0415_00554 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00555 10,11,12,19,20,21,31,179,180,186,187,256,258,284,285,287,315,333,340,342,345,347,353,356,367,371,372,375,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00556 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00557 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,699,701,702,705,709,710,711,757,820 +0415_00558 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,345,347,350,353,354,367,369,375,381,406,408,412,421,441,444,453,536,580,615,638,682,687,688 +0415_00559 10,11,12,13,15,179,184,185,284,285,286,333,345,346,352,366,375,391,392,417,435,442,446,447,450,465,503,517,525,541,565,583,593,600,614,657,665,680,684,689,697 +0415_00560 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,757,820 +0415_00561 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0415_00562 10,11,12,13,15,16,17,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,333,341,345,347,352,353,354,356,367,371,372,375,376,377,378,381,384,385,391,393,394,406,413,417,419,421,435,438,440,442,444,447,450,451,452,453,454,463,465,471,488,491,496,501,503,508,517,520,521,525,532,533,538,546,547,548,550,553,557,560,561,565,567,570,571,579,583,585,586,587,593,596,600,601,604,606,608,609,612,614,616,619,629,630,634,635,637,641,644,646,648,657,658,659,660,661,665,666,669,678,679,680,684,726,747,771,789,810,834 +0415_00563 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0415_00564 10,11,12,15,34,179,180,184,185,186,187,193,256,258,284,285,286,294,300,333,341,345,352,354,356,371,372,377,378,384,385,391,393,394,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,546,547,550,553,557,565,571,578,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00565 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,333,334,341,342,345,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,396,406,417,419,421,431,432,435,440,442,443,444,447,452,471,477,491,499,517,521,525,529,536,539,541,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,684,685,689,690,692,693,694,697,699,700,703,705,709,710,711,713,714,736,756,757,777,799,819,820 +0415_00566 10,11,12,13,19,20,144,145,179,180,183,186,187,193,194,200,256,258,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,664,665,667,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0415_00567 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00568 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,615,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00569 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,345,347,352,353,356,357,367,371,372,375,381,385,406,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,595,596,600,604,609,615,619,620,635,641,661,665,667,669,672,678,679,680,689,697,698,709,710,711 +0415_00570 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,345,352,353,356,357,371,372,381,385,407,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,596,600,604,609,618,619,620,635,641,661,665,668,669,672,678,679,680,689,697,698,709,710,711 +0415_00571 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,580,583,600,606,615,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00572 10,11,12,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,350,352,354,356,358,359,369,371,372,375,377,378,384,385,387,388,391,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00573 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0415_00574 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,336,340,342,345,347,352,353,356,357,367,371,372,375,381,385,406,407,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,572,574,579,583,585,595,596,600,604,609,615,618,619,620,635,638,641,661,665,667,669,672,678,679,680,681,689,690,691,697,698,701,702,709,710,711 +0415_00575 10,11,12,15,16,19,34,35,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,306,333,341,345,346,347,352,353,354,356,358,359,366,367,371,372,377,378,384,385,387,388,391,397,404,406,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,615,616,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,768,831 +0415_00576 10,11,12,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,738,764,778,801,827 +0415_00577 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,712,713,722,738,750,757,764,785,801,813,820,827 +0415_00578 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457,638 +0415_00579 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00580 10,11,12,19,20,21,31,284,285,287,315,333,334,336,345,347,353,367,375,408,412,426,457 +0415_00581 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00582 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,315,333,334,345,353,356,357,371,372,375,385,411,417,421,426,431,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,678,679,680,685,689,693,697,698,705,709,710,711,713,714,735,756,777,798,819 +0415_00583 10,11,12,13,15,16,19,179,180,186,187,193,194,256,258,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,376,385,391,392,393,394,417,421,431,435,442,447,452,465,471,491,517,521,525,529,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,644,646,647,655,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00584 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0415_00585 10,11,12,19,20,144,148,179,180,186,187,256,258,284,285,287,333,334,336,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,589,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,688,689,693,697,698,705,709,710,711,713,756,819,840,861 +0415_00586 10,11,12,13,19,20,31,284,285,293,309,315,333,334,335,336,345,349,375,411,412,426,457,583,709,710,712 +0415_00587 10,11,12,13,31,34,179,180,186,187,193,194,256,258,260,284,285,293,333,345,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00588 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0415_00589 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,333,334,345,347,353,356,357,367,371,372,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,568,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0415_00590 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,418,428,429,431,435,442,447,461,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0415_00591 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,729,792 +0415_00592 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,541,546,547,549,550,553,554,557,565,570,571,574,575,579,580,583,585,586,593,595,596,598,600,601,604,605,608,609,612,613,614,615,619,620,624,629,634,635,638,641,642,646,647,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,801 +0415_00593 10,11,12,13,19,20,21,31,284,285,287,315,333,345,347,353,367,375,406,408,412,426,457,568,615,638,663 +0415_00594 10,11,12,13,15,19,20,144,148,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,336,341,342,345,352,353,356,357,358,359,371,372,377,378,382,383,385,386,387,388,391,397,404,407,417,419,421,431,432,433,435,438,442,443,444,447,450,454,462,465,471,473,483,491,494,496,498,499,503,507,517,521,524,525,531,536,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,589,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,683,684,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,756,759,819,822,840,861 +0415_00595 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,418,421,428,429,431,433,435,441,442,444,447,453,461,491,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0415_00596 10,11,12,13,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00597 10,11,12,19,20,21,34,284,285,287,309,333,345,347,353,367,375,409,459,460,583,638,680,681,689,690,697,699 +0415_00598 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0415_00599 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00600 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,341,342,345,352,353,356,357,358,359,371,372,375,377,378,382,383,385,387,388,407,417,419,423,431,432,435,438,442,443,447,450,465,468,471,478,486,491,499,500,503,516,517,521,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,645,652,656,661,665,666,668,669,678,679,680,681,684,689,690,709,710,711,715,738,764,771,778,801,827,834 +0415_00601 10,11,12,13,15,19,20,21,22,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,580,583,615,618,638,640,660,663,680,681,685,689,690,691,693,694,695,697,699,701,705 +0415_00602 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,537,542,543,544,546,547,549,550,553,557,565,566,567,570,571,574,575,579,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,709,710,711,759,764,822,827 +0415_00603 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0415_00604 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0415_00605 10,11,12,13,15,19,34,179,180,186,187,193,194,256,258,260,284,285,286,287,294,333,334,341,342,345,352,353,356,357,366,371,372,375,377,378,382,383,385,386,391,392,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,503,509,517,521,525,541,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,627,629,634,635,638,641,642,652,656,658,661,665,666,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,715,736,738,756,778,799,801,819 +0415_00606 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0415_00607 10,11,12,13,19,20,21,22,31,32,179,180,186,187,193,194,200,201,207,208,256,258,260,262,284,285,287,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,596,600,604,607,609,619,620,635,638,640,641,642,652,654,656,661,665,669,678,679,680,681,690,691,702,741,804 +0415_00608 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0415_00609 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00610 10,11,12,13,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00611 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0415_00612 10,11,12,13,15,19,20,34,179,183,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,709,710,711 +0415_00613 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,646,647,657,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0415_00614 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,750,756,759,771,780,801,813,819,822,834 +0415_00615 10,11,12,13,14,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00616 10,11,12,13,19,20,21,31,179,180,186,187,256,258,284,285,287,315,333,334,336,342,345,347,353,356,367,371,372,375,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711 +0415_00617 10,11,12,13,14,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00618 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0415_00619 10,11,12,13,19,20,179,180,183,186,187,193,256,258,284,285,287,309,333,334,335,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0415_00620 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,336,345,347,352,353,356,357,367,371,372,375,381,385,406,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,595,596,600,604,609,615,619,620,635,638,641,661,665,667,669,672,678,679,680,681,689,690,697,698,709,710,711 +0415_00621 10,11,12,13,14,19,20,21,22,31,32,179,180,186,187,193,194,200,201,207,208,256,258,260,262,284,285,287,315,333,334,335,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00622 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0415_00623 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,426,431,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,700,709,710,711,713,715,778 +0415_00624 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00625 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,341,342,345,352,353,356,357,358,359,371,372,375,377,378,382,383,385,387,388,407,417,419,423,431,432,435,438,442,443,447,450,465,468,471,478,486,491,499,500,503,516,517,521,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,645,652,656,661,665,666,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,738,764,771,778,801,827,834 +0415_00626 10,11,12,13,14,19,20,21,22,144,147,151,154,158,161,179,182,186,189,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00627 10,11,12,13,14,19,20,21,22,144,147,151,154,158,161,179,182,186,189,193,196,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711 +0415_00628 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0415_00629 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00630 10,11,12,15,16,19,179,180,186,187,284,285,286,287,300,333,339,341,345,346,352,366,376,391,393,394,421,452,529,541,561,583,593,614,637,644,646,647,655,680,684 +0415_00631 10,11,12,15,284,285,286,345,346,352,366,375,391,392,541,657 +0415_00632 10,11,12,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,341,345,352,356,371,372,376,377,378,385,391,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684 +0415_00633 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00634 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00635 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00636 10,11,12,19,20,21,284,285,287,345,347,353,367,375,406,568,615,663 +0415_00637 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,614,657 +0415_00638 10,11,15,19,144,146,147,284,285,286,287,333,345,346,352,353,366,375,391,392,421,440,444,452,536,541,580,593,614,646,647,657,686 +0415_00639 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00640 10,11,12,13,14,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00641 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00642 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00643 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,684 +0415_00644 10,11,15,19,116,119,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,391,392,406,541,567,614,616,639,660 +0415_00645 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00646 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00647 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00648 10,11,12,15,19,284,285,286,287,333,345,352,353,366,375,391,392,421,440,444,452,536,541,580,583,593,614,647,680,684,685,689,693,697,705 +0415_00649 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00650 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00651 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00652 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00653 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,302,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,396,406,417,431,435,442,447,471,491,515,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00654 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684 +0415_00655 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689 +0415_00656 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,417,435,442,447,491,517,525,541,557,583,593,600,614,641,661,679,680,684,689,697 +0415_00657 10,11,12,31,284,285,293,333,334,345,375,411 +0415_00658 10,11,12,13,14,19,20,21,22,23,144,145,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,491,536,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,840,841 +0415_00659 10,11,12,13,14,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00660 10,11,12,15,19,144,146,147,284,285,286,287,333,345,346,352,353,366,375,391,392,421,440,444,452,536,541,580,583,593,614,646,647,657,680,684,686,689,697 +0415_00661 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,684 +0415_00662 10,11,12,19,31,179,180,186,187,256,258,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00663 10,11,12,13,19,20,31,34,179,180,186,187,193,194,256,258,260,284,285,293,294,333,345,349,350,354,356,369,371,372,385,411,415,417,435,442,447,458,459,460,466,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00664 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,685 +0415_00665 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00666 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0415_00667 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 diff --git a/processed_data/0415/0415_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0415/0415_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..3cea41791 --- /dev/null +++ b/processed_data/0415/0415_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,668 @@ +id bits.on +0415_00001 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0415_00002 10,11,12,15,284,285,286,300,333,345,346,352,366,375,394,529,583,593,644,680,684,689,697 +0415_00003 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0415_00004 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00005 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00006 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00007 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00008 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00009 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00010 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0415_00011 10,11,12,19,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,689,693,697,698,705,709,710,711 +0415_00012 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0415_00013 10,11,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711 +0415_00014 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0415_00015 10,11,19,20,21,284,285,287,309,333,334,338,342,345,353,381,407,421,441,444,453,463,536,538,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0415_00016 10,11,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0415_00017 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,285,286,287,300,333,341,352,353,356,358,359,360,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,524,528,531,536,537,539,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00018 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00019 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0415_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0415_00021 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00022 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00023 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00024 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0415_00025 10,11,15,19,20,21,34,179,181,182,284,285,286,287,294,309,333,345,346,347,350,352,353,354,366,367,369,391,392,406,409,415,458,459,460,466,541,567,614,615,616,657,660 +0415_00026 15,19,20,34,300,306,309,409,459,460 +0415_00027 10,11,15,16,144,149,150,284,285,286,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,637,655 +0415_00028 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0415_00029 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00030 10,11,12,13,15,16,17,19,20,21,22,31,32,144,146,147,151,154,158,161,179,181,182,186,188,189,256,257,258,259,260,261,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,421,431,432,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,567,568,570,571,572,573,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,613,614,615,618,619,622,624,625,629,634,635,637,638,639,640,641,655,657,658,660,661,663,664,665,666,669,672,673,674,675,678,679,681,682,683,684,685,691,692,696,703,709,710 +0415_00031 10,11,12,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,576,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,640,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0415_00032 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0415_00033 10,11,15,16,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,594,596,600,601,602,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00034 10,11,12,15,19,20,179,181,182,284,285,286,287,309,333,334,337,340,341,342,345,346,347,352,353,366,367,375,391,392,407,541,567,572,583,593,614,618,638,639,657,660,680,684,689,698,709,710 +0415_00035 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0415_00036 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0415_00037 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,586,594,597,602,603,612,613,614,618,622,625,629,637,640,648,655,658,663,664,674,675 +0415_00038 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0415_00039 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,647,648,655,658,674,675 +0415_00040 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0415_00041 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00042 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,648,655,658,674,675 +0415_00043 10,11,12,15,16,19,20,21,34,144,147,179,181,182,256,257,284,285,286,287,294,300,309,333,345,346,347,350,352,353,354,356,359,366,367,369,371,372,373,374,376,377,379,380,381,385,388,390,391,392,394,397,398,404,406,407,413,417,419,421,435,436,439,441,442,443,444,446,447,448,450,451,452,453,454,463,465,473,483,485,488,492,496,503,505,507,508,517,520,522,524,531,538,539,540,541,546,547,550,556,561,568,573,577,586,594,597,602,606,613,614,615,622,629,637,644,646,647,648,655,657,658,659,663,664,675 +0415_00044 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +0415_00045 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0415_00046 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0415_00047 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,422,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,509,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0415_00048 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0415_00049 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0415_00050 10,11,12,15,19,179,181,182,284,285,286,287,300,333,334,337,341,342,345,352,353,375,391,393,394,421,433,444,536,580,581,583,593,614,644,657,680,684,689,698,709,710 +0415_00051 10,11,12,15,179,180,256,284,285,286,333,341,345,352,356,366,371,372,375,377,378,385,391,392,417,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684 +0415_00052 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,494,496,497,505,507,516,518,520,523,524,528,531,536,539,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,636,637,645,646,648,651,655,658,673,674,675 +0415_00053 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,341,345,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,441,442,443,444,448,450,451,452,453,454,463,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,538,539,541,546,548,550,554,556,561,568,570,573,581,586,594,597,602,603,606,612,613,614,622,625,629,637,648,655,658,663,664,674,675 +0415_00054 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00055 10,11,19,20,31,179,180,256,284,285,293,309,315,333,345,356,371,372,385,412,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00056 10,11,12,15,16,19,20,34,144,147,179,181,182,256,257,284,285,286,287,294,300,309,333,345,346,347,350,352,353,354,356,359,366,367,369,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,413,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,508,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,586,594,597,602,613,614,615,622,629,637,644,646,647,648,655,657,658,659,663,664,675 +0415_00057 10,11,12,15,16,17,19,20,144,146,147,179,184,185,256,257,284,285,286,287,300,309,333,341,345,346,347,352,353,356,358,359,366,367,374,376,377,379,380,388,390,391,392,393,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,462,465,473,483,485,486,488,492,496,500,505,507,520,522,524,539,540,541,546,548,549,550,561,567,568,570,572,573,574,586,594,597,612,613,614,618,637,639,655,658,660,663,664,668,675 +0415_00058 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00059 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0415_00060 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0415_00061 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,463,471,477,491,499,517,521,525,529,536,538,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,684,685,689,690,691,693,697,699,701,702,705,709,710,711,715,778 +0415_00062 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,373,374,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,600,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0415_00063 10,11,12,15,16,17,19,20,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0415_00064 10,11,19,20,21,31,179,180,256,284,285,287,309,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00065 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,334,337,341,345,352,353,375,376,391,393,394,421,440,444,452,536,537,561,570,603,612,614,637,644,646,648,651,655 +0415_00066 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,371,372,382,383,385,407,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,682,690,720,783 +0415_00067 10,11,15,16,17,19,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,422,432,438,439,442,443,448,450,451,452,454,465,473,483,485,486,488,489,492,496,500,505,507,509,512,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,646,648,655,658,675 +0415_00068 10,11,12,15,19,179,180,256,284,285,286,287,309,333,341,342,345,352,353,356,366,371,372,375,377,378,382,383,385,391,392,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0415_00069 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0415_00070 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0415_00071 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0415_00072 10,11,12,15,179,184,185,284,285,286,333,345,346,352,366,375,391,392,417,435,442,446,447,450,465,503,517,525,541,565,593,600,614,657,665 +0415_00073 10,11,15,19,34,144,146,147,256,257,284,285,286,287,294,309,333,341,345,347,352,353,354,356,358,359,366,367,369,374,375,377,384,388,391,397,404,407,413,417,419,422,432,438,442,443,448,450,454,473,474,475,476,481,483,490,491,492,496,501,507,508,509,522,524,525,532,534,539,540,541,546,557,571,572,583,586,587,593,614,618,635,638,642,656,658,661,666,669,679,681,683 +0415_00074 10,11,12,15,144,146,147,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00075 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,352,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,750,813 +0415_00076 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10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0415_00078 10,11,12,15,16,144,149,150,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,376,385,391,393,394,417,419,431,435,439,442,443,447,451,454,465,471,488,491,517,520,521,525,529,539,541,550,553,556,557,565,570,571,577,579,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,644,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00079 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,302,333,342,345,352,353,356,359,371,372,375,376,377,379,380,382,385,388,394,396,417,419,421,424,433,435,439,442,443,444,447,450,451,455,465,491,494,499,503,515,524,525,531,536,539,540,542,543,546,547,549,550,554,556,557,559,571,574,581,593,600,601,625,634,639,644,653,666,674 +0415_00080 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0415_00081 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,352,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,750,759,813,822 +0415_00082 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,648,651,655,658,674,675 +0415_00083 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,594,596,598,600,601,602,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,750,801,813 +0415_00084 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711 +0415_00085 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10,11,15,16,17,19,20,179,181,182,256,257,284,285,286,287,300,333,334,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,379,380,381,385,388,390,391,394,397,404,406,417,419,421,431,436,439,441,442,443,444,446,447,448,450,451,453,454,465,473,483,485,488,492,494,496,505,507,520,522,524,531,536,539,541,546,549,550,554,556,561,573,574,577,581,586,594,595,597,602,605,614,615,622,625,629,637,639,655,658,667,673,674,675 +0415_00098 10,11,12,15,16,144,149,150,179,180,256,284,285,286,300,333,334,345,346,352,356,357,366,371,372,376,385,391,393,394,417,419,431,435,439,442,443,447,451,454,471,488,491,517,520,521,525,529,539,540,541,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,635,641,644,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00099 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10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,367,371,372,375,376,377,379,380,382,385,388,390,391,394,397,404,406,417,419,435,439,442,443,447,450,451,454,465,473,477,483,485,488,496,499,503,505,507,520,524,531,539,540,542,543,546,547,549,550,556,561,566,573,574,586,590,594,595,597,602,605,614,622,627,629,637,639,644,653,655,658,667,675 +0415_00103 10,11,12,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,496,503,507,517,521,524,525,531,536,539,540,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,759,822 +0415_00104 10,11,12,13,15,16,17,19,20,179,181,182,186,188,189,284,285,286,287,300,333,334,337,339,341,345,346,352,366,367,375,391,392,393,394,421,449,452,541,583,593,594,614,644,646,647,657,680,684,689,698,709,710 +0415_00105 10,11,12,15,16,17,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,376,377,378,385,391,394,417,419,431,435,438,442,447,450,451,454,465,471,488,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00106 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10,11,12,15,16,19,284,285,286,287,333,334,345,346,352,353,366,375,391,392,417,419,431,442,443,447,454,539,541,556,574,594,600,614 +0415_00109 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0415_00110 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00111 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0415_00112 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,593,614,637,655,657 +0415_00113 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,366,367,371,372,382,383,385,394,406,407,417,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,639,641,642,644,652,656,661,663,664,665,667,669,678,679,680,681,690 +0415_00114 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00115 10,11,19,20,31,284,285,293,309,315,333,345,349,375,412 +0415_00116 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00117 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10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0415_00119 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,750,813 +0415_00121 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,302,309,345,346,347,352,353,359,360,366,367,371,373,374,375,376,377,379,380,388,390,391,392,396,397,398,402,404,407,417,419,424,436,439,443,446,447,448,450,451,454,455,456,473,483,485,486,488,492,496,500,503,505,507,515,520,522,540,541,547,548,559,561,567,570,572,573,597,612,637,649,655,657,660,675 +0415_00122 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00123 10,11,12,15,179,181,182,284,285,286,300,333,334,337,341,345,352,375,391,393,394,583,593,614,644,657,680,684,689,698,709,710 +0415_00124 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0415_00125 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,541,580,583,593,614,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0415_00126 10,11,12,15,16,19,20,21,34,179,180,256,284,285,286,287,294,300,333,334,342,345,346,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,491,494,499,501,508,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00127 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,341,345,347,352,353,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,729,792 +0415_00128 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0415_00129 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0415_00130 10,11,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,345,352,353,356,357,371,372,385,394,396,417,421,431,435,440,442,444,447,452,465,471,491,494,515,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0415_00131 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0415_00132 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0415_00133 10,11,12,15,16,19,179,180,256,284,285,286,287,300,301,333,334,339,341,345,346,352,353,356,357,366,371,372,375,385,391,393,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,511,516,517,521,523,525,529,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,714,777 +0415_00134 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,520,522,524,528,529,531,532,534,539,541,546,548,550,556,561,570,573,586,587,594,597,602,612,614,622,629,630,637,655,658,675 +0415_00135 10,11,12,15,16,144,149,150,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,376,385,391,392,417,431,435,442,446,447,450,465,471,491,503,517,521,525,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,678,679,680,684,689,709,710,711 +0415_00136 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00137 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0415_00138 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,517,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,641,642,652,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,697,698,699,700,709,710,711,715,736,762,778,799,825 +0415_00139 10,19,20,21,31,284,287,315,367,375,408,412 +0415_00140 10,11,12,13,15,16,17,18,19,20,21,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,360,366,371,372,373,374,375,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,485,486,488,491,492,494,496,500,503,505,507,517,520,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,561,565,567,570,571,573,578,579,580,583,585,586,593,594,596,597,598,600,601,602,603,604,608,609,612,614,618,619,622,624,629,634,635,637,638,641,644,646,647,655,657,658,660,661,665,666,669,672,673,675,678,679,680,681,683,684,685,686,689,691,693,694,695,696,705,708,709,710,711,717,780 +0415_00141 10,11,12,15,16,34,144,146,147,149,150,151,179,180,256,284,285,286,294,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,376,385,391,392,413,417,419,431,435,442,447,451,454,465,471,476,488,490,491,508,517,520,521,525,541,550,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00142 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,407,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,591,593,594,595,596,597,600,602,604,605,607,609,614,618,619,620,622,627,629,631,632,635,637,638,640,641,642,652,654,655,656,658,661,663,664,665,666,667,668,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0415_00143 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0415_00144 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,294,300,309,333,334,341,345,352,354,356,357,358,359,360,371,372,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,409,415,417,419,431,432,435,438,439,442,443,447,450,451,454,458,459,460,465,466,471,473,482,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,726,747,771,789,810,834 +0415_00145 10,11,19,20,31,179,180,256,284,285,293,309,315,333,334,345,349,356,357,371,372,385,412,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00146 10,11,15,16,19,20,144,146,147,284,285,286,287,300,333,334,337,341,345,352,353,366,375,376,391,392,393,394,421,440,444,452,536,537,541,561,570,603,612,614,637,646,647,648,651,655 +0415_00147 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,672,673,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0415_00148 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,668,669,678,679,680,681,689,690,691,697,699,701,702,709,710,711,715,778 +0415_00149 10,11,15,19,20,34,179,180,284,285,286,300,306,309,333,339,341,345,346,352,366,394,409,459,460,529,583,593,644,680,684 +0415_00150 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00151 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,750,759,813,822 +0415_00152 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00153 10,11,12,15,16,17,19,116,117,144,146,147,148,151,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,473,483,485,486,488,491,492,496,500,505,507,517,520,522,524,525,529,531,539,541,546,548,550,556,557,561,570,572,573,583,586,593,594,597,600,602,612,614,618,622,629,637,638,641,642,644,655,657,658,661,675,679,681,683,709,710 +0415_00154 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00155 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0415_00156 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0415_00157 10,11,12,15,16,19,20,144,146,147,284,285,286,287,300,333,339,341,345,346,352,353,366,375,391,392,394,421,440,444,452,536,537,541,570,580,593,603,612,614,644,646,647,657,686 +0415_00158 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,336,337,341,345,352,394,583,593,644,680,684,689,697,698,709,710,711,798,801 +0415_00159 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,699,703,704,709,710,711,743,757,759,806,820,822 +0415_00160 10,11,19,31,284,285,293,315,345,349,375,411,426 +0415_00161 10,11,12,15,16,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,300,333,334,341,345,346,352,356,357,358,359,360,366,371,372,373,374,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,436,438,439,442,443,446,447,448,450,451,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,709,710,771,834 +0415_00162 10,11,12,15,16,34,144,146,147,179,180,256,257,258,284,285,286,294,300,333,339,341,345,346,352,354,356,358,359,366,371,372,375,377,378,384,385,387,388,391,394,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,529,531,532,533,534,539,540,546,547,550,553,556,557,565,570,571,577,579,583,585,586,587,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00163 10,11,12,15,179,180,181,182,186,256,257,258,284,285,286,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,386,387,388,391,397,404,417,419,431,432,435,438,442,443,447,450,454,465,471,473,483,491,496,503,507,517,521,524,525,531,539,540,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,735,759,780,798,822 +0415_00164 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0415_00165 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,705,709,710,711 +0415_00166 10,11,12,15,16,17,19,20,116,117,144,146,147,148,151,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,358,359,360,366,374,376,377,378,379,380,381,385,387,388,389,390,391,392,393,394,397,398,404,407,417,419,421,432,435,438,439,441,442,443,444,447,448,450,451,453,454,465,473,483,485,486,488,491,492,496,500,505,507,517,520,522,524,525,529,531,536,539,541,546,548,550,556,557,561,570,573,580,583,586,593,594,597,600,602,612,614,618,622,629,637,638,641,642,644,655,657,658,661,675,679,681,683,685,686,709,710 +0415_00167 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0415_00168 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0415_00169 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0415_00170 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,594,596,598,600,601,602,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,750,801,813 +0415_00171 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00172 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,301,302,309,333,341,345,352,356,358,359,371,372,377,378,385,387,388,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00173 10,11,12,15,16,19,20,144,149,150,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,536,537,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,594,596,598,600,601,603,604,608,609,612,614,619,624,629,634,635,641,644,646,647,651,657,661,665,666,669,672,673,678,679,680,684,685,686,689,693,695,696,697,705,709,710,711,713,738,756,759,801,819,822 +0415_00174 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00175 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,614,619,622,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,750,771,813,834 +0415_00176 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,301,309,333,341,342,345,352,353,356,358,359,371,372,377,378,382,383,385,387,388,399,407,417,419,423,432,435,438,442,443,447,450,462,465,471,478,486,491,498,499,500,503,516,517,521,523,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,639,641,642,652,653,656,661,665,666,668,669,678,679,680,681,684,690,692,704,743,764,771,806,827,834 +0415_00177 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00178 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,529,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00179 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0415_00180 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00181 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00182 10,11,12,15,16,17,19,20,34,144,146,147,151,153,154,179,181,182,256,257,258,259,260,261,284,285,286,294,300,302,333,341,352,354,356,358,359,360,366,374,375,376,377,378,379,380,384,385,387,388,389,390,391,392,393,394,396,397,398,400,401,402,404,413,417,419,424,432,438,439,442,443,448,450,451,454,455,456,465,473,474,476,483,485,486,488,489,490,492,496,500,501,505,507,508,515,520,522,524,528,529,531,532,534,539,541,546,548,550,556,559,561,570,573,586,587,594,597,602,612,614,622,629,630,637,649,655,658,659,675 +0415_00183 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,554,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,668,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825,827 +0415_00184 10,11,12,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,371,372,376,377,378,380,382,385,386,387,388,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,440,442,443,444,447,450,451,452,454,465,471,473,483,485,488,489,491,494,496,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,550,553,554,556,557,561,565,571,573,577,579,580,581,583,585,586,593,594,596,597,598,600,601,602,604,608,609,614,619,622,624,625,629,634,635,637,641,644,646,648,651,655,658,661,665,666,669,672,673,674,675,678,679,680,684,685,689,693,705,709,710,711,759,822 +0415_00185 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00186 10,11,19,20,34,179,180,256,284,285,294,309,333,334,345,354,356,357,371,372,375,384,385,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0415_00187 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,661,665,669,678,679,680,684,689,709,710,711,714,777 +0415_00188 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00189 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,352,353,356,357,359,367,371,372,375,376,377,379,380,382,383,385,388,390,391,393,394,397,400,401,404,406,417,419,421,431,435,439,440,442,443,444,447,450,451,452,454,465,471,473,477,483,485,488,489,491,494,496,499,505,507,520,521,524,525,528,531,536,539,542,543,545,546,549,550,553,554,556,557,561,565,566,568,571,573,574,575,576,579,580,581,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,625,627,629,631,635,637,638,640,641,642,648,652,654,655,656,658,661,663,665,666,667,669,674,675,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,715,736,741,762,778,799,804,825 +0415_00190 10,11,12,13,15,16,179,180,181,182,186,188,189,193,214,219,220,256,257,258,284,285,286,333,334,339,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,756,819 +0415_00191 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,819,820 +0415_00192 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,639,640,641,642,643,644,652,653,656,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,743,757,780,806,820 +0415_00193 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0415_00194 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00195 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0415_00196 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,697,698,699,700,702,703,704,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00197 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,644,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00198 10,11,12,15,16,17,19,20,21,116,118,119,144,146,147,149,150,151,179,183,284,285,286,287,300,333,334,336,339,341,342,345,346,347,352,353,366,367,375,381,391,392,393,394,406,417,421,431,433,438,442,444,450,452,453,491,525,529,536,537,541,554,557,560,567,570,580,583,593,594,603,612,613,614,616,638,639,640,641,642,644,657,660,661,672,674,679,680,681,683,684,685,686,687,689,690,692,693,696,697,704,705,708,709,710,711 +0415_00199 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,644,646,656,657,658,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,703,704,705,708,709,710,711,717,780 +0415_00200 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,377,378,382,383,384,385,391,392,393,394,407,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,570,571,574,575,579,580,582,583,585,587,591,593,596,598,601,604,607,608,609,612,614,618,619,620,624,626,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0415_00201 10,11,12,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,537,542,543,549,553,557,565,566,567,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,615,618,619,620,621,627,633,635,638,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,685,689,690,693,697,699,705,709,710,711,715,720,778,783 +0415_00202 10,11,12,15,16,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,294,300,333,334,336,341,345,346,352,354,356,358,359,366,371,372,377,378,384,385,387,388,391,393,394,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,709,710,768,831 +0415_00203 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,367,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,449,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00204 10,11,12,15,19,179,180,214,216,217,256,284,285,286,287,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,736,799 +0415_00205 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0415_00206 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0415_00207 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,618,620,638,639,641,644,646,647,657,660,661,667,668,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0415_00208 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00209 10,11,12,15,16,17,19,20,21,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,309,333,340,341,342,345,346,347,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,384,385,387,388,389,390,391,392,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,474,476,483,485,486,488,490,492,496,500,501,505,507,508,520,522,524,531,532,534,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,630,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0415_00210 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0415_00211 10,11,12,15,19,20,179,181,182,284,285,286,287,302,309,333,334,337,340,341,342,345,347,352,353,367,375,391,396,407,515,572,583,593,614,618,638,639,657,680,684,689,698,709,710 +0415_00212 10,11,12,15,19,20,144,146,147,284,285,286,287,309,333,339,341,345,346,352,353,366,375,381,391,392,407,421,440,441,444,452,453,536,537,541,567,580,593,603,614,618,638,646,647,657,660,686 +0415_00213 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,583,593,614,637,655,680,684 +0415_00214 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,309,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,381,382,383,385,387,388,390,391,393,394,397,400,401,404,406,407,413,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,474,476,477,479,483,485,486,488,489,490,491,492,494,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,536,539,540,541,542,543,546,547,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,576,577,578,579,580,581,582,583,585,586,587,590,593,595,596,597,598,600,601,604,605,607,608,609,612,614,618,619,620,624,625,626,627,629,634,635,637,638,639,640,641,642,643,644,652,653,655,656,657,658,661,665,666,667,668,669,672,673,674,675,678,679,680,681,683,684,685,690,692,693,696,703,704,708,709,710,711,722,743,771,785,806,834 +0415_00215 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0415_00216 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00217 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00218 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,667,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00219 10,11,12,15,179,180,181,182,186,187,193,256,257,258,260,284,285,286,333,334,341,345,352,356,357,358,359,371,372,377,378,385,386,387,388,391,397,404,417,419,431,432,435,438,442,443,447,450,454,465,471,473,483,491,496,503,507,517,521,524,525,531,539,540,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0415_00220 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,301,302,333,341,345,346,352,356,358,359,366,367,371,372,373,374,375,377,378,381,385,387,388,391,394,395,396,397,399,404,406,417,419,421,432,435,436,438,442,443,446,447,448,450,452,453,454,465,468,471,473,483,486,491,492,496,500,503,507,515,517,519,521,522,524,525,531,539,540,541,546,547,548,550,553,556,557,560,565,570,571,577,578,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,641,645,657,658,661,665,666,669,678,679,680,684,771,834 +0415_00221 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,309,333,334,339,341,345,346,347,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,549,550,553,556,557,561,565,571,572,574,575,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,618,619,620,622,629,634,635,638,641,642,644,646,647,655,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,699,709,710,711,738,801 +0415_00222 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,385,391,392,393,394,407,417,421,431,433,435,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,594,596,600,603,604,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,696,697,699,700,705,709,710,711 +0415_00223 10,11,12,15,16,17,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,421,431,433,435,436,439,442,443,444,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,494,496,499,505,507,520,521,522,524,525,531,536,539,541,542,543,545,546,549,550,553,554,556,557,561,565,566,568,571,573,574,575,576,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,602,604,605,607,609,614,619,620,622,624,625,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,672,673,674,675,678,679,680,681,684,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00224 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,341,345,352,356,358,359,371,372,377,378,385,387,388,399,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00225 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,345,347,352,353,356,367,371,372,377,378,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,538,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,660,661,665,666,669,678,679,680,684 +0415_00226 10,11,12,15,16,17,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,301,309,333,334,339,340,341,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,423,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,616,618,622,625,629,637,638,639,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0415_00227 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,771,834 +0415_00228 10,11,12,13,15,16,17,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,347,352,353,356,357,367,371,372,376,382,383,385,394,406,417,419,431,435,439,442,443,447,451,465,471,477,489,491,499,517,521,525,539,542,543,549,550,553,556,557,565,566,571,574,575,577,579,583,585,590,593,595,596,600,604,605,607,608,609,615,619,620,621,627,633,634,635,638,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,692,709,710,711,715,778 +0415_00229 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,660,661,663,664,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0415_00230 10,11,12,15,16,17,19,31,144,146,147,179,180,256,257,258,284,285,286,301,302,305,315,333,341,345,352,356,358,359,366,371,372,375,377,378,385,387,388,391,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,541,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0415_00231 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0415_00232 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0415_00233 10,11,12,15,179,180,186,187,256,258,284,285,286,300,333,334,345,346,352,356,357,366,371,372,385,391,393,394,417,431,435,442,447,465,471,491,517,521,525,529,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00234 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,714,771,777,834 +0415_00235 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,371,372,375,381,382,383,385,391,392,406,417,421,431,435,442,447,452,453,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,641,642,646,647,652,656,661,665,667,669,678,679,680,681,683,684,689,690,697,699,700,709,710,711,736,799 +0415_00236 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0415_00237 10,11,12,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,489,491,495,496,500,505,507,516,517,518,520,521,524,525,528,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,636,641,644,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00238 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00239 10,11,12,13,15,16,17,19,179,180,181,182,186,187,188,189,193,195,196,200,207,256,257,258,259,260,262,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,378,380,385,388,390,391,392,393,394,397,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,488,491,492,494,496,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,561,565,570,571,573,577,578,579,580,583,585,586,593,594,596,597,598,600,601,602,604,608,609,612,614,619,622,624,629,634,635,637,641,644,646,655,657,658,661,665,666,669,672,673,675,678,679,680,684,685,689,693,705,709,710,711,714,717,750,759,777,780,813,822 +0415_00240 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,431,432,433,435,436,438,442,443,444,446,447,448,450,451,454,465,471,473,474,476,477,479,483,485,486,488,489,490,491,492,494,496,499,500,503,505,507,508,517,520,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,578,579,580,581,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,624,625,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,672,673,674,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0415_00241 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0415_00242 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00243 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,360,371,372,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,407,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,561,565,570,571,573,574,575,577,579,583,585,586,591,593,596,597,600,601,604,607,608,609,612,614,618,619,620,629,634,635,637,638,639,641,642,644,652,655,656,657,658,661,665,666,668,669,675,678,679,680,681,684,689,690,699,709,710,711,757,771,820,834 +0415_00244 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,301,302,333,342,345,346,352,353,356,366,371,372,376,377,382,385,391,393,394,396,402,406,410,417,419,421,424,433,435,436,440,442,443,444,447,448,450,452,455,456,462,465,468,471,477,491,493,494,499,503,515,516,517,518,519,521,525,536,537,539,541,542,543,546,547,549,550,553,554,556,557,559,561,565,566,570,571,574,575,577,579,580,583,585,590,593,595,596,598,600,601,603,604,605,607,608,609,612,613,615,620,621,624,627,633,634,635,636,637,638,641,642,644,645,646,647,648,651,652,655,656,661,665,666,667,669,672,673,678,679,681,683,684,685,686 +0415_00245 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,360,367,371,372,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,477,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,579,583,585,586,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,655,656,657,658,661,665,666,667,669,675,678,679,680,681,684,689,690,699,709,710,711,757,771,820,834 +0415_00246 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,371,372,377,382,384,385,386,388,394,400,417,419,421,422,431,435,440,442,443,444,447,450,452,465,471,472,484,491,494,514,517,521,524,525,528,531,532,533,536,539,546,550,553,554,556,557,565,571,577,579,580,583,585,593,596,598,600,601,604,608,609,619,624,630,634,635,641,661,665,666,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0415_00247 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00248 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0415_00249 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0415_00250 10,11,12,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00251 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,302,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,396,406,407,417,431,435,442,447,471,477,491,499,515,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0415_00252 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0415_00253 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,583,586,593,594,597,602,603,612,614,618,622,625,629,637,638,646,647,648,651,655,657,658,674,675,680,681,684,692,703 +0415_00254 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00255 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0415_00256 10,11,12,13,15,16,19,20,21,179,181,182,186,188,189,284,285,286,287,333,334,337,340,341,342,345,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,580,583,593,614,615,638,639,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00257 10,11,12,13,15,16,19,20,21,22,179,180,183,186,187,190,193,200,256,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,394,407,417,421,431,433,435,440,442,444,447,452,463,465,471,491,499,517,521,525,536,537,538,541,542,543,549,553,554,557,565,568,571,572,574,575,576,579,580,581,582,583,585,589,591,593,596,600,603,604,607,609,614,618,619,620,635,638,639,640,641,642,643,652,656,661,664,665,668,669,672,678,679,680,681,682,683,684,685,686,687,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,736,756,757,777,778,798,799,804,819,820 +0415_00258 10,11,15,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,309,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,397,404,409,413,415,417,419,422,432,435,438,442,443,447,450,454,458,459,460,465,469,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00259 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,690,722,785 +0415_00260 10,11,12,15,16,144,146,147,179,180,186,187,256,257,258,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,366,371,372,375,376,377,378,380,385,387,388,390,391,392,393,394,397,400,401,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,717,771,780,834 +0415_00261 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0415_00262 10,11,12,13,15,16,19,20,21,179,181,182,186,188,189,284,285,286,287,300,333,334,337,340,341,342,345,347,352,353,367,375,381,391,393,394,406,421,441,444,453,536,580,583,593,614,615,638,639,644,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00263 10,11,12,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,341,345,352,354,356,358,359,367,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,421,432,435,438,442,443,447,450,451,452,453,454,458,465,466,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0415_00264 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,536,538,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,660,661,665,666,669,678,679,680,684 +0415_00265 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00266 10,11,12,13,15,19,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,385,391,393,394,407,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,571,574,575,579,583,585,593,596,600,604,609,614,618,619,620,635,638,641,642,644,656,657,661,665,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713 +0415_00267 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,337,341,345,352,375,394,583,593,644,680,684,689,697,698,709,710,711,712,798,801 +0415_00268 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,367,371,372,375,376,377,378,380,381,382,383,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,477,483,485,486,488,489,491,496,499,500,503,505,507,517,520,521,524,525,528,531,539,540,542,543,546,547,548,549,550,553,556,557,560,561,565,566,570,571,573,574,575,577,579,583,585,586,590,593,595,596,597,600,601,604,605,607,608,609,612,614,615,619,620,621,627,629,633,634,635,637,638,639,641,642,644,648,652,653,655,656,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,722,743,771,785,806,834 +0415_00269 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00270 10,11,12,15,19,179,180,256,284,285,286,287,300,333,341,345,352,353,356,371,372,375,377,378,385,391,393,394,417,421,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684 +0415_00271 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00272 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,340,341,342,345,347,352,353,356,366,367,371,372,375,377,378,385,391,392,407,417,421,435,438,440,442,444,447,450,452,463,465,471,491,496,503,517,521,525,536,538,541,546,547,550,553,557,565,567,571,572,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684 +0415_00273 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00274 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,309,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0415_00275 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,342,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,433,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,580,581,583,586,593,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675,680,684,685,696 +0415_00276 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0415_00277 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,301,309,333,341,342,345,352,353,356,358,359,366,371,372,375,377,378,382,383,385,388,391,397,407,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,462,463,465,468,471,478,483,491,494,496,497,498,499,503,516,517,519,521,522,524,525,531,536,538,539,540,541,542,544,546,547,550,553,554,556,557,565,567,571,578,579,580,581,583,585,586,588,591,593,594,596,600,601,602,604,608,609,614,617,618,619,622,624,625,629,634,635,641,645,646,657,658,660,661,665,666,669,672,674,678,679,680,684 +0415_00278 10,11,12,13,15,16,17,18,19,20,21,22,34,35,130,132,133,144,146,147,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,301,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,376,380,381,382,383,385,390,391,392,393,394,397,407,413,417,419,421,423,431,435,438,440,441,442,444,447,450,451,452,453,454,465,471,476,487,488,490,491,497,499,505,508,517,518,520,521,522,525,529,536,537,541,542,543,549,550,553,554,557,561,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,647,648,651,652,655,656,657,659,660,661,665,668,669,672,678,679,680,681,684,685,689,690,692,693,697,703,704,705,709,710,711,715,778 +0415_00279 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,438,442,443,447,450,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,568,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,652,653,656,657,658,660,661,663,664,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,703,704,709,710,711,713,743,757,759,806,820,822 +0415_00280 10,11,19,20,179,180,256,284,285,287,309,333,342,345,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,668,669,678,679,680,681,682,690,720,783 +0415_00281 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,407,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,549,550,553,554,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,656,657,661,665,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,698,699,703,705,709,710,711,735,798 +0415_00282 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0415_00283 10,11,12,15,19,20,21,34,35,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,384,385,391,392,406,409,413,415,417,421,422,431,438,440,442,444,447,450,452,458,459,460,465,466,471,472,481,491,496,501,508,521,525,532,534,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0415_00284 10,11,12,13,15,16,19,20,21,116,118,119,144,146,147,149,150,151,179,183,284,285,286,287,300,333,334,336,339,341,342,345,346,347,352,353,366,367,375,381,391,392,393,394,406,417,421,431,433,438,442,444,450,452,453,463,477,491,499,525,529,536,537,538,541,554,557,560,567,570,580,583,593,594,603,606,612,613,614,616,638,639,640,641,642,644,657,660,661,672,674,679,680,681,683,684,685,686,687,689,690,691,692,693,696,697,699,701,702,703,704,705,708,709,710,711 +0415_00285 10,11,12,13,15,19,20,21,22,179,180,182,183,186,187,190,193,200,207,256,258,284,285,286,287,300,309,333,334,338,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,529,536,538,542,543,549,553,554,557,564,565,566,567,568,571,572,574,575,576,579,580,582,583,585,590,591,593,595,596,598,600,604,605,607,609,611,615,618,619,620,624,626,627,635,638,639,640,641,642,643,644,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,778,783,798,799,804,819,820 +0415_00286 10,11,12,13,15,19,20,116,117,179,180,256,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0415_00287 10,11,12,15,16,17,19,20,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,393,394,397,400,401,404,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,494,495,496,500,503,505,507,520,521,524,525,528,531,536,537,539,540,546,547,548,550,553,554,556,557,561,565,570,571,573,577,578,579,581,583,585,586,593,594,596,597,600,601,602,603,604,608,609,612,614,619,622,625,629,634,635,637,641,646,648,651,655,657,658,661,665,666,669,674,675,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0415_00288 10,11,12,13,14,15,16,19,20,21,22,34,35,179,180,183,186,187,193,194,200,201,207,256,258,260,262,284,285,286,294,309,333,334,341,345,346,352,354,356,357,366,371,372,375,377,378,384,385,391,392,409,415,417,419,431,432,435,438,442,443,447,450,454,458,459,460,465,466,471,482,491,496,503,517,521,525,532,533,540,541,546,547,550,553,556,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,737,758,780,800,821 +0415_00289 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,342,345,352,353,354,356,359,366,367,371,372,374,375,376,377,378,379,380,382,383,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,448,450,451,454,458,460,462,465,466,471,473,477,483,484,485,488,491,492,496,498,499,503,505,507,517,520,521,522,524,525,531,532,533,539,541,542,544,545,546,547,549,550,553,556,557,561,565,566,567,568,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,616,619,622,627,629,631,634,635,637,639,641,644,653,655,658,660,661,663,665,666,667,669,675,678,679,680,684,726,789 +0415_00290 10,11,12,19,20,34,179,180,186,187,256,258,284,285,294,309,333,334,345,354,356,357,371,372,384,385,386,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,697,709,710,711,713,716,737,756,779,800,819 +0415_00291 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,714,777 +0415_00292 10,11,12,19,31,284,285,293,315,324,333,334,345,375,411 +0415_00293 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,309,333,345,347,349,353,356,367,371,372,385,407,411,417,435,442,447,471,491,517,521,525,553,557,565,571,572,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00294 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,567,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,616,619,620,621,627,629,633,634,635,638,641,642,652,656,657,660,661,665,667,669,678,679,680,681,684,689,690,709,710,711 +0415_00295 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00296 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00297 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680 +0415_00298 10,11,12,19,20,31,179,180,186,187,256,258,284,285,293,309,315,333,345,356,371,372,385,411,412,417,426,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00299 10,11,12,13,15,16,19,179,180,181,182,186,187,193,214,219,220,256,258,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,407,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,567,570,571,572,578,579,583,585,586,593,594,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00300 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,302,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,396,406,407,417,431,435,442,447,471,477,491,499,515,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0415_00301 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0415_00302 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,309,333,334,337,341,342,345,352,353,356,357,371,372,376,382,383,385,391,393,394,407,417,421,431,435,440,442,444,447,452,465,471,491,499,517,521,525,536,537,542,543,549,550,553,557,561,565,570,571,574,575,579,580,583,585,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,646,648,651,652,655,656,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,715,778 +0415_00303 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,342,345,349,353,356,371,372,375,385,411,417,421,433,435,442,444,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00304 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0415_00305 10,11,12,15,16,17,19,116,117,179,181,182,186,188,189,214,219,220,256,257,258,259,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,376,377,378,379,380,385,388,391,392,393,394,397,404,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,465,471,473,483,485,488,491,492,494,496,500,503,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,550,553,554,556,557,561,565,570,571,577,578,579,580,581,583,585,586,593,594,596,597,598,600,601,604,608,609,612,614,619,624,625,629,634,635,637,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,684,685,696,709,710,711 +0415_00306 10,11,12,19,20,21,144,147,151,154,179,182,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,564,568,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0415_00307 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00308 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,338,341,342,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,380,381,385,388,390,391,392,397,398,399,404,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,462,465,471,473,483,485,486,487,488,491,494,495,496,500,505,507,516,517,518,520,521,522,523,524,525,531,536,537,539,540,541,546,548,549,550,553,554,556,557,561,565,567,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,600,603,604,608,609,612,614,618,619,620,624,625,629,634,635,637,638,639,641,655,657,658,660,661,665,666,668,669,672,674,675,678,679,680,681,682,684,685,687,689,697,698,709,710,711,713,714,756,777,819 +0415_00309 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,334,345,346,352,353,356,357,366,371,372,375,381,385,391,392,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,536,541,549,550,553,554,557,565,571,574,575,579,580,583,585,593,596,598,600,604,608,609,614,618,619,620,624,629,634,635,638,641,642,646,647,656,657,661,665,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,695,696,698,699,703,705,709,710,711,735,798 +0415_00310 10,11,12,15,16,19,20,21,34,35,144,147,179,181,182,184,185,186,256,257,258,259,284,285,286,287,294,300,306,309,333,341,342,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,472,473,481,483,484,485,488,491,492,496,499,501,503,507,508,514,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,587,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,659,661,665,666,668,669,672,675,678,679,681,684 +0415_00311 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,342,345,352,353,356,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,542,543,544,546,547,549,550,553,557,565,566,567,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,616,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,669,678,679,680,681,684,690,764,827 +0415_00312 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00313 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,367,375,376,380,390,391,393,394,397,404,406,419,451,454,485,488,505,520,529,541,561,573,597,637,644,655 +0415_00314 10,11,12,15,19,20,144,146,147,179,180,284,285,286,287,300,333,334,335,345,352,353,391,393,394,421,440,444,452,536,580,583,593,614,644,646,651,657,680,684,685,686,688,689,693,697,698,705,709,710,711,712 +0415_00315 10,11,19,20,21,31,284,285,287,315,345,347,353,367,375,408,412 +0415_00316 10,11,12,15,19,31,179,180,186,187,256,258,284,285,293,300,305,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00317 10,11,12,13,15,19,20,144,146,147,151,153,154,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,618,619,620,635,638,639,641,642,656,657,661,663,664,665,668,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0415_00318 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,391,393,394,396,415,417,419,421,424,433,435,438,439,440,442,443,444,447,450,451,452,455,458,460,465,466,471,484,491,494,496,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,586,593,596,600,601,604,608,609,614,619,625,629,634,635,639,641,644,646,653,657,658,661,665,666,669,674,678,679,680,684,726,789 +0415_00319 10,11,12,13,15,16,19,144,149,150,179,180,256,284,285,286,287,300,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,376,382,383,385,391,393,394,407,417,419,431,435,439,442,443,447,451,454,471,488,491,499,520,521,525,529,539,540,541,542,549,553,557,565,570,571,574,575,579,583,585,591,593,596,597,600,604,607,608,609,612,614,618,619,620,635,638,641,642,644,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,714,715,735,736,756,757,777,778,798,799,819,820 +0415_00320 10,11,12,13,15,19,20,144,148,179,180,181,182,186,187,193,256,258,284,285,286,287,333,334,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,465,471,477,491,494,499,517,521,525,536,541,542,543,545,549,550,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,631,634,635,638,641,642,652,656,657,661,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,736,756,762,778,799,819,825,840,861 +0415_00321 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,358,359,366,367,371,372,374,375,376,377,378,379,380,382,383,385,386,387,388,390,391,393,394,397,404,406,417,418,419,428,429,431,432,435,438,439,442,443,447,448,450,451,454,461,465,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,539,540,541,542,543,545,546,547,549,550,553,556,557,561,565,566,568,571,573,574,575,577,578,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,607,608,609,614,615,619,620,621,622,627,629,631,633,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,663,665,666,667,669,675,678,679,680,681,683,684,689,690,692,700,703,704,709,710,711,715,722,736,738,743,759,762,778,785,799,801,806,822,825 +0415_00322 10,11,12,13,15,19,179,180,186,187,214,220,256,258,284,285,286,287,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,713,756,757,819,820 +0415_00323 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,335,345,346,352,353,356,357,366,371,372,375,381,385,386,391,392,407,417,418,421,428,431,435,441,442,444,447,453,461,465,471,491,517,521,525,536,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,618,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,735,756,798,819 +0415_00324 10,11,12,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00325 10,11,12,19,20,21,34,179,180,186,187,256,258,284,285,287,294,309,333,334,342,345,353,354,356,357,367,371,372,375,382,383,384,385,406,407,409,415,417,421,431,433,435,442,444,447,458,459,460,466,471,477,482,491,494,499,517,521,525,532,533,535,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,721,737,741,757,763,778,784,800,804,820,826 +0415_00326 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,376,377,378,382,383,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,646,652,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,700,709,710,711,722,736,759,785,799,822 +0415_00327 10,11,12,13,15,19,20,21,22,179,180,182,183,186,187,190,193,200,207,256,258,284,285,286,287,300,309,333,334,338,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,394,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,529,536,538,542,543,549,553,554,557,564,565,566,567,568,571,572,574,575,576,579,580,582,583,585,590,591,593,595,596,598,600,604,605,607,609,611,615,618,619,620,624,626,627,635,638,639,640,641,642,643,644,652,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,720,735,736,756,757,777,778,783,798,799,804,819,820 +0415_00328 10,11,12,19,20,21,179,180,284,285,287,309,333,334,335,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,712 +0415_00329 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,356,367,371,372,375,385,406,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00330 10,11,12,15,16,144,149,150,284,285,286,333,345,346,352,366,375,376,391,392,417,446,447,450,503,517,541,561,583,593,614,637,655,680,684,689,697 +0415_00331 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,309,333,334,341,345,347,352,353,356,357,358,359,367,371,372,377,382,385,388,391,397,404,406,407,410,417,419,421,431,432,435,437,438,440,442,443,444,447,449,450,452,454,462,465,471,473,477,483,491,493,494,495,496,498,499,503,507,517,521,525,531,536,537,539,540,542,544,547,549,550,553,554,556,557,565,566,567,571,572,574,575,576,577,579,580,582,583,585,590,593,595,596,598,600,603,604,605,608,609,613,614,615,616,618,619,620,621,624,627,629,633,634,635,638,640,641,642,643,646,656,657,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711 +0415_00332 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,345,352,353,354,356,357,358,359,371,372,375,377,378,382,384,385,388,394,396,415,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,546,547,549,550,553,554,556,557,559,560,565,571,574,575,579,580,581,583,585,593,594,596,600,601,602,604,607,608,609,619,620,622,624,625,634,635,638,639,641,644,652,653,661,665,666,669,672,674,678,679,680,684,709,726,789 +0415_00333 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,393,394,406,417,431,435,442,447,471,491,517,521,525,529,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00334 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,417,419,431,435,438,442,443,447,450,454,465,471,491,517,521,525,540,541,546,550,553,557,565,567,571,579,583,585,593,596,600,601,604,608,609,614,619,629,634,635,641,657,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00335 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0415_00336 10,11,12,15,16,19,20,116,119,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,406,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0415_00337 10,11,12,15,19,144,146,147,179,180,284,285,286,287,300,333,334,335,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,680,684,685,686,689,693,697,698,705,709,710,711,712 +0415_00338 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0415_00339 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,624,627,631,635,638,640,641,642,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00340 10,11,12,13,15,16,17,18,19,20,21,179,181,182,186,188,189,193,195,196,200,202,203,256,257,258,259,284,285,286,287,309,333,341,345,346,347,352,353,356,358,359,366,367,376,377,378,379,380,385,387,388,390,391,392,397,404,407,417,419,432,438,439,442,443,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,520,521,524,525,531,539,541,546,548,550,553,556,557,561,565,567,570,571,572,573,583,586,593,594,597,601,602,608,612,614,622,629,634,637,655,657,658,660,666,675,684 +0415_00341 10,11,12,15,16,19,179,180,284,285,286,287,300,333,339,341,345,346,352,366,375,376,391,393,394,421,452,529,541,561,583,593,614,637,644,646,647,655,680,684 +0415_00342 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,341,345,352,353,356,357,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00343 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00344 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00345 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00346 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,419,421,432,443,452,453,508,529,539,540,541,560,587,647 +0415_00347 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,421,422,432,435,438,442,443,447,450,452,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,768,831 +0415_00348 10,11,12,13,31,116,117,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00349 10,11,12,13,15,16,19,20,21,144,145,146,147,151,179,180,256,284,285,286,287,300,309,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,583,585,593,596,600,603,604,609,612,614,615,616,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,692,693,696,697,699,700,703,704,705,708,709,710,711,864 +0415_00350 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00351 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0415_00352 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,376,377,378,382,383,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,646,652,653,655,656,657,658,661,665,666,668,669,675,678,679,680,681,684,689,690,692,703,704,709,710,711,715,743,759,778,806,822 +0415_00353 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,385,411,417,418,428,429,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00354 10,11,12,15,179,180,256,284,285,286,300,333,334,341,345,352,356,357,371,372,375,377,378,385,394,417,431,435,438,442,447,450,465,471,491,517,521,525,546,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0415_00355 10,11,12,13,19,20,31,179,180,182,186,187,193,194,200,256,258,260,284,285,287,293,333,345,347,348,349,353,356,367,368,371,372,381,385,406,411,417,435,442,447,471,491,517,521,525,553,557,564,565,571,579,583,585,596,600,604,609,611,615,619,635,640,641,661,662,665,669,678,679,680 +0415_00356 10,11,12,13,15,16,34,179,180,184,185,186,187,193,256,258,284,285,286,294,333,339,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,570,571,578,579,583,585,586,587,593,596,600,601,604,608,609,612,614,619,629,634,635,641,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00357 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00358 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,756,771,780,801,819,834 +0415_00359 10,11,12,19,20,21,31,284,285,287,309,315,333,345,347,353,367,375,408,412,426,457,638 +0415_00360 10,11,12,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,345,352,353,356,357,359,360,371,372,376,380,381,385,390,399,407,417,419,421,423,431,435,439,441,442,443,444,447,451,453,465,471,487,491,494,516,517,518,521,523,525,531,536,539,549,550,553,554,556,557,565,571,574,575,577,579,580,583,585,593,596,598,600,604,608,609,618,619,620,624,634,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,714,756,777,819 +0415_00361 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00362 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0415_00363 10,11,12,19,20,21,31,179,180,186,187,256,258,284,285,287,309,315,333,342,345,353,356,371,372,382,383,385,408,412,417,426,435,442,447,457,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00364 10,11,12,13,15,19,20,21,144,150,179,180,185,186,187,193,194,200,256,258,260,284,285,286,287,300,309,333,334,338,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,406,407,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,593,595,596,598,600,601,604,605,607,608,609,615,618,619,620,621,624,627,633,634,635,638,640,641,642,644,652,654,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,687,689,690,691,692,693,697,698,699,700,701,702,704,705,709,710,711,713,715,717,738,741,756,757,778,780,801,804,819,820 +0415_00365 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0415_00366 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,580,581,583,585,590,593,594,595,596,600,604,605,607,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,644,646,647,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,687,689,690,693,696,697,698,699,700,705,708,709,710,711,713,715,736,762,778,799,825 +0415_00367 10,11,12,15,19,20,21,34,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,381,384,385,391,392,406,407,413,417,421,422,431,438,440,441,442,444,447,450,452,453,463,465,471,472,481,491,496,501,508,521,525,532,534,537,538,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,603,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0415_00368 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00369 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,335,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00370 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0415_00371 10,11,15,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,342,345,352,353,356,358,359,371,372,377,378,382,383,385,387,388,391,393,394,397,400,401,404,406,410,417,419,421,422,432,433,435,438,442,443,444,447,450,452,454,462,465,471,473,477,483,491,493,494,495,496,498,499,503,507,509,512,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,560,565,566,567,571,574,575,577,579,580,583,585,586,590,593,595,596,598,600,601,603,604,605,607,608,609,613,614,616,619,620,624,627,629,634,635,638,641,642,644,646,652,656,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,690,693,764,827 +0415_00372 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,685 +0415_00373 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00374 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00375 10,11,12,13,15,31,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,293,333,341,345,346,349,352,356,358,359,366,371,372,373,374,377,385,388,391,397,404,411,417,419,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684 +0415_00376 10,11,12,13,15,19,20,21,179,181,182,284,285,286,287,333,334,337,340,341,342,345,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,580,583,593,614,615,638,639,657,680,681,684,685,689,690,693,697,698,699,705,709,710 +0415_00377 10,11,12,15,19,179,180,256,284,285,286,287,300,333,334,345,346,352,353,356,357,366,371,372,375,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,529,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,644,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0415_00378 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00379 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00380 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,334,345,346,352,354,366,369,375,381,391,393,394,396,413,419,421,436,443,448,452,453,508,529,539,541,560,647 +0415_00381 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00382 10,11,12,13,15,19,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,333,334,340,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,386,391,393,394,406,413,417,422,431,435,442,447,471,472,477,481,491,499,501,508,514,517,521,525,529,532,533,541,542,543,549,553,557,565,566,571,574,575,579,583,585,587,590,593,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,659,661,665,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00383 10,11,12,13,15,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,293,300,333,334,341,345,349,352,356,357,371,372,377,378,385,394,411,417,431,435,438,442,447,450,465,471,491,503,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0415_00384 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00385 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,341,345,352,356,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684 +0415_00386 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00387 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0415_00388 10,11,12,15,19,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,417,419,421,431,432,433,435,438,442,443,444,447,450,454,465,471,473,483,491,494,496,503,507,517,521,524,525,528,531,536,539,540,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,657,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,697,698,705,709,710,711,759,822 +0415_00389 10,11,12,13,15,19,20,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,286,293,302,309,333,334,341,345,349,352,356,357,371,372,377,378,385,396,402,411,417,431,435,438,442,447,450,465,471,491,503,515,517,521,525,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00390 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0415_00391 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0415_00392 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,350,352,354,356,358,359,367,369,371,372,375,376,377,378,380,381,384,385,387,388,390,391,393,394,397,400,401,404,406,413,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,501,503,505,507,508,517,520,521,524,525,528,531,532,533,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,630,634,635,637,641,644,648,655,658,659,661,665,666,669,675,678,679,680,684,726,747,771,789,810,834 +0415_00393 10,11,12,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,698,699,705,709,710,711,735,798 +0415_00394 10,11,12,13,14,15,16,19,20,21,22,144,146,147,179,180,181,182,184,185,186,187,193,194,200,207,256,257,258,260,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,528,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,565,566,568,570,571,574,575,576,577,578,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,614,615,619,620,624,627,629,631,634,635,638,639,640,641,642,643,644,652,653,654,656,657,658,661,663,665,666,667,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,713,715,736,741,743,759,762,778,798,799,804,806,819,820,822,825 +0415_00395 10,11,12,13,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,293,333,345,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00396 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0415_00397 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00398 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861 +0415_00399 10,11,12,19,20,31,179,180,186,187,256,258,284,285,287,293,315,333,345,356,367,371,372,375,385,406,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00400 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,333,334,341,342,345,352,353,356,357,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,431,432,433,435,438,442,443,444,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,494,496,500,503,505,507,517,520,521,524,525,528,531,536,539,540,546,547,548,550,553,554,556,557,560,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,619,624,629,634,635,637,641,644,648,655,658,661,665,666,669,672,673,675,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,717,738,771,780,801,834 +0415_00401 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,609,614,618,619,620,635,638,641,642,656,657,661,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,777 +0415_00402 10,11,12,13,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,293,333,334,345,349,356,357,371,372,385,411,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00403 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0415_00404 10,11,12,13,19,20,31,144,147,284,285,287,293,333,345,347,348,349,353,367,368,375,381,406,411,564,568,611,615,662,663 +0415_00405 10,11,15,34,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,352,354,356,358,359,366,369,371,372,374,377,378,384,385,387,388,391,397,404,413,417,419,422,432,435,438,442,443,447,448,450,454,465,471,472,473,474,475,476,481,483,490,491,492,496,501,503,507,508,509,514,517,521,522,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00406 10,11,12,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,496,503,507,517,521,524,525,528,531,536,539,540,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,694,695,697,698,699,705,707,709,710,711,735,759,798,822 +0415_00407 10,11,12,19,31,179,180,186,187,256,258,284,285,293,315,333,345,349,356,371,372,375,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00408 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,415,419,451,454,458,469,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00409 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,380,381,385,388,390,391,392,397,398,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,462,465,471,473,483,485,486,488,491,492,494,495,496,500,503,505,507,517,520,521,522,524,525,536,537,539,540,541,546,547,548,549,550,553,554,557,561,565,567,570,571,573,574,579,581,583,585,586,593,595,596,597,600,603,604,605,608,609,612,614,615,616,619,625,629,634,635,637,639,641,655,657,658,660,661,665,667,669,673,674,675,678,679,680,684,689,697,709,710,711 +0415_00410 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,334,338,342,345,349,353,356,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,641,661,665,669,678,679,680 +0415_00411 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,701,702,705,706,709,710,711,715,778 +0415_00412 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,349,353,356,367,371,372,375,381,385,406,411,417,421,435,441,442,444,447,453,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,615,619,635,638,641,661,665,669,678,679,680 +0415_00413 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00414 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00415 10,11,12,13,14,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,200,201,256,257,258,259,260,262,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,488,491,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,714,717,735,738,756,759,771,777,780,798,801,819,822,834 +0415_00416 10,11,12,15,19,179,180,256,284,285,286,287,333,334,341,345,347,352,353,356,357,366,367,371,372,375,377,378,385,391,392,417,421,431,435,437,438,442,444,447,449,450,465,471,491,494,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,619,624,629,634,635,641,658,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0415_00417 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00418 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,435,437,441,442,444,447,449,453,491,517,525,536,541,557,564,565,567,568,572,574,580,582,583,593,600,611,614,615,616,618,620,638,639,640,641,642,643,660,661,662,663,664,665,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00419 10,11,12,15,19,179,180,186,187,256,258,284,285,286,302,309,333,334,345,346,352,356,357,366,371,372,385,391,396,417,431,435,442,447,465,471,491,515,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00420 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,336,338,339,341,342,345,346,352,353,366,375,381,391,393,394,406,407,421,441,444,452,453,529,536,537,541,560,567,580,603,613,614,618,638,644,646,647,660,709 +0415_00421 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0415_00422 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0415_00423 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,334,345,349,356,371,372,375,385,411,417,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00424 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00425 10,11,12,19,20,179,180,256,284,285,287,333,342,345,353,356,367,371,372,375,382,383,385,406,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,574,575,576,579,583,585,590,595,596,600,604,605,607,609,619,620,627,631,635,638,640,641,642,652,654,656,661,663,665,667,669,678,679,680,681,690,691,701,702,741,762,804,825 +0415_00426 10,11,12,19,20,21,31,179,180,186,187,256,258,284,285,287,309,315,333,334,345,347,353,356,357,367,371,372,385,408,412,417,426,431,435,442,447,457,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,596,600,604,609,619,620,635,638,641,642,656,661,665,669,678,679,680,681,689,690,699,709,710,711 +0415_00427 10,11,12,15,16,34,144,146,147,179,180,186,187,256,257,258,284,285,286,294,300,333,339,341,345,346,352,354,356,358,359,366,371,372,376,377,378,380,384,385,387,388,391,393,394,397,404,413,417,419,422,432,435,438,442,443,447,450,451,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,768,831 +0415_00428 10,11,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,658,661,665,666,669,678,679,680,684,768,831 +0415_00429 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00430 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0415_00431 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,336,339,341,345,346,352,356,366,371,372,375,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,709,710,729,792 +0415_00432 10,11,12,13,19,20,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,345,347,349,353,356,357,367,371,372,381,385,406,411,417,421,431,435,441,442,444,447,453,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0415_00433 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0415_00434 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,294,300,301,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,376,377,378,379,380,381,382,383,384,385,388,391,394,397,404,407,415,417,419,421,423,431,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,458,460,465,466,471,473,483,484,485,488,491,492,494,496,499,503,507,517,521,522,524,525,531,532,533,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,571,574,575,576,577,578,579,580,582,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,640,641,642,643,644,652,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,726,738,757,785,789,801,820 +0415_00435 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,759,822 +0415_00436 10,11,12,13,15,16,179,180,183,186,187,193,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,717,780 +0415_00437 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,347,353,356,367,371,372,375,385,406,411,417,435,442,447,471,477,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00438 10,11,12,13,31,179,180,186,187,193,194,256,258,260,284,285,293,333,334,336,345,349,356,371,372,375,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,709 +0415_00439 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0415_00440 10,11,12,15,16,19,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,333,341,345,346,347,352,353,354,356,358,359,366,367,371,372,376,377,378,380,384,385,387,388,391,392,397,404,406,413,417,419,422,432,435,438,442,443,447,450,451,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,567,571,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,615,616,619,629,634,635,637,641,655,657,658,660,661,665,666,669,675,678,679,680,684,768,831 +0415_00441 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,341,342,345,346,352,353,356,357,366,371,372,375,377,378,382,383,385,391,392,396,402,407,417,420,421,424,430,431,435,438,440,442,444,447,450,452,455,456,465,467,471,491,499,503,515,521,525,536,541,542,543,544,545,546,547,549,550,553,554,557,559,565,567,568,569,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,614,618,619,620,632,634,635,638,639,641,642,646,647,650,652,653,656,657,661,664,665,666,668,669,672,673,678,679,680,681,684,689,690,692,700,704,709,710,711,715,736,738,743,762,764,778,799,801,806,825,827 +0415_00442 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,632,635,638,640,641,642,643,652,654,656,661,664,665,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00443 10,11,12,13,19,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,342,345,347,349,353,356,357,367,371,372,375,382,383,385,406,411,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,615,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,709,710,711,715,778 +0415_00444 10,11,12,15,284,285,286,300,333,345,346,352,366,375,394,529,583,593,644,680,684,689,697 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10,11,12,15,19,20,144,146,147,149,150,151,179,180,256,257,258,284,285,286,287,309,333,334,336,341,342,345,346,352,353,356,357,358,359,366,371,372,377,381,385,388,391,392,397,398,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,693,696,697,698,699,705,708,709,710,711 +0415_00448 10,11,12,13,19,20,21,144,150,179,180,185,186,187,193,194,200,256,258,260,284,285,287,309,333,334,338,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,741,756,757,778,804,819,820 +0415_00449 10,11,12,13,15,19,179,180,181,182,186,256,284,285,286,287,333,334,335,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,553,557,565,567,571,579,583,585,593,596,600,604,609,614,615,616,619,635,641,657,660,661,665,669,678,679,680,684,689,697,698,709,710,711,712,713,714,777 +0415_00450 10,11,12,15,16,19,20,21,34,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,492,496,499,503,507,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,661,665,666,668,669,672,675,678,679,680,681,684,689,690,699,709,710,711,758,821 +0415_00451 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00452 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,334,336,341,345,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,709,710,711,713 +0415_00453 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,300,306,333,334,345,347,353,354,356,357,367,371,372,375,381,384,385,394,406,415,417,421,431,435,442,447,452,453,458,460,466,471,484,491,517,521,525,532,533,553,557,560,565,571,579,583,585,596,600,604,609,613,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0415_00454 10,11,12,19,20,21,34,284,285,287,309,333,345,347,353,367,375,409,459,460,583,638,680,681,689,690,697,699 +0415_00455 10,11,12,19,20,144,147,179,180,284,285,287,333,334,335,345,347,353,367,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,689,690,693,697,698,699,705,709,710,711,712 +0415_00456 10,11,12,13,31,284,285,293,333,345,349,375,411 +0415_00457 10,11,12,13,15,179,180,186,187,256,258,284,285,286,333,334,335,345,346,352,356,357,366,371,372,375,385,386,391,392,417,418,428,431,435,442,447,461,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711,713,735,756,798,819 +0415_00458 10,11,12,15,16,17,34,179,181,182,256,257,284,285,286,294,300,333,334,337,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0415_00459 10,11,12,13,19,31,179,180,186,187,193,194,200,201,256,258,260,262,284,285,287,293,333,334,345,347,349,353,356,357,367,371,372,385,406,411,417,431,435,442,447,471,491,517,521,525,549,553,557,565,571,574,575,579,583,585,595,596,600,604,605,609,615,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,689,690,699,709,710,711 +0415_00460 10,11,12,15,19,20,144,150,179,180,256,284,285,286,287,300,333,334,338,342,345,353,356,357,366,371,372,375,381,382,383,385,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,623,627,631,633,635,638,641,642,647,652,656,661,663,665,667,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0415_00461 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0415_00462 10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,184,185,186,187,193,200,256,257,258,260,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,537,539,540,541,542,543,545,546,547,549,550,553,556,557,564,565,566,568,570,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,611,612,614,619,620,627,629,631,634,635,638,641,642,644,646,647,652,656,657,658,661,662,663,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,715,736,759,762,778,799,822,825 +0415_00463 10,11,12,19,34,179,180,256,284,285,287,294,309,333,334,342,345,353,354,356,357,369,371,372,375,382,383,384,385,407,413,417,431,435,442,447,471,491,499,501,508,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0415_00464 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,615,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00465 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10,11,12,13,15,19,20,144,145,179,180,183,186,190,193,256,284,285,286,287,309,333,334,335,336,338,342,345,352,353,356,357,371,372,375,382,383,385,407,417,420,430,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,569,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,677,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0415_00468 10,11,12,13,15,16,17,19,20,21,22,31,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,301,305,309,315,333,334,336,338,339,340,341,342,345,346,347,352,353,356,358,359,366,367,371,372,374,375,376,377,378,379,380,381,382,383,385,387,388,390,391,394,397,404,406,407,408,412,417,419,420,421,423,430,432,435,438,439,441,442,443,444,447,448,450,451,453,454,462,465,468,471,473,478,483,485,486,487,488,491,492,496,497,499,500,503,505,507,516,517,518,520,521,522,524,525,529,531,536,537,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,567,568,569,570,571,572,573,574,575,577,578,579,583,585,586,593,595,596,597,600,601,604,605,607,608,609,612,614,615,616,617,618,619,620,629,634,635,638,639,640,641,642,644,645,652,655,656,657,658,660,661,663,664,665,666,667,669,675,677,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711 +0415_00469 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,333,334,336,341,345,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,717,780 +0415_00470 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,762,777,778,798,799,819,825,861 +0415_00471 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,399,404,406,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,487,488,491,494,496,500,503,505,507,516,517,518,520,521,522,523,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,613,614,618,619,620,624,625,629,634,635,637,638,639,641,642,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,714,738,756,759,771,777,801,819,822,834 +0415_00472 10,11,12,13,15,16,17,19,20,21,22,34,35,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,369,371,372,375,376,377,380,381,382,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,484,485,488,491,494,496,499,503,505,507,517,520,521,524,525,529,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,593,594,595,596,597,598,600,602,604,605,608,609,614,619,620,622,624,627,629,634,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,684,685,689,690,693,699,700,705,709,710,711,714,737,758,777,800,821 +0415_00473 10,11,12,15,19,179,180,186,187,256,258,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,391,393,394,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0415_00474 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,641,642,656,657,661,665,667,669,672,673,678,679,680,681,684,685,686,689,690,693,697,698,699,705,709,710,711,712,713,714,777 +0415_00475 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,571,579,583,585,586,593,594,596,600,601,602,604,608,609,613,614,619,629,634,635,641,644,646,658,661,665,666,669,678,679,680,684,689,709,710,711,717,750,759,780,813,822 +0415_00476 10,11,12,19,20,179,180,256,284,285,287,333,342,345,353,356,367,371,372,375,382,383,385,406,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,682,690,720,783 +0415_00477 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0415_00478 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0415_00479 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,341,345,347,352,353,356,357,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,553,557,565,567,571,572,579,583,585,593,596,600,604,609,618,619,635,638,640,641,644,661,665,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,714,777 +0415_00480 10,11,12,15,16,17,34,116,117,179,181,182,256,257,284,285,286,294,300,333,334,337,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,451,454,474,476,485,488,490,505,520,529,541,561,573,597,614,637,644,655 +0415_00481 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0415_00482 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0415_00483 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,376,385,391,393,394,417,421,431,435,442,447,452,465,471,491,517,521,525,529,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,644,646,647,655,661,665,669,678,679,680,684,689,709,710,711 +0415_00484 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0415_00485 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,582,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,615,618,619,620,621,624,626,627,629,633,634,635,638,640,641,642,643,644,646,647,652,656,657,658,661,665,666,667,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,703,705,706,709,710,711,714,736,757,759,777,799,820,822 +0415_00486 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00487 10,11,12,13,14,15,19,20,21,22,144,145,148,151,179,182,183,186,189,193,284,285,286,287,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,541,554,557,564,567,568,580,582,583,593,600,611,614,615,616,638,640,641,643,660,661,662,663,672,673,679,680,681,682,683,685,689,690,691,693,694,695,697,698,699,700,701,702,705,707,709,710,711,713,841,861 +0415_00488 10,11,12,15,19,179,181,182,284,285,286,302,309,333,334,337,341,345,352,375,391,396,515,583,593,614,657,680,684,689,698,709,710 +0415_00489 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0415_00490 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0415_00491 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0415_00492 10,11,12,13,15,19,179,181,182,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,391,392,406,541,567,583,593,614,615,616,657,660,680,684,689,697 +0415_00493 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00494 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,333,334,335,336,342,345,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00495 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,186,187,256,258,284,285,286,287,294,300,309,333,334,339,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,381,382,383,385,386,391,392,393,394,406,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,477,490,491,494,499,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,565,566,567,570,571,574,575,579,580,581,582,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,612,614,615,618,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,659,660,661,665,667,669,672,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,715,735,736,756,757,778,798,799,819,820 +0415_00496 10,11,12,15,19,20,21,179,180,256,284,285,286,287,302,309,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,396,402,406,407,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,494,499,503,515,517,521,525,536,542,543,544,546,547,549,550,553,554,557,559,565,567,571,574,575,579,580,583,585,588,591,593,595,596,598,600,601,604,605,607,608,609,615,618,619,620,624,634,635,638,641,642,650,652,656,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,738,764,778,801,827 +0415_00497 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,491,496,503,517,521,525,546,547,550,553,557,560,565,568,571,579,583,585,586,593,596,600,601,604,608,609,613,614,615,619,629,634,635,641,644,646,658,661,663,665,666,669,678,679,680,684,689,709,710,711,717,780 +0415_00498 10,11,12,13,15,16,19,20,179,180,181,182,184,185,186,187,193,200,256,284,285,286,287,333,334,336,339,341,345,346,352,353,356,357,366,371,372,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,541,550,553,557,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711,713,756,819 +0415_00499 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0415_00500 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,707,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0415_00501 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,334,345,349,356,357,371,372,385,411,417,426,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00502 10,11,12,15,16,116,117,179,180,181,182,186,256,257,258,284,285,286,300,333,334,336,341,345,352,356,358,359,371,372,375,376,377,378,380,385,388,390,391,393,394,397,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,488,491,496,503,505,507,517,520,521,524,525,531,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,709,710 +0415_00503 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412 +0415_00504 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0415_00505 10,11,12,13,15,16,19,20,21,179,180,184,185,186,256,284,285,286,287,300,302,333,334,336,341,345,352,353,356,357,367,371,372,375,377,378,381,385,391,393,394,396,402,406,417,421,424,431,435,438,441,442,444,447,450,453,455,456,465,471,491,503,515,517,521,525,536,546,547,550,553,554,557,559,565,571,574,579,580,583,585,593,595,596,600,601,604,608,609,619,620,634,635,638,641,644,657,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,704,705,708,709,710,711,713,759,822 +0415_00506 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,619,620,624,627,631,635,638,641,642,652,656,661,663,665,667,669,672,673,678,679,680,681,684,685,687,689,690,692,693,694,697,698,699,700,703,704,705,706,709,710,711,715,736,762,778,799,825 +0415_00507 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0415_00508 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0415_00509 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00510 10,11,12,19,20,21,179,180,256,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,582,583,585,589,590,595,596,600,604,605,607,609,619,620,627,635,638,640,641,642,643,652,656,661,665,667,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0415_00511 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00512 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0415_00513 10,11,12,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0415_00514 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,342,345,353,356,371,372,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,668,669,678,679,680,681,682,690,720,783 +0415_00515 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,409,417,421,431,433,435,442,444,447,459,460,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00516 10,11,12,15,19,20,21,179,180,186,187,256,258,284,285,286,287,302,309,333,334,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,421,424,431,433,435,438,442,444,447,450,455,456,465,471,491,494,499,503,515,517,521,525,536,542,543,544,545,546,547,549,550,553,554,557,559,565,567,568,571,574,575,579,580,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,632,634,635,638,639,641,642,650,652,653,656,661,664,665,666,668,669,672,673,678,679,680,681,684,685,686,687,689,690,692,693,694,697,698,699,700,704,705,706,709,710,711,714,715,736,738,743,762,764,777,778,799,801,806,825,827 +0415_00517 10,11,12,19,31,284,285,293,315,333,345,349,375,411,426 +0415_00518 10,11,12,13,19,20,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,442,444,461,491,525,536,557,580,583,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00519 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0415_00520 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00521 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,537,541,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,603,604,605,607,608,609,614,619,620,624,627,635,638,641,642,652,656,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,705,706,709,710,711,715,778 +0415_00522 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0415_00523 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,335,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,549,550,553,557,565,566,567,568,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,616,619,620,621,627,629,633,634,635,638,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00524 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00525 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +0415_00526 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00527 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,334,345,349,356,357,371,372,385,411,417,426,431,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0415_00528 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00529 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,615,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00530 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00531 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10,11,12,13,15,16,17,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,333,341,345,347,352,353,354,356,367,371,372,375,376,377,378,381,384,385,391,393,394,406,413,417,419,421,435,438,440,442,444,447,450,451,452,453,454,463,465,471,488,491,496,501,503,508,517,520,521,525,532,533,538,546,547,548,550,553,557,560,561,565,567,570,571,579,583,585,586,587,593,596,600,601,604,606,608,609,612,614,616,619,629,630,634,635,637,641,644,646,648,657,658,659,660,661,665,666,669,678,679,680,684,726,747,771,789,810,834 +0415_00563 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0415_00564 10,11,12,15,34,179,180,184,185,186,187,193,256,258,284,285,286,294,300,333,341,345,352,354,356,371,372,377,378,384,385,391,393,394,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,546,547,550,553,557,565,571,578,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,659,661,665,666,669,678,679,680,684,768,831 +0415_00565 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,333,334,341,342,345,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,396,406,417,419,421,431,432,435,440,442,443,444,447,452,471,477,491,499,517,521,525,529,536,539,541,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,684,685,689,690,692,693,694,697,699,700,703,705,709,710,711,713,714,736,756,757,777,799,819,820 +0415_00566 10,11,12,13,19,20,144,145,179,180,183,186,187,193,194,200,256,258,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,664,665,667,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0415_00567 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00568 10,11,12,13,15,19,20,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,465,471,491,517,521,525,536,537,541,550,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,615,616,619,629,634,635,638,641,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0415_00569 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,345,347,352,353,356,357,367,371,372,375,381,385,406,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,595,596,600,604,609,615,619,620,635,641,661,665,667,669,672,678,679,680,689,697,698,709,710,711 +0415_00570 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,345,352,353,356,357,371,372,381,385,407,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,596,600,604,609,618,619,620,635,641,661,665,668,669,672,678,679,680,689,697,698,709,710,711 +0415_00571 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,580,583,600,606,615,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0415_00572 10,11,12,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,333,341,345,350,352,354,356,358,359,369,371,372,375,377,378,384,385,387,388,391,397,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,768,831 +0415_00573 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 +0415_00574 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,309,333,334,336,340,342,345,347,352,353,356,357,367,371,372,375,381,385,406,407,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,572,574,579,583,585,595,596,600,604,609,615,618,619,620,635,638,641,661,665,667,669,672,678,679,680,681,689,690,691,697,698,701,702,709,710,711 +0415_00575 10,11,12,15,16,19,34,35,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,306,333,341,345,346,347,352,353,354,356,358,359,366,367,371,372,377,378,384,385,387,388,391,397,404,406,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,480,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,615,616,619,629,634,635,641,657,658,660,661,665,666,669,678,679,680,684,768,831 +0415_00576 10,11,12,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,738,764,778,801,827 +0415_00577 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,712,713,722,738,750,757,764,785,801,813,820,827 +0415_00578 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,638 +0415_00579 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00580 10,11,12,19,20,21,31,284,285,287,315,333,334,336,345,347,353,367,375,408,412 +0415_00581 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,342,345,353,356,371,372,382,383,385,408,412,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690 +0415_00582 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,315,333,334,345,353,356,357,371,372,375,385,411,417,421,426,431,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,619,624,635,641,661,665,669,672,678,679,680,685,689,693,697,698,705,709,710,711,713,714,735,756,777,798,819 +0415_00583 10,11,12,13,15,16,19,179,180,186,187,193,194,256,258,284,285,286,287,300,333,334,339,341,345,346,352,356,357,366,371,372,376,385,391,392,393,394,417,421,431,435,442,447,452,465,471,491,517,521,525,529,541,550,553,557,561,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,637,641,644,646,647,655,657,661,665,669,678,679,680,684,689,709,710,711 +0415_00584 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,302,315,333,341,342,345,347,352,353,356,367,371,372,375,377,378,382,383,385,396,402,408,412,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,546,547,549,550,553,557,559,565,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,652,656,661,665,666,669,678,679,680,681,683,684,690,722,785 +0415_00585 10,11,12,19,20,144,148,179,180,186,187,256,258,284,285,287,333,334,336,342,345,353,356,357,371,372,385,417,421,431,433,435,442,444,447,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,589,596,598,600,604,609,619,624,635,641,661,665,669,672,673,678,679,680,685,688,689,693,697,698,705,709,710,711,713,756,819,840,861 +0415_00586 10,11,12,13,19,20,31,284,285,293,309,315,333,334,335,336,345,349,375,411,412,426,457,583,709,710,712 +0415_00587 10,11,12,13,31,34,179,180,186,187,193,194,256,258,260,284,285,293,333,345,356,371,372,385,411,417,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00588 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,333,334,336,341,345,347,352,353,356,358,359,360,367,371,372,375,376,377,380,382,385,388,390,391,397,404,408,412,417,419,432,435,438,439,442,443,447,450,451,454,465,473,483,485,488,491,496,499,503,505,507,520,524,525,531,539,540,542,543,546,547,549,550,556,557,561,571,573,574,575,586,593,594,597,600,601,602,607,614,620,622,629,634,637,638,639,652,653,655,657,658,666,675 +0415_00589 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,333,334,345,347,353,356,357,367,371,372,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,568,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,663,665,667,669,672,673,678,679,680,681,685,689,690,693,699,700,705,709,710,711,714,777 +0415_00590 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,418,428,429,431,435,442,447,461,471,477,491,499,517,521,525,542,543,549,553,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0415_00591 10,11,12,13,15,16,179,180,186,187,193,194,256,258,260,284,285,286,300,333,341,345,352,356,371,372,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,729,792 +0415_00592 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,541,546,547,549,550,553,554,557,565,570,571,574,575,579,580,583,585,586,593,595,596,598,600,601,604,605,608,609,612,613,614,615,619,620,624,629,634,635,638,641,642,646,647,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,738,801 +0415_00593 10,11,12,13,19,20,21,31,284,285,287,315,333,345,347,353,367,375,406,408,412,568,615,638,663 +0415_00594 10,11,12,13,15,19,20,144,148,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,336,341,342,345,352,353,356,357,358,359,371,372,377,378,382,383,385,386,387,388,391,397,404,407,417,419,421,431,432,433,435,438,442,443,444,447,450,454,462,465,471,473,483,491,494,496,498,499,503,507,517,521,524,525,531,536,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,589,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,629,634,635,638,641,642,652,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,683,684,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,756,759,819,822,840,861 +0415_00595 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,418,421,428,429,431,433,435,441,442,444,447,453,461,491,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0415_00596 10,11,12,13,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00597 10,11,12,19,20,21,34,284,285,287,309,333,345,347,353,367,375,409,459,460,583,638,680,681,689,690,697,699 +0415_00598 10,11,12,13,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,441,444,453,536,541,567,568,572,580,583,615,638,640,660,663,664,680,681,685,689,690,693,697,699,705 +0415_00599 10,11,12,13,15,179,180,256,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,550,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,629,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0415_00600 10,11,12,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,341,342,345,352,353,356,357,358,359,371,372,375,377,378,382,383,385,387,388,407,417,419,423,431,432,435,438,442,443,447,450,465,468,471,478,486,491,499,500,503,516,517,521,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,645,652,656,661,665,666,668,669,678,679,680,681,684,689,690,709,710,711,715,738,764,771,778,801,827,834 +0415_00601 10,11,12,13,15,19,20,21,22,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,407,408,412,421,426,441,444,453,457,536,541,567,568,580,583,615,618,638,640,660,663,680,681,685,689,690,691,693,694,695,697,699,701,705 +0415_00602 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,517,521,525,537,542,543,544,546,547,549,550,553,557,565,566,567,570,571,574,575,579,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,627,629,633,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,709,710,711,759,764,822,827 +0415_00603 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 +0415_00604 10,11,12,15,19,34,179,180,256,284,285,286,287,294,333,334,345,346,350,352,354,356,357,366,369,371,372,375,385,391,392,413,417,421,431,435,442,447,452,471,490,491,508,517,521,525,541,553,557,565,571,579,583,585,587,596,600,604,609,614,619,635,641,646,647,657,661,665,669,678,679,680,689,709,710,711 +0415_00605 10,11,12,13,15,19,34,179,180,186,187,193,194,256,258,260,284,285,286,287,294,333,334,341,342,345,352,353,356,357,366,371,372,375,377,378,382,383,385,386,391,392,406,417,422,431,435,438,442,447,450,465,471,477,491,496,499,503,509,517,521,525,541,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,627,629,634,635,638,641,642,652,656,658,661,665,666,667,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,715,736,738,756,778,799,801,819 +0415_00606 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0415_00607 10,11,12,13,19,20,21,22,31,32,179,180,186,187,193,194,200,201,207,208,256,258,260,262,284,285,287,315,333,342,345,353,356,371,372,382,383,385,408,412,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,596,600,604,607,609,619,620,635,638,640,641,642,652,654,656,661,665,669,678,679,680,681,690,691,702,741,804 +0415_00608 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,342,345,353,356,357,371,372,375,382,383,385,408,412,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711,715,778 +0415_00609 10,11,12,13,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0415_00610 10,11,12,13,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00611 10,11,12,13,19,20,116,117,144,148,284,285,287,333,334,335,336,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,574,580,582,583,595,600,615,620,638,641,643,661,667,672,679,680,681,685,689,690,697,709,710,711,712,713 +0415_00612 10,11,12,13,15,19,20,34,179,183,284,285,286,287,294,302,309,333,334,336,341,342,345,347,350,352,353,354,367,369,375,396,407,413,417,419,421,431,432,433,442,443,444,491,499,508,525,536,539,540,554,556,557,580,583,587,618,638,641,659,661,672,679,680,681,685,689,690,693,694,697,698,699,709,710,711 +0415_00613 10,11,12,13,14,15,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,517,525,529,536,541,557,564,565,567,568,572,574,580,582,583,593,595,600,611,614,615,616,618,620,638,640,641,642,643,644,646,647,657,660,661,662,663,664,665,667,668,679,680,681,682,683,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0415_00614 10,11,12,15,16,19,20,21,179,180,256,284,285,286,300,302,333,334,339,341,345,346,352,356,357,366,371,372,375,377,378,385,391,393,394,396,402,417,424,431,435,438,442,447,450,455,456,465,471,491,496,503,515,521,525,529,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,634,635,641,644,649,657,658,661,665,666,669,678,679,680,684,689,697,709,710,711,713,717,738,750,756,759,771,780,801,813,819,822,834 +0415_00615 10,11,12,13,14,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00616 10,11,12,13,19,20,21,31,179,180,186,187,256,258,284,285,287,315,333,334,336,342,345,347,353,356,367,371,372,375,382,383,385,408,412,417,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,709,710,711 +0415_00617 10,11,12,13,14,31,284,285,293,333,345,349,375,411,583,680,689,697 +0415_00618 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0415_00619 10,11,12,13,19,20,179,180,183,186,187,193,256,258,284,285,287,309,333,334,335,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0415_00620 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,333,334,336,345,347,352,353,356,357,367,371,372,375,381,385,406,417,420,421,430,431,435,441,442,444,447,453,467,471,491,517,521,525,536,553,554,557,565,569,571,574,579,583,585,595,596,600,604,609,615,619,620,635,638,641,661,665,667,669,672,678,679,680,681,689,690,697,698,709,710,711 +0415_00621 10,11,12,13,14,19,20,21,22,31,32,179,180,186,187,193,194,200,201,207,208,256,258,260,262,284,285,287,315,333,334,335,342,345,353,356,357,371,372,375,382,383,385,408,412,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0415_00622 10,11,12,13,19,20,21,179,180,256,284,285,287,333,334,345,347,353,356,357,367,371,372,375,381,385,406,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,595,596,598,600,604,605,609,615,619,620,624,635,638,641,642,656,661,665,667,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0415_00623 10,11,12,13,19,20,21,31,179,180,186,187,193,194,256,258,260,284,285,287,315,333,334,336,342,345,353,356,357,371,372,375,382,383,385,408,412,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,689,690,697,698,700,709,710,711,713,715,778 +0415_00624 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0415_00625 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,309,333,334,335,341,342,345,352,353,356,357,358,359,371,372,375,377,378,382,383,385,387,388,407,417,419,423,431,432,435,438,442,443,447,450,465,468,471,478,486,491,499,500,503,516,517,521,524,525,531,539,540,542,543,544,546,547,548,549,550,553,556,557,565,567,570,571,574,575,577,579,583,585,588,591,593,596,600,601,604,607,608,609,618,619,620,634,635,638,641,642,645,652,656,661,665,666,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,738,764,771,778,801,827,834 +0415_00626 10,11,12,13,14,19,20,21,22,144,147,151,154,158,161,179,182,186,189,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0415_00627 10,11,12,13,14,19,20,21,22,144,147,151,154,158,161,179,182,186,189,193,196,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711 +0415_00628 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0415_00629 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00630 10,11,12,15,16,19,179,180,186,187,284,285,286,287,300,333,339,341,345,346,352,366,376,391,393,394,421,452,529,541,561,583,593,614,637,644,646,647,655,680,684 +0415_00631 10,11,12,15,284,285,286,345,346,352,366,375,391,392,541,657 +0415_00632 10,11,12,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,341,345,352,356,371,372,376,377,378,385,391,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684 +0415_00633 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00634 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00635 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00636 10,11,12,19,20,21,284,285,287,345,347,353,367,375,406,568,615,663 +0415_00637 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,614,657 +0415_00638 10,11,15,19,144,146,147,284,285,286,287,333,345,346,352,353,366,375,391,392,421,440,444,452,536,541,580,593,614,646,647,657,686 +0415_00639 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00640 10,11,12,13,14,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00641 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00642 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00643 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,684 +0415_00644 10,11,15,19,116,119,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,391,392,406,541,567,614,616,639,660 +0415_00645 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00646 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,680,684,689,697 +0415_00647 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00648 10,11,12,15,19,284,285,286,287,333,345,352,353,366,375,391,392,421,440,444,452,536,541,580,583,593,614,647,680,684,685,689,693,697,705 +0415_00649 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00650 10,11,12,15,284,285,286,333,345,346,352,366,375,391,392,541,593,614,657 +0415_00651 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00652 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00653 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,302,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,396,406,417,431,435,442,447,471,491,515,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0415_00654 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684 +0415_00655 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689 +0415_00656 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,417,435,442,447,491,517,525,541,557,583,593,600,614,641,661,679,680,684,689,697 +0415_00657 10,11,12,31,284,285,293,333,334,345,375,411 +0415_00658 10,11,12,13,14,19,20,21,22,23,144,145,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,441,442,444,447,453,491,536,557,564,568,572,574,580,583,595,600,611,615,618,638,640,641,662,663,664,667,680,681,682,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,712,713,777,778,798,799,819,840,841 +0415_00659 10,11,12,13,14,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,680,684,689,697 +0415_00660 10,11,12,15,19,144,146,147,284,285,286,287,333,345,346,352,353,366,375,391,392,421,440,444,452,536,541,580,583,593,614,646,647,657,680,684,686,689,697 +0415_00661 10,11,12,13,15,284,285,286,333,345,346,352,366,375,391,392,541,583,593,614,657,684 +0415_00662 10,11,12,19,31,179,180,186,187,256,258,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00663 10,11,12,13,19,20,31,34,179,180,186,187,193,194,256,258,260,284,285,293,294,333,345,349,350,354,356,369,371,372,385,411,415,417,435,442,447,458,459,460,466,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0415_00664 10,11,12,13,19,20,31,179,180,186,187,193,194,256,258,260,284,285,287,293,333,345,349,353,356,371,372,381,385,411,417,421,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,685 +0415_00665 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0415_00666 10,11,15,19,20,284,285,286,287,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,541,567,615,616,660 +0415_00667 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 diff --git a/processed_data/0415/0415_gradient.tsv b/processed_data/0415/0415_gradient.tsv new file mode 100644 index 000000000..838feb7e6 --- /dev/null +++ b/processed_data/0415/0415_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 98 2 +1 0.3 98 2 +2 0.3 80 20 +16.5 0.3 2 98 +22 0.3 2 98 diff --git a/processed_data/0415/0415_info.tsv b/processed_data/0415/0415_info.tsv new file mode 100644 index 000000000..d9ec3989f --- /dev/null +++ b/processed_data/0415/0415_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0415 10.1016/j.chroma.2015.11.014 Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes ROASMI_83 diff --git a/processed_data/0415/0415_metadata.tsv b/processed_data/0415/0415_metadata.tsv new file mode 100644 index 000000000..f2214ed05 --- /dev/null +++ b/processed_data/0415/0415_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0415 Agilent ZORBAX Eclipse Plus C18 L1 150 2.1 3.5 40 0.3 1.1025 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98 2 0 0 2 98 0 0 diff --git a/processed_data/0415/0415_report_canonical.pdf b/processed_data/0415/0415_report_canonical.pdf new file mode 100644 index 000000000..f69a522e4 Binary files /dev/null and b/processed_data/0415/0415_report_canonical.pdf differ diff --git a/processed_data/0415/0415_report_isomeric.pdf b/processed_data/0415/0415_report_isomeric.pdf new file mode 100644 index 000000000..14a71df1a Binary files /dev/null and b/processed_data/0415/0415_report_isomeric.pdf differ diff --git a/processed_data/0415/0415_rtdata_canonical_success.tsv b/processed_data/0415/0415_rtdata_canonical_success.tsv new file mode 100644 index 000000000..2b28cf02c --- /dev/null +++ b/processed_data/0415/0415_rtdata_canonical_success.tsv @@ -0,0 +1,668 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0415_00001 C6H13NO2 2.357 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00002 C8H19N 6.9 CCCCCCCCN InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 IOQPZZOEVPZRBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00003 C10H13NO2 7.622 CCOC1=CC=C(C=C1)NC(=O)C InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) CPJSUEIXXCENMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00004 C7H8N4O2 4.936 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00005 C8H10N4O2 5.509 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00006 C7H8N4O2 5.242 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00007 C7H8N4O2 5.064 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00008 C9H10O5 5.696 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00009 C16H12O7 9.418 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0415_00010 C16H12O4 10.093 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0415_00011 C13H10O 12.61 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H RWCCWEUUXYIKHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00012 C7H6O3 5.62 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0415_00013 C7H6O2 7.56 C1=CC=C(C=C1)C(=O)O InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00014 C7H6O3 7.886 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00015 C6H8O7 2.078 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0415_00016 C6H10O4 5.22 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0415_00017 C5H4N4O3 2.079 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00018 C15H10O4 11.048 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0415_00019 C9H6O4 5.732 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0415_00020 C15H10O4 7.744 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0415_00021 C15H12O5 9.18 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0415_00022 C15H14O5 8.766 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0415_00023 C5H4N4O2 2.43 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00024 C2H4N4 1.218 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0415_00025 C7H15NO4S 1.291 C1COCCN1CCCS(=O)(=O)O InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) DVLFYONBTKHTER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0415_00026 H3NO3S 1.3 NS(=O)(=O)O InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) IIACRCGMVDHOTQ-UHFFFAOYSA-N Inorganic compounds (CHEMONTID:0000001) Homogeneous non-metal compounds (CHEMONTID:0000423) Other non-metal organides (CHEMONTID:0000453) Other non-metal oxides (CHEMONTID:0000554) NA (NA) NA (NA) +0415_00027 C6H12N2 1.341 CCN1CN(C=C1)C InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3 IBZJNLWLRUHZIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00028 C4H11N5 1.521 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0415_00029 C10H13N4O8P 2.062 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0415_00030 C21H27N7O14P2 2.094 C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37) BAWFJGJZGIEFAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0415_00031 C8H11NO3 2.11 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0415_00032 C8H12N5O4P 2.12 C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) SUPKOOSCJHTBAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0415_00033 C7H10N2 2.138 CC1=C(C=C(C=C1)N)N InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 VOZKAJLKRJDJLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Aminotoluenes (CHEMONTID:0003964) Diaminotoluenes (CHEMONTID:0003965) +0415_00034 C11H23NO2 2.162 CC1(CC(CC(N1CCO)(C)C)O)C InChI=1S/C11H23NO2/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13/h9,13-14H,5-8H2,1-4H3 STEYNUVPFMIUOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00035 C10H14N5O6P 2.173 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19) KHWCHTKSEGGWEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0415_00036 C7H7NO3 2.181 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0415_00037 C9H13N5O4 2.235 C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) IRSCQMHQWWYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00038 C5H9N5O 2.315 CCNC1=NC(=O)NC(=N1)N InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11) XRVCXZWINJOORX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0415_00039 C6H7N5O 2.342 CN1C(=O)C2=C(N=CN2)N=C1N InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9) RFLVMTUMFYRZCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) 6-oxopurines (CHEMONTID:0001505) +0415_00040 C6H7N5 2.36 CN1C=NC2=C(C1=N)NC=N2 InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9) SATCOUWSAZBIJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00041 C6H6N4O2 2.378 CN1C=NC2=C1NC(=O)NC2=O InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12) DHNIKYWYTSMDDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00042 C6H7N5O 2.43 CN1C=NC2=C1N=C(NC2=O)N InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12) UUWJNBOCAPUTBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00043 C8H9N3O4S 2.456 C1C(OC(S1)C(=O)O)N2C=CC(=NC2=O)N InChI=1S/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14) PIIRVEZNDVLYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) NA (NA) NA (NA) NA (NA) +0415_00044 C5H4N4 2.566 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00045 C10H15N5O3 2.597 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00046 C6H10N2O2 2.615 C1CC(=O)N(C1)CC(=O)N InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9) GMZVRMREEHBGGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00047 C5H5N5S 2.689 C1=NC2=C(N1)C(=S)N=C(N2)N InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) WYWHKKSPHMUBEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinethiones (CHEMONTID:0001998) NA (NA) +0415_00048 C9H13NO2 2.73 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0415_00049 C9H14N5O4P 2.771 CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17) SGOIRFVFHAKUTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0415_00050 C9H17NO 2.824 CC1(CC(=O)CC(N1)(C)C)C InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3 JWUXJYZVKZKLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) NA (NA) NA (NA) +0415_00051 C9H14N 2.831 C[N+](C)(C)C1=CC=CC=C1 InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1 ZNEOHLHCKGUAEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00052 C5H4N4O2 2.85 C1=NNC2=C1C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) HXNFUBHNUDHIGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00053 C8H9N5O4 2.92 C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N InChI=1S/C8H9N5O4/c9-8-11-6-5(7(16)12-8)10-2-13(6)3-17-1-4(14)15/h2H,1,3H2,(H,14,15)(H3,9,11,12,16) MICNQLKUSOVNNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00054 C13H22N4O4S 2.941 CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 SKHXRNHSZTXSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00055 C6H7O3P 3.086 C1=CC=C(C=C1)P(=O)(O)O InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) QLZHNIAADXEJJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00056 C8H11N3O3S 3.105 C1C(OC(S1)CO)N2C=CC(=NC2=O)N InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13) JTEGQNOMFQHVDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) 3'-thia pyrimidine nucleosides (CHEMONTID:0003746) NA (NA) NA (NA) +0415_00057 C8H13N5O3 3.123 C1=NC2=C(N1COCCO)NC(=NC2O)N InChI=1S/C8H13N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,7,14-15H,1-2,4H2,(H3,9,11,12) UKLIQLMEFHFGAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00058 C10H13N5O5 3.148 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00059 C5H4N4O 3.149 C1=NNC2=C1C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrazolopyrimidines (CHEMONTID:0000305) Pyrazolo[3,4-d]pyrimidines (CHEMONTID:0004387) NA (NA) NA (NA) +0415_00060 C10H13N5O4 3.196 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00061 C14H22N2O4 3.214 CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O InChI=1S/C14H22N2O4/c1-9(2)16-7-11(17)8-20-12-5-3-10(4-6-12)13(18)14(15)19/h3-6,9,11,13,16-18H,7-8H2,1-2H3,(H2,15,19) GSZUNNBDULASMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00062 C5H6N2O2 3.227 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0415_00063 C10H13N5O3 3.397 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13) OLXZPDWKRNYJJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00064 C6H7O4P 3.47 C1=CC=C(C=C1)OP(=O)(O)O InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CMPQUABWPXYYSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphomonoesters (CHEMONTID:0004617) +0415_00065 C5H8N2O2 3.47 CC1(C(=O)NC(=O)N1)C InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9) YIROYDNZEPTFOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00066 C6H6O2 3.674 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0415_00067 C5H4N4OS 4.02 C1=NC2=C(N1)C(=S)NC(=O)N2 InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11) RJOXFJDOUQJOMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) NA (NA) +0415_00068 C8H11NO 4.073 CN(C)C1=CC(=CC=C1)O InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3 MESJRHHDBDCQTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00069 C10H13N5O4 4.09 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00070 C4H5NO4S 4.125 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0415_00071 C10H12N4O4 4.181 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) VGONTNSXDCQUGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00072 C9H15N 4.236 CCCCN1CC=CC=C1 InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8H,2-3,7,9H2,1H3 GDCCFQMGFUZVKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) NA (NA) +0415_00073 C6H9NOS 4.251 CC1=C(SC=N1)CCO InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 BKAWJIRCKVUVED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 4,5-disubstituted thiazoles (CHEMONTID:0002636) NA (NA) +0415_00074 C9H20N 4.267 CCCC[N+]1(CCCC1)C InChI=1S/C9H20N/c1-3-4-7-10(2)8-5-6-9-10/h3-9H2,1-2H3/q+1 PXELHGDYRQLRQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00075 C8H10N2O2 4.291 COC(=O)NC1=CC=CC(=C1)N InChI=1S/C8H10N2O2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3,(H,10,11) ACQVQJHUIZBTTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00076 C10H12N4O5 4.313 C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18) KFQUAMTWOJHPEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrazolo[3,4-d]pyrimidine glycosides (CHEMONTID:0003750) NA (NA) NA (NA) NA (NA) +0415_00077 C10H12N4O6 4.346 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00078 C9H10N2 4.346 C1CN=C(N1)C2=CC=CC=C2 InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) BKCCAYLNRIRKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00079 C4H6N2O 4.412 CC1=CC(=NO1)N InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6) FKPXGNGUVSHWQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidolactams (CHEMONTID:0003886) NA (NA) NA (NA) NA (NA) +0415_00080 C9H13N 4.419 CN(C)CC1=CC=CC=C1 InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 XXBDWLFCJWSEKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00081 C9H12N2O2 4.424 CC1=C(C=CC=C1NC(=O)OC)N InChI=1S/C9H12N2O2/c1-6-7(10)4-3-5-8(6)11-9(12)13-2/h3-5H,10H2,1-2H3,(H,11,12) VYRAHTPNSYEFTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00082 C6H6N4O2 4.437 CN1C=NC2=C1C(=O)NC(=O)N2 InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) PFWLFWPASULGAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00083 C9H10N2O3 4.455 CC(=O)NC1=CC(=CC(=C1)N)C(=O)O InChI=1S/C9H10N2O3/c1-5(12)11-8-3-6(9(13)14)2-7(10)4-8/h2-4H,10H2,1H3,(H,11,12)(H,13,14) SETVYNZSWPLKAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Acylaminobenzoic acid and derivatives (CHEMONTID:0004361) NA (NA) +0415_00084 C10H16N 4.459 C[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1 YOUGRGFIHBUKRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00085 C8H9NO3 4.471 CC(=O)NC1=CC(=C(C=C1)O)O InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10) IPFBMHOMTSBTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00086 C6H10N6O 4.473 CN(C)N=NC1=C(NC=N1)C(=O)N InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9) FDKXTQMXEQVLRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) 2-heteroaryl carboxamides (CHEMONTID:0004817) +0415_00087 C24H34N8O4S2 4.48 CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30) GFEGEDUIIYDMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0415_00088 C12H17NO2 4.49 CC1=CC(=O)N(C(=C1)C2CCCCC2)O InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3 SCKYRAXSEDYPSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Pyridinones (CHEMONTID:0001160) NA (NA) +0415_00089 C4H10NO3PS 4.502 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0415_00090 C6H6N4O2 4.502 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00091 C10H14N2O5 4.533 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0415_00092 C12H19NO3 4.546 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0415_00093 C12H17N5O5 4.565 CN(C)C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21) RSPURTUNRHNVGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00094 C14H17NO8 4.58 CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21) IPROLSVTVHAQLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0415_00095 C12H20N2O3S 4.583 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0415_00096 C6H9NO3 4.583 COC(=O)C1CCC(=O)N1 InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8) HQGPKMSGXAUKHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00097 C7H10N4O2 4.607 CCOC(=O)C1=CN=C(N=C1N)N InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11) MANFWSKJPOXKJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0415_00098 C10H12N2 4.619 C1CN=C(N1)CC2=CC=CC=C2 InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12) JIVZKJJQOZQXQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00099 C14H22N2O3 4.619 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00100 C4H11O3P 4.628 CC(C)(C)P(=O)(O)O InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7) OGDSVONAYZTTDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0415_00101 C10H22N 4.656 CCCC[N+]1(CCCCC1)C InChI=1S/C10H22N/c1-3-4-8-11(2)9-6-5-7-10-11/h3-10H2,1-2H3/q+1 UVCPHBWNKAXVPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00102 C6H9N3O2 4.656 COC1=NC(=NC(=C1)N)OC InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9) LNTJJKHTAZFVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0415_00103 C14H9NO2 4.656 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) IYRYQBAAHMBIFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0415_00104 C26H50N4O2 4.674 CC1(CC(CC(N1)(C)C)N(CCCCCCN(C=O)C2CC(NC(C2)(C)C)(C)C)C=O)C InChI=1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)27-23)29(19-31)13-11-9-10-12-14-30(20-32)22-17-25(5,6)28-26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3 UONLDZHKYCFZRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00105 C9H13N5 4.675 CC1=CC=CC=C1N=C(N)N=C(N)N InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14) SQZCAOHYQSOZCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) NA (NA) NA (NA) +0415_00106 C13H21NO3 4.69 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0415_00107 C6H6N2O3 4.692 C1=CC(=C(C=C1N)[N+](=O)[O-])O InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2 WHODQVWERNSQEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0415_00108 C10H20N2O 4.698 CC(=C)C(=NCCC[N+](C)(C)C)[O-] InChI=1S/C10H20N2O/c1-9(2)10(13)11-7-6-8-12(3,4)5/h1,6-8H2,2-5H3 VZTGWJFIMGVKSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00109 C16H19N3O5S 4.706 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24) LSQZJLSUYDQPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0415_00110 C13H17N3O 4.71 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 RMMXTBMQSGEXHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00111 C8H10N4O2 4.729 CN1C=NC2=C1N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 LPHGQDQBBGAPDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00112 C9H18N2 4.733 CCCCN1C=CN(C1C)C InChI=1S/C9H18N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-9H,4-6H2,1-3H3 TYOCDPIZUIQUSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00113 C9H13NO2 4.753 C1=CC=C(C=C1)OCC(CN)O InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2 JZEHWMUIAKALDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00114 C12H20N4O3S 4.769 CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3 WZLBVRXZNDXPPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00115 C4H11O3P 4.77 CCCCP(=O)(O)O InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) UOKRBSXOBUKDGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0415_00116 C11H13N3O 4.783 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00117 C13H16N4O3 4.783 COC1=CC(=CC(=C1O)OC)CC2=CN=C(N=C2N)N InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) HPOCGNHBIFZCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00118 C11H15N5O3S 4.785 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0415_00119 C7H7N3 4.787 C1=CC=C2C(=C1)NC(=N2)N InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00120 C10H14N2O3 4.802 COCCOC(=O)NC1=CC=CC(=C1)N InChI=1S/C10H14N2O3/c1-14-5-6-15-10(13)12-9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13) ZBYDMKPFQILQOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00121 C6H9N3O3 4.808 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0415_00122 C12H15N3O 4.819 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3 JILCEWWZTBBOFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00123 C9H19N 4.823 CC1(CCCC(N1)(C)C)C InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3 RKMGAJGJIURJSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00124 C13H22N4O3S 4.832 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00125 C9H19NO2 4.84 CC(C)CC(CC(=O)O)CNC InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12) MADUVMLGQASXOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00126 C15H24N2O4S 4.856 CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18) JTVPZMFULRWINT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0415_00127 C9H12N2O2 4.863 CCOC(=O)NC1=CC=C(C=C1)N InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12) SABZQUOBNXDLDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00128 C18H34N2O6S 4.875 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00129 C9H17NO2 4.875 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00130 C7H7NO2 4.893 C1=CC=C(C=C1)C(=O)NO InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9) VDEUYMSGMPQMIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0415_00131 C14H21NO4 4.893 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00132 C13H17NO2 4.91 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00133 C12H19N3O 4.911 CC(C)NC(=O)C1=CC=C(C=C1)CNNC InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16) CPTBDICYNRMXFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00134 C6H7N5S 4.912 CSC1=NC(=NC2=C1NC=N2)N InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) YEGKYFQLKYGHAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0415_00135 C11H14N2 4.93 CN1CN(C=C1)CC2=CC=CC=C2 InChI=1S/C11H14N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3 MNYOKDIIUJDYBM-UHFFFAOYSA-N +0415_00136 C15H23N3O4S 4.958 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00137 C10H12N2 4.966 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0415_00138 C13H16N4O2 4.966 COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) LDBTVAXGKYIFHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0415_00139 C3H9O4P 4.966 COP(=O)(OC)OC InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 WVLBCYQITXONBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00140 C20H22N8O5 4.984 CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27) FBOZXECLQNJBKD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0415_00141 C11H12N2S 5.021 C1CSC2=NC(CN21)C3=CC=CC=C3 InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 HLFSDGLLUJUHTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazothiazoles (CHEMONTID:0000756) NA (NA) NA (NA) NA (NA) +0415_00142 C13H16N4O3 5.021 COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) HWBPOLWLLFXEJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00143 C8H9NO2 5.022 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0415_00144 C13H10N2O3S 5.039 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18) UVCJGUGAGLDPAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00145 C7H9O3P 5.039 C1=CC=C(C=C1)CP(=O)(O)O InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) OGBVRMYSNSKIEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00146 C6H10N2O2 5.057 CC1(C(=O)NC(=O)N1C)C InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10) ZNYIPTYJBRGSSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00147 C18H19NO3 5.057 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4 InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3 XYYVYLMBEZUESM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00148 C15H25NO4 5.057 CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3 OFRYBPCSEMMZHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00149 C6H13NO3S 5.069 C1CCC(CC1)NS(=O)(=O)O InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) HCAJEUSONLESMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfamic acid derivatives (CHEMONTID:0000039) Cyclamates (CHEMONTID:0000365) NA (NA) NA (NA) +0415_00150 C9H9N3O2 5.075 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00151 C10H14N2O2 5.082 CCOC(=O)NC1=CC=CC(=C1C)N InChI=1S/C10H14N2O2/c1-3-14-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13) CUARKGNESAJPQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00152 C13H22N 5.094 CC[N+](CC)(CC)CC1=CC=CC=C1 InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1 VBQDSLGFSUGBBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00153 C14H18N6O 5.094 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19) MCGSCOLBFJQGHM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) Cyclopentyl nucleosides (CHEMONTID:0003738) 1,3-substituted cyclopentyl nucleosides (CHEMONTID:0003740) 1,3-substituted cyclopentyl purine nucleosides (CHEMONTID:0003718) +0415_00154 C14H23NO3 5.112 CC(C)NCC(COC1=CC=C(C=C1)CCO)O InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3 CUKXSBOAIJILRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00155 C14H18N4O3 5.112 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00156 C17H27NO4 5.13 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3 VWPOSFSPZNDTMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0415_00157 C8H14N2O2 5.137 CCC(C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12) HPHUVLMMVZITSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00158 C10H17N 5.148 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00159 C14H20N2O2 5.148 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0415_00160 C6H15OP 5.148 CCP(=O)(CC)CC InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3 ZSSWXNPRLJLCDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) Organophosphine oxides (CHEMONTID:0001309) NA (NA) NA (NA) +0415_00161 C12H9N3 5.155 C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3 InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15) BOUOQESVDURNSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00162 C9H10N2S 5.162 CC(C1=NC2=CC=CC=C2S1)N InChI=1S/C9H10N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3 LXVJOKQWUUSEEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00163 C11H11N 5.162 CC1=CC2=C(C=C1)N=C(C=C2)C InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3 JJPSZKIOGBRMHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) NA (NA) NA (NA) NA (NA) +0415_00164 C8H17NO2 5.167 CC(C)CC(CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) AYXYPKUFHZROOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00165 C21H31N3O5 5.185 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00166 C14H16N6O2 5.194 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)C(=O)O InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19) OCSMNHMMTKMVCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) NA (NA) NA (NA) NA (NA) +0415_00167 C7H5NO3S 5.195 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00168 C10H7N3S 5.203 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00169 C12H11N7 5.203 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0415_00170 C11H12N2O4 5.221 CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C InChI=1S/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17) GEDTXYBZWNEYAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Acylaminobenzoic acid and derivatives (CHEMONTID:0004361) NA (NA) +0415_00171 C10H10N4O2S 5.24 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00172 C6H5N3O 5.24 C1=CC=C2C(=C1)N=NN2O InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H ASOKPJOREAFHNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00173 C13H13N3O3 5.24 C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18) GOTYRUGSSMKFNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0415_00174 C22H24N2O9 5.276 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) OWFJMIVZYSDULZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00175 C13H11N3 5.276 C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)N InChI=1S/C13H11N3/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,14H2,(H,15,16) PVNHYDDCQMHWAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00176 C6H5N3O 5.337 C1=CC2=NNN=C2C(=C1)O InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9) JMTMSDXUXJISAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00177 C14H22N 5.349 CC[N+](CC)(CC=C)CC1=CC=CC=C1 InChI=1S/C14H22N/c1-4-12-15(5-2,6-3)13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3/q+1 MLOZIWKXHDXCDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00178 C12H18N2O 5.349 CCNCC(=O)NC1=C(C=CC=C1C)C InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15) WRMRXPASUROZGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00179 C9H9N3O2S2 5.367 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00180 C16H19N3O4S 5.367 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00181 C16H25NO2 5.367 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 KYYIDSXMWOZKMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0415_00182 C9H7N7O2S 5.367 CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13) LMEKQMALGUDUQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) Diarylthioethers (CHEMONTID:0003864) NA (NA) +0415_00183 C18H19NO4 5.367 CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3 YYCRAERBSFHMPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00184 C8H6N2O2 5.386 C1=CC=C2C(=C1)C(=O)NC(=O)N2 InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) SDQJTWBNWQABLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0415_00185 C15H23NO2 5.386 CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3 UWJUQVWARXYRCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0415_00186 C7H8O3S 5.399 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0415_00187 C12H18N 5.404 C[N+](C)(C)CC1=CC=C(C=C1)C=C InChI=1S/C12H18N/c1-5-11-6-8-12(9-7-11)10-13(2,3)4/h5-9H,1,10H2,2-4H3/q+1 WIKAJTNLVCYEQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00188 C14H23NO3 5.422 CCNCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C14H23NO3/c1-3-15-10-13(16)11-18-14-6-4-12(5-7-14)8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3 HYRRKPFGZHWUPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00189 C14H18N4O4 5.43 COC1=CC(=CC(=C1OC)OC)CC2=C(N=C(NC2=O)N)N InChI=1S/C14H18N4O4/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)17-14(16)18-13(8)19/h5-6H,4H2,1-3H3,(H5,15,16,17,18,19) FYJKTYLNKCUCLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00190 C17H19N3 5.459 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0415_00191 C22H24N2O8 5.46 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) NWXMGUDVXFXRIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00192 C7H7NO3 5.477 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00193 C13H24N4O3S 5.513 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00194 C11H11N3O2S 5.55 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00195 C17H27N3O4S 5.568 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0415_00196 C22H24N2O9 5.586 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31) OWFJMIVZYSDULZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00197 C13H15N3O2 5.586 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17) OIAGWXKSCXPNNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00198 C15H18N4O5 5.588 CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22) NWIBSHFKIJFRCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolequinones (CHEMONTID:0000390) Mitomycins, mitosane and mitosene derivatives (CHEMONTID:0004096) Mitomycins (CHEMONTID:0000391) +0415_00199 C9H9NO3 5.59 CC(=O)NC1=CC=C(C=C1)C(=O)O InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) QCXJEYYXVJIFCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00200 C16H25N3O4S 5.619 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2O)N)S(=O)(=O)CC InChI=1S/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21) XBIBUXBARDPHCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00201 C15H15NO4 5.619 C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19) KKCIOUWDFWQUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00202 C12H14N2S 5.623 C1CC(CNC1)C2=NC3=CC=CC=C3S2 InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2 PXPKASSSZWCUJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00203 C12H13N3O2 5.623 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00204 C15H23NO 5.641 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3 JLICHNCFTLFZJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0415_00205 C16H19NO4 5.641 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0415_00206 C7H7NO 5.641 C1=CC=C(C=C1)C(=O)N InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00207 C14H24N2O4 5.65 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19) NENPYTRHICXVCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00208 C15H23NO2 5.659 CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3 MMSWXJSQCAEDLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0415_00209 C11H14N4O4S 5.666 CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3 ZDRFDHHANOYUTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00210 C8H9NO2 5.683 CC(=O)NC1=CC(=CC=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10) QLNWXBAGRTUKKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00211 C9H19NO2 5.696 CC1(CC(CC(N1O)(C)C)O)C InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3 CSGAUKGQUCHWDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00212 C8H13NO3 5.699 CCC(C(=O)O)N1CCCC1=O InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12) IODGAONBTQRGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00213 C10H20N2 5.732 CCCCCCN1CN(C=C1)C InChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3 WGVGZVWOOMIJRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00214 C17H17N3O4S 5.75 CC1=C(C(=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OC)C(=O)O)OC InChI=1S/C17H17N3O4S/c1-9-14(18-7-11(16(21)22)15(9)24-3)8-25-17-19-12-5-4-10(23-2)6-13(12)20-17/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22) BNOSHBGSJBEMGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00215 C14H18N2O5 5.761 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0415_00216 C11H12N4O2S 5.769 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00217 C14H22N2O 5.769 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0415_00218 C43H74N2O14 5.771 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3 ACTOXUHEUCPTEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00219 C13H9N 5.776 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H DZBUGLKDJFMEHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0415_00220 C11H10N4O4 5.823 COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16) OVGGLBAWFMIPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0415_00221 C16H20N4O4S 5.824 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22) WCYVLAMJCQZUCR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0415_00222 C18H24N2O5 5.842 CC(C(=O)C1CCCN1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O InChI=1S/C18H24N2O5/c1-12(16(21)15-8-5-11-20(15)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25) VPHZAKHKNGOIBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00223 C14H16N4O4 5.86 COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N InChI=1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18) GAAPPIKAFNZRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00224 C6H5N3 5.876 C1=CC2=NNN=C2C=C1 InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) QRUDEWIWKLJBPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00225 C8H9NO2 5.896 C1=CC=C(C=C1)NC(=O)CO InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11) PJFNNMFXEVADGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00226 C10H13N5O4 5.902 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18) HBOMLICNUCNMMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2',3'-dideoxyribonucleosides (CHEMONTID:0002182) NA (NA) NA (NA) +0415_00227 C13H10N2 5.903 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15) DWYHDSLIWMUSOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00228 C20H26N4O2 5.915 C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) OQLKNTOKMBVBKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00229 C18H28N2O4 5.965 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00230 C12H22N6OP 5.969 CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1 InChI=1S/C12H22N6OP/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18/h7-10H,1-6H3/q+1 RROBIDXNTUAHFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00231 C17H23NO 5.969 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3 JAQUASYNZVUNQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00232 C9H17N5O 5.981 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0415_00233 C14H15N 5.997 C1=CC=C(C=C1)CNCC2=CC=CC=C2 InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 BWLUMTFWVZZZND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00234 C14H12N2 6.061 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16) YJSWQFYMPODDTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00235 C14H22N2O2 6.079 CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3 XSVMFMHYUFZWBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0415_00236 C12H14N4O2S 6.115 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00237 C10H9N3O 6.124 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14) OUSYWCQYMPDAEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0415_00238 C16H20N 6.134 C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2 InChI=1S/C16H20N/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1 LNIYNESXCOYFPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00239 C29H31N7O 6.152 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Benzanilides (CHEMONTID:0004713) +0415_00240 C16H17N3O2S 6.17 CC1=CNC(=C(C1=O)C)CSC2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)20)8-22-16-18-12-5-4-11(21-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19) LVUFHVGKGMRSQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00241 C20H23NO4 6.207 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3 MFXFQKMUCYHPFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00242 C16H25NO2 6.207 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00243 C13H10N2O 6.225 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15) XWXMGTIHBYFTIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00244 C8H6N4O5 6.225 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14) NXFQHRVNIOXGAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00245 C14H12N2O 6.225 COC1=CC=CC=C1C2=NC3=CC=CC=C3N2 InChI=1S/C14H12N2O/c1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2-9H,1H3,(H,15,16) JNFBDHNAZPBWTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00246 C7H5NOS 6.233 C1=CC=C2C(=C1)C(=O)NS2 InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) DMSMPAJRVJJAGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00247 C15H23NO2 6.246 CNCC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3 VUMQHLSPUAFKKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00248 C38H72N2O12 6.249 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00249 C11H12N2O 6.261 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00250 C15H23NO2 6.316 COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3 SUQHIQRIIBKNOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00251 C16H25NO3 6.334 C[N+](C)(CC1CCCCC1(C2=CC(=CC=C2)OC)O)[O-] InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 HBXKSXMNNGHBEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00252 C12H14N2O2 6.353 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0415_00253 C13H20N4O3 6.425 CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3 NSMXQKNUPPXBRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00254 C16H25NO2 6.444 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00255 C17H19N3O3S 6.462 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0415_00256 C30H56N2O4 6.48 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3 RSOILICUEWXSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00257 C22H24N2O8 6.499 CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31) SGKRLCUYIXIAHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00258 C7H5NO3S2 6.5 C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11) ZCXGMSGCBDSEOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00259 C9H11NO2 6.508 CC(=O)NC1=CC=C(C=C1)OC InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) XVAIDCNLVLTVFM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00260 C15H15N3 6.517 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C15H15N3/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15/h3-10H,1-2H3,(H,16,17) ZKBBGUJBGLTNEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00261 C20H33N3O4 6.532 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00262 C28H52N2O4 6.572 CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3 XITRBUPOXXBIJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00263 C15H13N3O3S 6.579 COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) BEZZFPOZAYTVHN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00264 C9H11NO2 6.608 CC(C(=O)NC1=CC=CC=C1)O InChI=1S/C9H11NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12) NXHFPNVCAZMTSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00265 C17H27NO2 6.626 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00266 C18H21NO 6.644 C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 ZMISODWVFHHWNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00267 C12H21N 6.653 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00268 C12H15N3O3 6.663 CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) RAOCRURYZCVHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00269 C15H14N2O3 6.663 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20) PRGQOPPDPVELEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00270 C8H9NO 6.742 CC(=O)NC1=CC=CC=C1 InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) FZERHIULMFGESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00271 C21H19O2P 6.754 C1=CC=C(C=C1)[P+](CCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2 FLYPZWDELZKIOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00272 C10H13NO2 6.763 CC(C(=O)N(C)C1=CC=CC=C1)O InChI=1S/C10H13NO2/c1-8(12)10(13)11(2)9-6-4-3-5-7-9/h3-8,12H,1-2H3 YOZNZNZSJNNALS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00273 C13H19NO5S 6.763 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18) RVSCDWJKJDBFRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00274 C10H11N3O4S 6.772 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13) MJAMPGKHIZXVFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00275 C13H18N4O3 6.772 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00276 C10H10N4O 6.783 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0415_00277 C11H12N2O2 6.827 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)O InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3 SKVPTPMWXJSBTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00278 C25H27N9O8S2 6.855 CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41) GCFBRXLSHGKWDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0415_00279 C18H22N2O2 6.882 CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3 BQXQGZPYHWWCEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0415_00280 C7H8O2 6.955 COC1=CC=C(C=C1)O InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 NWVVVBRKAWDGAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00281 C12H17NO2 6.973 CCN(CC)C(=O)C1=CC=CC(=C1)CO InChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11-7-5-6-10(8-11)9-14/h5-8,14H,3-4,9H2,1-2H3 FRZJZRVZZNTMAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00282 C7H7N3 7.021 CC1=CC2=NNN=C2C=C1 InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) LRUDIIUSNGCQKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00283 C12H19NO5S2 7.036 CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17) YMYKMSAZEZQEER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0415_00284 C16H19N3O6 7.046 CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22) HYFMSAFINFJTFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolequinones (CHEMONTID:0000390) Mitomycins, mitosane and mitosene derivatives (CHEMONTID:0004096) NA (NA) +0415_00285 C27H29NO11 7.064 CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3 AOJJSUZBOXZQNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Anthracyclines (CHEMONTID:0002106) NA (NA) NA (NA) NA (NA) +0415_00286 C18H29NO3 7.064 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00287 C12H10N4O2 7.067 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0415_00288 C37H36N2O9S3 7.077 CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-] InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48) CTRXDTYTAAKVSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) Phenylbenzamines (CHEMONTID:0004204) NA (NA) +0415_00289 C12H14N4O4S 7.083 COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) PJSFRIWCGOHTNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00290 C10H8O3S 7.09 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) KVBGVZZKJNLNJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0415_00291 C9H8O3 7.099 CC(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12) QBHDSQZASIBAAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00292 C8H19OP 7.101 CC(C)(C)[P+](=O)C(C)(C)C InChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1 QQSIRURWBGEHFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) NA (NA) NA (NA) NA (NA) NA (NA) +0415_00293 C20H20OP 7.101 C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1 VQNQTIUCMJTZGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00294 C17H22NO 7.137 C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2 InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1 AVWWVJUMXRXPNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00295 C15H14N2O2 7.19 C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) BMPDWHIDQYTSHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00296 C19H18P 7.192 C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1 AZFQCTBZOPUVOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00297 C22H21O2P 7.192 C1=CC=C(C=C1)[P+](CCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H21O2P/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2 WFPBWVIGMPXUGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00298 C12H11O2P 7.24 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)O InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14) BEQVQKJCLJBTKZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00299 C23H29N3O 7.242 C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2 YNZFUWZUGRBMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00300 C17H27NO3 7.246 C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 LASJEFFANGIOGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00301 C10H11N3O3S 7.246 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00302 C15H12N2O3 7.265 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20) XEEDURHPFVXALT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00303 C21H20OP 7.28 CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H20OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3/q+1 JNNWBCPZJMSRRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00304 C22H30N6O4S 7.283 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00305 C15H14N4O 7.301 CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) NQDJXKOVJZTUJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00306 C12H18O7 7.352 CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14) FWCBATIDXGJRMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0415_00307 C16H21NO2 7.356 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00308 C24H26N6O3 7.356 CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29) VTRAEEWXHOVJFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00309 C12H15NO3 7.356 CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O InChI=1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16) PXXLQQDIFVPNMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00310 C13H11N3O4S2 7.356 CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18) LZNWYQJJBLGYLT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00311 C9H11NO2 7.374 CC(=O)NC1=CC=CC=C1OC InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11) FGOFNVXHDGQVBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00312 C20H20P 7.392 CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1 GELSOTNVVKOYAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00313 C10H19N5O 7.392 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) ISEUFVQQFVOBCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Alkoxy-S-triazines (CHEMONTID:0004638) 2-methoxy-1,3,5-triazines (CHEMONTID:0004731) +0415_00314 C9H13NO2 7.402 C1CCC2(CC1)CC(=O)NC2=O InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12) BBZBYWMNNPPFKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0415_00315 C6H15O4P 7.406 CCOP(=O)(OCC)OCC InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 DQWPFSLDHJDLRL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00316 C12H12NOP 7.411 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14) RIGIWEGXTTUCIQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00317 C25H30NO3 7.411 C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1 OYYDSUSKLWTMMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00318 C12H13N3O4S 7.411 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15) GXPIUNZCALHVBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00319 C16H24N2O 7.429 CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) WYWIFABBXFUGLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) Xylenols (CHEMONTID:0004212) NA (NA) +0415_00320 C24H29NO3 7.429 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Benzylpiperidines (CHEMONTID:0003087) N-benzylpiperidines (CHEMONTID:0002622) NA (NA) +0415_00321 C22H23N3O4 7.429 COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) AAKJLRGGTJKAMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) Quinazolinamines (CHEMONTID:0002314) +0415_00322 C19H21NO 7.447 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0415_00323 C21H23NO2 7.447 CC(C)(C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24) DSPCPJFHUUUMEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00324 C15H26N 7.465 CCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C15H26N/c1-4-5-6-10-13-16(2,3)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1 OCRHPUCRAFNCMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00325 C14H12O6S 7.476 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) CXVGEDCSTKKODG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00326 C15H12N2O2 7.476 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19) VPZIYMMSJFWLSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00327 C27H29NO11 7.492 CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3 AOJJSUZBOXZQNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Anthracyclines (CHEMONTID:0002106) NA (NA) NA (NA) NA (NA) +0415_00328 C9H14O4 7.493 C1CCC(CC1)(CC(=O)O)C(=O)O InChI=1S/C9H14O4/c10-7(11)6-9(8(12)13)4-2-1-3-5-9/h1-6H2,(H,10,11)(H,12,13) SDAXMMUAZRUWNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0415_00329 C20H20OP 7.502 COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1 SDMCZCALYDCRBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00330 C12H24N2 7.538 CCCCCCCCN1CN(C=C1)C InChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3 KTUWFYALZIAAGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00331 C10H9NO2 7.557 C1=CC=C(C=C1)C2=NC(=CO2)CO InChI=1S/C10H9NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2 FSDBXQYHHCUEIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Oxazoles (CHEMONTID:0000083) Phenyl-1,3-oxazoles (CHEMONTID:0004342) NA (NA) +0415_00332 C11H13N3O3S 7.557 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00333 C16H19NO 7.557 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3 AGSLYHYWLYGAOU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00334 C21H28N2O 7.575 CC[N+](CC)(CC1=CC=CC=C1)CC(=NC2=C(C=CC=C2C)C)[O-] InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3 ZFQMTVNLDNXRNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00335 C8H8O3 7.587 COC(=O)C1=CC=C(C=C1)O InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 LXCFILQKKLGQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0415_00336 C15H12N2O2 7.593 C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18) ZRWWEEVEIOGMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00337 C9H15NO 7.593 C1CCC2(CC1)CC(=O)NC2 InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) JAWPQJDOQPSNIQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0415_00338 C16H20N4O3S 7.633 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0415_00339 C10H12O5 7.633 COC1=CC(=CC(=C1OC)OC)C(=O)O InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) SJSOFNCYXJUNBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00340 C24H40N8O4 7.666 C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 IZEKFCXSFNUWAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00341 C9H18N2O 7.696 CCNC(=O)NC1CCCCC1 InChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12) BBUVNFZPAAVCSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0415_00342 C9H11NO 7.709 CC1=CC=C(C=C1)NC(=O)C InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) YICAMJWHIUMFDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00343 C21H22P 7.721 CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H22P/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1 PXIMQGSMXJFQOF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00344 C17H21NO 7.721 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00345 C21H20O2P 7.721 COC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H20O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1 WAUPCPBLQVSZQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00346 C7H14N2O2S 7.75 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0415_00347 C7H5NOS 7.776 C1=CC=C2C(=C1)NC(=O)S2 InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YEDUAINPPJYDJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00348 C21H20P 7.786 C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C21H20P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1 UMOWYCSSGJQQHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00349 C23H32N2O5 7.849 CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28) HDACQVRGBOVJII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00350 C37H67NO13 7.852 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00351 C8H8O3 7.88 COC(=O)C1=CC(=CC=C1)O InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3 YKUCHDXIBAQWSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) m-Hydroxybenzoic acid esters (CHEMONTID:0004699) +0415_00352 C15H12N2O2 7.917 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19) QQCFBZCATDIWTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00353 C21H18P 7.928 C#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H18P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2/q+1 GNEAAXYJEIDVFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00354 C9H13N 7.958 CCC1=CC=CC(=C1N)C InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3 JJVKJJNCIILLRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Aminotoluenes (CHEMONTID:0003964) NA (NA) +0415_00355 C24H26O2P 7.976 C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H26O2P/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24/h1-9,11-16,24H,10,17-20H2/q+1 MQHXAEFTZWVNDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00356 C17H20N2S 7.995 CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 PWWVAXIEGOYWEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00357 C22H22O2P 8 CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H22O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1 BDBCCQWLFKVQRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00358 C8H9N3 8.012 CC1=CC2=NNN=C2C=C1C InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11) MVPKIPGHRNIOPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00359 C8H19O4P 8.013 CCCCOP(=O)(O)OCCCC InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10) JYFHYPJRHGVZDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0415_00360 C14H10N4O2 8.027 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) USAWIVMZUYOXCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00361 C23H24O2P 8.086 CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H24O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1 RCMRLMJSJGLGEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00362 C12H14N4O4S 8.09 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00363 C12H11O4P 8.14 C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2 InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14) ASMQGLCHMVWBQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphodiesters (CHEMONTID:0004618) +0415_00364 C20H13NO5 8.159 C1=CC2=C(C=C1N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2 GZAJOEGTZDUSKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0415_00365 C46H77NO17 8.178 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00366 C30H53N3O6 8.2 CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35) UXOWGYHJODZGMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0415_00367 C12H17NO4S 8.208 CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16) HOYCASTVMCEOTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00368 C13H18O3 8.21 CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15) UJHKVYPPCJBOSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00369 C21H28O6 8.232 CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CO)O InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3 NISVZEWKUNUGQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00370 C15H23NO5S 8.247 CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) CIGKZVUEZXGYSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00371 C7H5NOS 8.264 C1=CC=C2C(=C1)NC(=S)O2 InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10) FLFWJIBUZQARMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxazoles (CHEMONTID:0000302) NA (NA) NA (NA) NA (NA) +0415_00372 C24H26O2P 8.303 COC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-26-24(25)19-11-12-20-27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1 NESMDKFCXPKLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00373 C21H30O5 8.323 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00374 C15H22N2O6 8.323 CC1=C(C=C(C=C1)NC(=O)OCCOC)NC(=O)OCCOC InChI=1S/C15H22N2O6/c1-11-4-5-12(16-14(18)22-8-6-20-2)10-13(11)17-15(19)23-9-7-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18)(H,17,19) KRAWNIRAZIFPLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00375 C24H21NP 8.341 C1=CC=C(C=C1)[P+](CC2=CC=CC=N2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1 KAYCSCULGYYNFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00376 C21H39NO4 8.341 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3 OTCWVYFQGYOYJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Fatty acid methyl esters (CHEMONTID:0003417) NA (NA) +0415_00377 C10H13NO 8.341 CCNC(=O)C1=CC=CC(=C1)C InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12) FPINATACRXASTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00378 C13H10O5 8.373 C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H WXNRYSGJLQFHBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00379 C21H28O5 8.396 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00380 C7H14N2O2S 8.404 CC(C)(C=NOC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0415_00381 C21H28O5 8.432 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00382 C18H19NOS 8.432 CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3 ZEUITGRIYCTCEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00383 C25H23NP 8.432 C1=CC=C(C=C1)[P+](CC2=CC=CC=C2N)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H23NP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20,26H2/q+1 ZWVVKPCCLZHUDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00384 C21H26O5 8.469 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00385 C8H9NO2 8.469 COC(=O)NC1=CC=CC=C1 InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) IAGUPODHENSJEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00386 C13H16O4 8.483 CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17) DIVLBIVDYADZPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00387 C13H12O3 8.5 CC(C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16) XWJUDDGELKXYNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthols and derivatives (CHEMONTID:0002441) NA (NA) NA (NA) +0415_00388 C13H9NO 8.5 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15) FZEYVTFCMJSGMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) Acridones (CHEMONTID:0001811) +0415_00389 C25H22NO2P 8.524 C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)N(O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H22NO2P/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20H2 MWQXAEMGVXFAFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00390 C27H38N2O4 8.542 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0415_00391 C8H8O2 8.542 CC1=CC=C(C=C1)C(=O)O InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) LPNBBFKOUUSUDB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00392 C12H15N3O2S 8.546 CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) HXHWSAZORRCQMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00393 C8H8O2 8.59 CC1=CC(=CC=C1)C(=O)O InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) GPSDUZXPYCFOSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00394 C33H40N2O9 8.6 COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3 QEVHRUUCFGRFIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0415_00395 C24H20P 8.633 C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 USFPINLPPFWTJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00396 C23H36O7 8.636 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) TUZYXOIXSAXUGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0415_00397 C9H17N5S 8.651 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00398 C18H22O3 8.67 CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3 WPOCIZJTELRQMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00399 C14H15O2P 8.67 COCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3 OEPKDBQOTLDTNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00400 C16H13N3O3 8.672 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) OPXLLQIJSORQAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00401 C32H39NO4 8.7 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) RWTNPBWLLIMQHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00402 C25H22P 8.706 C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1 BNQRPLGZFADFGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00403 C20H23N 8.708 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0415_00404 C16H34O2P 8.761 CCCC[P+](CCCC)(CCCC)CC1OCCO1 InChI=1S/C16H34O2P/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16/h16H,4-15H2,1-3H3/q+1 UZFMTNNVUZWLQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxolanes (CHEMONTID:0000105) 1,3-dioxolanes (CHEMONTID:0001316) NA (NA) NA (NA) +0415_00405 C7H5NS 8.779 C1=CC=C2C(=C1)N=CS2 InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H IOJUPLGTWVMSFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00406 C14H9NO3 8.816 C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)O InChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18) BATAOFZEDHPRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) Acridones (CHEMONTID:0001811) +0415_00407 C14H15OP 8.816 CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3 AKTGKEBIBGSCLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00408 C10H19N5OS 8.816 CCNC1=NC(=NC(=N1)S(=O)C)NC(C)(C)C InChI=1S/C10H19N5OS/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)17(5)16/h6H2,1-5H3,(H2,11,12,13,14,15) LMUNBZZRYCNYLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0415_00409 C14H16N2O2 8.832 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 NPUKDXXFDDZOKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0415_00410 C24H26O2P 8.834 CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/q+1 FAAWALIHTWKRML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00411 C9H10O3 8.834 CCOC(=O)C1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 NUVBSKCKDOMJSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0415_00412 C24H26O2P 8.85 CC(=O)OCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-21(25)26-19-11-12-20-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3/q+1 UGDNEIBQZNPTEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00413 C22H24P 8.852 CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H24P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q+1 BEVHTMLFDWFAQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00414 C38H69NO13 8.861 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00415 C33H30N4O2 8.861 CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) RMMXLENWKUUMAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00416 C9H11NO 8.87 CN(C)C1=CC=C(C=C1)C=O InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 BGNGWHSBYQYVRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0415_00417 C15H12N2O 8.87 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00418 C42H69NO15 8.874 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3 XJSFLOJWULLJQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00419 C14H15NO 8.957 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)O InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2 GXELTROTKVKZBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00420 C10H19NO4 8.999 CC(C)C(C(=O)O)NC(=O)OC(C)(C)C InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13) SZXBQTSZISFIAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00421 C22H30O5 9.016 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00422 C13H18N2O2 9.016 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0415_00423 C23H24P 9.017 CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C InChI=1S/C23H24P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19H2,1-2H3/q+1 COVAQAPAQWRPGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00424 C17H30N 9.034 CCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1 SHFLYPPECXRCFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00425 C9H12O3 9.034 COC1=C(C(=CC=C1)OC)OC InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 CRUILBNAQILVHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00426 C14H15O4P 9.053 C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16) HDFFVHSMHLDSLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0415_00427 C13H16N2S 9.082 C1CCC(CC1)NC2=NC3=CC=CC=C3S2 InChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2,(H,14,15) UPWPIFMHSFSVLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00428 C7H5NS2 9.12 C1=CC=C2C(=C1)NC(=S)S2 InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YXIWHUQXZSMYRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00429 C19H34N 9.126 CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1 InChI=1S/C19H34N/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19/h10-14H,4-9,15-18H2,1-3H3/q+1 QSRFYFHZPSGRQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00430 C15H12N2O2 9.176 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00431 C18H24N2 9.189 CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3 ZZMVLMVFYMGSMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) Phenylalkylamines (CHEMONTID:0003924) +0415_00432 C27H24O2P 9.196 C1=CC=C(C=C1)COC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C27H24O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1 LFNHHHWATWJWMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00433 C6H4N2O5 9.209 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0415_00434 C18H14N4O5S 9.217 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25) NCEXYHBECQHGNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azobenzenes (CHEMONTID:0003370) NA (NA) NA (NA) NA (NA) +0415_00435 C15H14N2O 9.235 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18) PHNLCHMJDSSPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00436 C23H26N2 9.29 CN(C)C1C=CC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C=C1 InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,21H,1-4H3 GWSFLQARDQTLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00437 C22H22OP 9.296 CCOC(=C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1 JIZMJWKMHIWDGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00438 C23H26P 9.314 CC(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H26P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3/q+1 QKMNVQGPFDVZTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00439 C25H28N6O 9.345 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00440 C11H12N2OS 9.363 C1COCCN1C2=NC3=CC=CC=C3S2 InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2 VVUVJGRVEYHIHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00441 C14H15N3O5 9.381 CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3 JRURYQJSLYLRLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) NA (NA) NA (NA) +0415_00442 C13H10O4 9.396 C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H HTQNYBBTZSBWKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00443 C27H26OP 9.454 CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C27H26OP/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3/q+1 QCMHSYZNHGLMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00444 C12H27N 9.472 CCCCCCCCCCCCN InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 JRBPAEWTRLWTQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00445 C21H26N2S2 9.472 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00446 C11H15NO3 9.472 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00447 C15H13NO3 9.499 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00448 C20H12O5 9.527 C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H GNBHRKFJIUUOQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0415_00449 C20H33NO 9.527 CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3 RYAUSSKQMZRMAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00450 C15H13N3O4S 9.527 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) QYSPLQLAKJAUJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0415_00451 C10H19N5S 9.527 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00452 C14H18N2O 9.545 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 PXWLVJLKJGVOKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00453 C10H13NO4S 9.545 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12) DFWQXANLGSXMKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00454 C8H18O4S 9.588 CCCCCCCCOS(=O)(=O)O InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11) UZZYXUGECOQHPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0415_00455 C9H14O2 9.655 C1CCC2(CC1)CC(=O)OC2 InChI=1S/C9H14O2/c10-8-6-9(7-11-8)4-2-1-3-5-9/h1-7H2 CKICBBJJCUQLPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0415_00456 C16H36P 9.655 CCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1 BJQWBACJIAKDTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00457 C21H25N 9.655 CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21 InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3 DOMXUEMWDBAQBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00458 C10H19N5S 9.673 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00459 C28H28OP 9.728 C1=CC=C(C=C1)COCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C28H28OP/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21H,13,22-24H2/q+1 DHCHUVTYDKANGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00460 C12H15NO3 9.746 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0415_00461 C10H11N3OS 9.783 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00462 C22H19N3O4 9.801 CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3 WOXKDUGGOYFFRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0415_00463 C8H10OS 9.802 CC1=C(C=CC(=C1)O)SC InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3 VKALYYFVKBXHTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Cresols (CHEMONTID:0001272) Meta cresols (CHEMONTID:0001273) NA (NA) +0415_00464 C17H26N2O6 9.91 CCOCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCOCC InChI=1S/C17H26N2O6/c1-4-22-8-10-24-16(20)18-14-7-6-13(3)15(12-14)19-17(21)25-11-9-23-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,20)(H,19,21) XCEPDLGXLQKFCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00465 C15H21NO4 9.915 CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19) LNOOSYCKMKZOJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00466 C15H13N3O2S 9.947 COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) HDDSHPAODJUKPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00467 C20H23NO2 9.956 CC12CC=C3C(C1CCC2(CC#N)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3 LPEAVAOTAWKUPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 17-hydroxysteroids (CHEMONTID:0003236) NA (NA) +0415_00468 C27H35N6O8P 9.974 CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31) RWWYLEGWBNMMLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00469 C23H26N2 9.974 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3 WZKXBGJNNCGHIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Triphenyl compounds (CHEMONTID:0004524) NA (NA) NA (NA) NA (NA) +0415_00470 C18H22O3 9.978 CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3 SWINWPBPEKHUOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00471 C24H20N6O3 10.001 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00472 C17H21N5O9S2 10.025 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24) NIFKBBMCXCMCAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Sulfonylureas (CHEMONTID:0000490) Pyrimidinyl-2-sulfonylureas (CHEMONTID:0004705) NA (NA) +0415_00473 C12H11NO 10.034 C1=CC=C(C=C1)NC2=CC=C(C=C2)O InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H JTTMYKSFKOOQLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00474 C32H37NO4 10.045 CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36) XGHOVGYJHWQGCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00475 C13H18N2O4 10.056 CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC InChI=1S/C13H18N2O4/c1-4-18-12(16)14-10-7-6-9(3)11(8-10)15-13(17)19-5-2/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17) PHYURWGMBQTCSY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00476 C8H10O2 10.084 COC1=CC=C(C=C1)OC InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 OHBQPCCCRFSCAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0415_00477 C12H11NO2 10.147 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00478 C15H21NO4 10.17 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00479 C19H33NO2 10.17 CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3 KKGQTZUTZRNORY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00480 C11H19N5S 10.202 CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) HDHLIWCXDDZUFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00481 C13H16O3 10.239 CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16) RCINGEKPKJQCMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00482 C12H18N2O 10.257 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00483 C14H20N2O 10.259 C1CCC(CC1)NC(=O)NCC2=CC=CC=C2 InChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17) OOAFBZIRZNUNQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00484 C21H30O3 10.293 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3 BFZHCUBIASXHPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00485 C27H36N2O4 10.348 CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32) FAEKWTJYAYMJKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0415_00486 C19H34N 10.366 CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C19H34N/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1 UARILQSOMYIQCM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00487 C41H65NO10 10.391 CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 SRJQTHAZUNRMPR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00488 C9H19NO 10.403 CC1(CCCC(N1O)(C)C)C InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3 VUZNLSBZRVZGIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00489 C18H24O2 10.403 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3 VOXZDWNPVJITMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00490 C18H26O2 10.421 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3 NPAGDVCDWIYMMC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00491 C12H17NO 10.421 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0415_00492 C19H39NO 10.439 CCCCCCCCCCCCCN1CC(OC(C1)C)C InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 YTOPFCCWCSOHFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0415_00493 C18H15OP 10.458 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H FIQMHBFVRAXMOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00494 C19H24O2 10.549 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3 BCWWDWHFBMPLFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00495 C21H22N2O5S 10.616 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27) GPXLMGHLHQJAGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00496 C9H9NO5 10.686 CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3 FBHJNBWUGONVNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Nitrobenzoic acids and derivatives (CHEMONTID:0001992) NA (NA) +0415_00497 C12H17NO3 10.768 CCOCCOC(=O)NC1=CC=C(C=C1)C InChI=1S/C12H17NO3/c1-3-15-8-9-16-12(14)13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14) QMIOFDKIBZZJLH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00498 C19H24N2O2 10.768 C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2 FSVJFNAIGNNGKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrahydroisoquinolines (CHEMONTID:0002955) NA (NA) NA (NA) NA (NA) +0415_00499 C25H38O6 10.786 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CO InChI=1S/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3 ATPFRGQBOVFFQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0415_00500 C15H8O6 10.796 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) FCDLCPWAQCPTKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0415_00501 C19H17OP 10.822 C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H17OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2 NXGAOFONOFYCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00502 C14H15N3 10.83 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00503 C9H21O4P 10.873 CCCOP(=O)(OCCC)OCCC InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3 RXPQRKFMDQNODS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00504 C16H14O3 10.877 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00505 C17H18N2O6 10.896 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0415_00506 C23H40NO3 10.896 CCCCCCCCCCC(C(=O)C1=CC(=C(C=C1)OC)OC)[N+](C)(C)C InChI=1S/C23H40NO3/c1-7-8-9-10-11-12-13-14-15-20(24(2,3)4)23(25)19-16-17-21(26-5)22(18-19)27-6/h16-18,20H,7-15H2,1-6H3/q+1 WSBIWGAVHRAABE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00507 C14H14O3 10.907 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00508 C19H28O2 10.968 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3 MUMGGOZAMZWBJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00509 C13H10O3 10.97 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H ZXDDPOHVAMWLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00510 C13H14O5 10.987 COC1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3 JMFYZMAVUHNCPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acid esters (CHEMONTID:0003480) NA (NA) NA (NA) +0415_00511 C14H20N2O 11.026 CC1=CC=CC=C1NC(=O)NC2CCCCC2 InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,15,16,17) JYBQTDHFCBQLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00512 C25H34O6 11.041 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3 VOVIALXJUBGFJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00513 C15H16N2O 11.062 CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18) WVYBLYKUAKXDLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00514 C12H10O2 11.066 C1=CC=C(C=C1)OC2=CC=C(C=C2)O InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H ZSBDGXGICLIJGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00515 C18H22O5S 11.112 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22) JKKFKPJIXZFSSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0415_00516 C14H11NO5 11.114 CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 MIQPIUSUKVNLNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00517 C12H27OP 11.114 CCCCP(=O)(CCCC)CCCC InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3 MNZAKDODWSQONA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) Organophosphine oxides (CHEMONTID:0001309) NA (NA) NA (NA) +0415_00518 C20H26O2 11.133 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4 InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3 ICTXHFFSOAJUMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0415_00519 C18H22O2 11.224 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 DNXHEGUUPJUMQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00520 C22H38NO2 11.242 CCCCCCCCCCC(C(=O)OC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C22H38NO2/c1-5-6-7-8-9-10-11-15-18-21(22(24)25-4)23(2,3)19-20-16-13-12-14-17-20/h12-14,16-17,21H,5-11,15,18-19H2,1-4H3/q+1 WHJNEXRQUQOSGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00521 C22H38NO2 11.279 CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)OC)[N+](C)(C)C InChI=1S/C22H38NO2/c1-6-7-8-9-10-11-12-13-14-21(23(2,3)4)22(24)19-15-17-20(25-5)18-16-19/h15-18,21H,6-14H2,1-5H3/q+1 JMKAPSBUJQQULC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00522 C24H29N5O3 11.443 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00523 C27H42NO2 11.461 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 SIYLLGKDQZGJHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00524 C20H30O2 11.57 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3 GCKMFJBGXUYNAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00525 C19H28O2 11.589 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 FMGSKLZLMKYGDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00526 C21H38N 11.589 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1 CYDRXTMLKJDRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00527 C21H21OP 11.644 C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3 InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2 RDLZJCXTAYHYHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00528 C21H28O2 11.662 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3 CHNXZKVNWQUJIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00529 C23H40NO2 11.716 CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H40NO2/c1-5-7-8-9-10-11-12-16-19-22(23(25)26-6-2)24(3,4)20-21-17-14-13-15-18-21/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3/q+1 UBHDSOZILBGALL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00530 C14H12O4 11.753 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3 MEZZCSHVIGVWFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00531 C43H51N3O11 11.765 CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53) NZCRJKRKKOLAOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolactams (CHEMONTID:0000064) NA (NA) NA (NA) NA (NA) +0415_00532 C13H25NO 11.775 CCNC(=O)C1CC(CCC1C(C)C)C InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15) VUNOFAIHSALQQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0415_00533 C15H14O3 11.788 CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) RDJGLLICXDHJDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00534 C21H30O3 11.808 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3 DBPWSSGDRRHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00535 C11H19NOS 11.855 CCCCCCCCN1C(=O)C=CS1 InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3 JPMIIZHYYWMHDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) NA (NA) NA (NA) +0415_00536 C18H28N2O3 11.936 CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22) NWUWYYSKZYIQAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00537 C22H40NO 12.027 CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1 InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1 YXUPZGKORWTXID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00538 C21H28O2 12.063 CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3 WWYNJERNGUHSAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00539 C27H29N5O6S 12.118 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) GJPICJJJRGTNOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Bipyrimidines and oligopyrimidines (CHEMONTID:0001978) NA (NA) +0415_00540 C8H7NS2 12.209 CSC1=NC2=CC=CC=C2S1 InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 UTBVIMLZIRIFFR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00541 C36H30NP2 12.265 C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 InChI=1S/C36H30NP2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+1 FXCZFAOTGUCDBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00542 C28H44NO2 12.282 CC1=C(C=CC(=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C InChI=1S/C28H44NO2/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1 ULBZAXDVMDGCJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00543 C18H20N2O6 12.373 CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3 PVHUJELLJLJGLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0415_00544 C14H26O2 12.4 CC(C)CC(C)(C#CC(C)(CC(C)C)O)O InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3 LXOFYPKXCSULTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Alpha,beta-unsaturated carbonyl compounds (CHEMONTID:0003131) Alpha,beta-unsaturated ketones (CHEMONTID:0003672) +0415_00545 C9H6N2S3 12.417 C1=CC=C2C(=C1)N=C(S2)SCSC#N InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2 TUBQDCKAWGHZPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00546 C12H15N 12.497 CC1=CC(NC2=CC=CC=C12)(C)C InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3 ZNRLMGFXSPUZNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0415_00547 C22H32O3 12.524 CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3 FRQMUZJSZHZSGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00548 C17H21NO2 12.596 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 WXZVAROIGSFCFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00549 C15H12O2 12.61 C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 ZONYXWQDUYMKFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0415_00550 C22H46NO7P 12.658 CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3 VXUOFDJKYGDUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0415_00551 C37H48N6O5S2 12.676 CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46) NCDNCNXCDXHOMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00552 C15H14O5 12.683 COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3 SODJJEXAWOSSON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00553 C23H42NO 12.702 CCCCCCCCCCCCOCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42NO/c1-4-5-6-7-8-9-10-11-12-16-20-25-21-19-24(2,3)22-23-17-14-13-15-18-23/h13-15,17-18H,4-12,16,19-22H2,1-3H3/q+1 SWTCNSQVRSSFNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00554 C23H42N 12.775 CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1 WNBGYVXHFTYOBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00555 C15H17O4P 12.828 CC(C)OP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 InChI=1S/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3 YDICVVYPXSZSFA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00556 C13H18O2 12.85 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00557 C15H22O4 12.884 CCC(CCC(C)O)COC(=O)C1=CC=CC=C1O InChI=1S/C15H22O4/c1-3-12(9-8-11(2)16)10-19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,16-17H,3,8-10H2,1-2H3 GBHBFLJCRCERFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) o-Hydroxybenzoic acid esters (CHEMONTID:0004700) +0415_00558 C10H19O6PS2 12.939 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00559 C21H39N 12.994 CCCCCCCCCCCCCCCCN1CC=CC=C1 InChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20H,2-14,16,19,21H2,1H3 HWFVEGMPSKKDQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) NA (NA) +0415_00560 C13H10O2 13.03 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H HJIAMFHSAAEUKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00561 C17H19NO4 13.067 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00562 C20H22N4O6S 13.085 COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27) HMCCXLBXIJMERM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) Diarylthioethers (CHEMONTID:0003864) NA (NA) +0415_00563 C19H20N2O2 13.103 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00564 C12H9NS 13.113 C1=CC=C2C(=C1)NC3=CC=CC=C3S2 InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H WJFKNYWRSNBZNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00565 C19H22N2O3 13.184 CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22) WXUZAHCNPWONDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00566 C25H30O3 13.267 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5 InChI=1S/C25H30O3/c1-25-12-11-20-19-10-8-18(28-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)24(25)27/h2-6,8,10,13,20-24,26-27H,7,9,11-12,14-15H2,1H3 GDUPBUZZJUIEDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00567 C14H12O3 13.504 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 DXGLGDHPHMLXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00568 C27H48NO2 13.596 CCCCCCCCCCC(C(=O)OCCCCCC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C27H48NO2/c1-5-7-9-11-12-13-14-18-22-26(27(29)30-23-19-10-8-6-2)28(3,4)24-25-20-16-15-17-21-25/h15-17,20-21,26H,5-14,18-19,22-24H2,1-4H3/q+1 BDTUDUVSLLJWQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00569 C18H15NO2 13.596 CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 IAJNXBNRYMEYAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00570 C16H11NO2 13.705 C1=CC=C(C=C1)C(=C(C#N)C(=O)O)C2=CC=CC=C2 InChI=1S/C16H11NO2/c17-11-14(16(18)19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H,18,19) VSXIZXFGQGKZQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00571 C24H34O4 13.723 CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 PSGAAPLEWMOORI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00572 C9H9NS2 13.742 CCSC1=NC2=CC=CC=C2S1 InChI=1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3 HKIQFQKRAQSUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00573 C21H30O2 13.796 CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3 RJKFOVLPORLFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00574 C24H27NO3 13.815 CCC(CCC(C)O)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C24H27NO3/c1-3-19(15-14-18(2)26)17-28-24(27)22(16-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,26H,3,14-15,17H2,1-2H3 QOJGFAVCVCFMKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00575 C11H12N2OS3 13.833 C1COCCN1SSC2=NC3=CC=CC=C3S2 InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2 QRYFCNPYGUORTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00576 C15H14N2O6 13.85 CC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-] InChI=1S/C15H14N2O6/c1-15(2,9-3-5-13(18)11(7-9)16(20)21)10-4-6-14(19)12(8-10)17(22)23/h3-8,18-19H,1-2H3 LISYARSNTHASDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0415_00577 C10H12N2O5 13.854 CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3 IIPZYDQGBIWLBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0415_00578 C12H27O4P 13.862 CCCCOP(=O)(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00579 C25H46N 13.869 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1 QDYLMAYUEZBUFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00580 C12H27O4P 14.015 CC(C)COP(=O)(OCC(C)C)OCC(C)C InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3 HRKAMJBPFPHCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00581 C18H15O4P 14.07 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H XZZNDPSIHUTMOC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00582 C22H21O2P 14.088 CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3 VFHVQBAGLAREND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0415_00583 C21H26N2O 14.103 C1CCC(CC1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 InChI=1S/C21H26N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24) QAVDMLYEKOVQPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00584 C10H14NO5PS 14.107 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0415_00585 C15H10O2 14.18 C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H NFBAXHOPROOJAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) Indanones (CHEMONTID:0001151) Indanediones (CHEMONTID:0000040) NA (NA) +0415_00586 C16H35O2P 14.45 CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O InChI=1S/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18) QUXFOKCUIZCKGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) NA (NA) NA (NA) NA (NA) NA (NA) +0415_00587 C18H15PS 14.508 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H VYNGFCUGSYEOOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00588 C12H21N2O3PS 14.526 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0415_00589 C30H24O12 14.542 C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1 InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2 IICRGUKQYYOPIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Phthalic acid and derivatives (CHEMONTID:0001105) Phthalate esters (CHEMONTID:0004009) +0415_00590 C21H26O2 14.544 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3 IMSSROKUHAOUJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00591 C18H16N2 14.544 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3 InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H UTGQNNCQYDRXCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00592 C18H26N2O4 14.611 CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C InChI=1S/C18H26N2O4/c1-5-23-16(21)14-7-6-8-15(13-14)19-9-11-20(12-10-19)17(22)24-18(2,3)4/h6-8,13H,5,9-12H2,1-4H3 CCLGNFZMWMCRCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) Phenylpiperazines (CHEMONTID:0001984) NA (NA) +0415_00593 C18H39O7P 14.631 CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3 WTLBZVNBAKMVDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00594 C18H11NO3 14.718 C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=CC=CC=C4C3=O)O InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H FDTLQXNAPKJJAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) Indanones (CHEMONTID:0001151) Indanediones (CHEMONTID:0000040) NA (NA) +0415_00595 C19H24O3 14.861 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3 SMKRKQBMYOFFMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0415_00596 C26H56P 14.891 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1 YCBRTSYWJMECAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00597 C12H26O4S 14.914 CCCCCCCCCCCCOS(=O)(=O)O InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15) MOTZDAYCYVMXPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0415_00598 C24H50NO7P 14.942 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3 ASWBNKHCZGQVJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0415_00599 C27H50N 14.946 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1 FWLORMQUOWCQPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00600 C13H11N3O 15.201 CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 MCPKSFINULVDNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,3-triazoles (CHEMONTID:0003315) +0415_00601 C29H56NO10P 15.246 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)O InChI=1S/C29H56NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(33)37-24-26(40-29(34)21-18-19-27(31)32)25-39-41(35,36)38-23-22-30(2,3)4/h26H,5-25H2,1-4H3,(H-,31,32,35,36) CDZVJFRXJAUXPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0415_00602 C18H20N2O3 15.402 CCC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OCC InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22) YIMHRDBSVCPJOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00603 C25H38O5 15.438 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0415_00604 C14H21NOS 15.467 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00605 C19H17NOS 15.53 CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2 InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3 FUSNMLFNXJSCDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00606 C21H21O4P 15.788 CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3 JJXNVYMIYBNZQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00607 C30H24O8P2 15.87 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5 InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H OWICEWMBIBPFAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00608 C21H21O4P 15.924 CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3 BOSMZFBHAYFUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00609 C19H30O5 15.985 CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 RPWFJAMTCNSJKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00610 C28H60P 16.04 CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C28H60P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1 OKBQUWUVZGPEQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00611 C19H26O3 16.132 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 ZCVAOQKBXKSDMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0415_00612 C17H29NO3S 16.132 CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)O InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3 CSPPKDPQLUUTND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0415_00613 C50H75NO14 16.157 CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)C)C InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52) ZKWQQXZUCOBISE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0415_00614 C13H19N3O4 16.198 CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0415_00615 C32H68P 16.405 CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC InChI=1S/C32H68P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1 WFIYFFUAOQKJJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00616 C20H27O4P 16.989 CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 CGSLYBDCEGBZCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00617 C32H68P 17.125 CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC InChI=1S/C32H68P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-32H2,1-4H3/q+1 PYVOHVLEZJMINC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00618 C24H27O4P 17.429 CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C InChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3 RMNODSGCFHVNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00619 C24H28O2 17.591 CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) NAVMQTYZDKMPEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0415_00620 C24H27NO2 17.664 CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 FMJSMJQBSVNSBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00621 C39H34O8P2 17.714 CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6 InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3 BQPNUOYXSVUVMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00622 C20H30O4 18.102 CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 KCXZNSGUUQJJTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0415_00623 C27H33O4P 18.874 CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3 ANVREEJNGJMLOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00624 C21H26O3 19.014 CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3 QUAMTGJKVDWJEQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00625 C20H25N3O 19.562 CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 IYAZLDLPUNDVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,3-triazoles (CHEMONTID:0003315) +0415_00626 C36H62O11 20.39 CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40) GAOZTHIDHYLHMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Heterocyclic fatty acids (CHEMONTID:0001989) NA (NA) +0415_00627 C40H68O11 21.24 CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43) DANUORFCFTYTSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0415_00628 C9H11NO3 2.614 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00629 C19H42N 12.775 CCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1 RLGQACBPNDBWTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00630 C13H24N2O 10.759 C1CCC(CC1)NC(=O)NC2CCCCC2 InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) ADFXKUOMJKEIND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0415_00631 C8H20N 2.284 CC[N+](CC)(CC)CC InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1 CBXCPBUEXACCNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00632 C13H12N2O 10.768 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) GWEHVDNNLFDJLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00633 C15H34N 10.001 CCCCCCCCCCCC[N+](C)(C)C InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1 VICYBMUVWHJEFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00634 C21H46N 13.997 CCCCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1 PDSVZUAJOIQXRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00635 C16H35N 11.365 CCCCCCCCCCCCCCN(C)C InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3 SFBHPFQSSDCYSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) +0415_00636 C10H22O5 6.006 COCCOCCOCCOCCOC InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3 ZUHZGEOKBKGPSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Dialkyl ethers (CHEMONTID:0001167) NA (NA) +0415_00637 C12H28N 5.568 CCC[N+](CCC)(CCC)CCC InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1 OSBSFAARYOCBHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00638 C5H9NO 4.39 CN1CCCC1=O InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 SECXISVLQFMRJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00639 C17H38N 11.497 CCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1 GLFDLEXFOHUASB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00640 C34H72N 18.376 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC InChI=1S/C34H72N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3/q+1 SWSFKKWJEHRFFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00641 C16H36N 8.907 CCCC[N+](CCCC)(CCCC)CCCC InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1 DZLFLBLQUQXARW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00642 C22H48N 13.395 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1 JGFDZZLUDWMUQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00643 C20H44N 11.279 CCCCC[N+](CCCCC)(CCCCC)CCCCC InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1 GJSGYPDDPQRWPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00644 C6H14NO 1.307 C[N+](C)(C)CC1CO1 InChI=1S/C6H14NO/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/q+1 LRQFRDLKOBFOSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00645 C26H56N 15.329 CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC InChI=1S/C26H56N/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3/q+1 QQJDHWMADUVRDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00646 C23H50N 15.717 CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C23H50N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)4/h5-23H2,1-4H3/q+1 IVYJQUYTOJAORN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00647 C30H64N 16.898 CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC InChI=1S/C30H64N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1 CJBMLKNLJXFFGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00648 C12H25NO 13.577 CCCCCCCCCC(=O)N(C)C InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3 HNXNKTMIVROLTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) N-acyl amines (CHEMONTID:0001096) NA (NA) +0415_00649 C20H44N 13.03 CCCCCCCCCCCCCCCC[N+](C)(C)CC InChI=1S/C20H44N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3/q+1 VCAVAURZPNANDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00650 C13H30N 7.009 CCCC[N+](C)(CCCC)CCCC InChI=1S/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1 HJHUXWBTVVFLQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00651 C20H44N 12.371 CCCCCCCCCC[N+](C)(C)CCCCCCCC InChI=1S/C20H44N/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2/h5-20H2,1-4H3/q+1 JVCWUSHFUPUBHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00652 C18H40N 11.669 CCCCCCCC[N+](C)(C)CCCCCCCC InChI=1S/C18H40N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/q+1 MELGLHXCBHKVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00653 C17H21NO2 8.07 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-] InChI=1S/C17H21NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 OEQNVWKWQPTBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00654 C24H52N 13.103 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1 DTIFFPXSSXFQCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00655 C28H60N 14.727 CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC InChI=1S/C28H60N/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-28H2,1-4H3/q+1 YFZDLRVCXDBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00656 C21H44N 13.666 CCCCCCCCC=CCCCCCCCC[N+](C)(C)C InChI=1S/C21H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h12-13H,5-11,14-21H2,1-4H3/q+1 QYWVQMLYIXYLRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00657 C12H27P 5.221 CC(C)(C)P(C(C)(C)C)C(C)(C)C InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3 BWHDROKFUHTORW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) NA (NA) NA (NA) NA (NA) +0415_00658 C38H60O18 8.074 CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3 UEDUENGHJMELGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) Steviol glycosides (CHEMONTID:0001756) +0415_00659 C32H68N 16.186 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1 CHYBTAZWINMGHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00660 C12H23NO 12.596 CCCCCCCCN1CCCC1=O InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3 WPPOGHDFAVQKLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00661 C17H38N 9.57 CCCCC[N+](CCCC)(CCCC)CCCC InChI=1S/C17H38N/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-17H2,1-4H3/q+1 YDZKVIKDXBFPMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00662 C12H10OP 8.031 C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2 InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1 YFPJFKYCVYXDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00663 C22H23O3PS 7.137 C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2 RKQKXPDRWYNUGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00664 C23H23O2P 7.21 C1=CC=C(C=C1)[P+](CCCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H23O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2 CPVNCBJFUQQXSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00665 C15H10O7 8.074 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0415_00666 C7H16NO2 2.065 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0415_00667 C15H12N2O2 8.323 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) diff --git a/processed_data/0415/0415_rtdata_isomeric_success.tsv b/processed_data/0415/0415_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..38cb5223c --- /dev/null +++ b/processed_data/0415/0415_rtdata_isomeric_success.tsv @@ -0,0 +1,668 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0415_00001 C6H13NO2 2.357 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00002 C8H19N 6.9 CCCCCCCCN InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 IOQPZZOEVPZRBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00003 C10H13NO2 7.622 CCOC1=CC=C(C=C1)NC(=O)C InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) CPJSUEIXXCENMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00004 C7H8N4O2 4.936 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00005 C8H10N4O2 5.509 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00006 C7H8N4O2 5.242 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00007 C7H8N4O2 5.064 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00008 C9H10O5 5.696 COC1=CC(=CC(=C1O)OC)C(=O)O InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) JMSVCTWVEWCHDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00009 C16H12O7 9.418 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0415_00010 C16H12O4 10.093 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0415_00011 C13H10O 12.61 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H RWCCWEUUXYIKHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00012 C7H6O3 5.62 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0415_00013 C7H6O2 7.56 C1=CC=C(C=C1)C(=O)O InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00014 C7H6O3 7.886 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00015 C6H8O7 2.078 C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) KRKNYBCHXYNGOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0415_00016 C6H10O4 5.22 C(CCC(=O)O)CC(=O)O InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) WNLRTRBMVRJNCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0415_00017 C5H4N4O3 2.079 C12=C(NC(=O)N1)NC(=O)NC2=O InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) LEHOTFFKMJEONL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00018 C15H10O4 11.048 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0415_00019 C9H6O4 5.732 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0415_00020 C15H10O4 7.744 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0415_00021 C15H12O5 9.18 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0415_00022 C15H14O5 8.766 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0415_00023 C5H4N4O2 2.43 C1=NC2=C(N1)C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00024 C2H4N4 1.218 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0415_00025 C7H15NO4S 1.291 C1COCCN1CCCS(=O)(=O)O InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) DVLFYONBTKHTER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0415_00026 H3NO3S 1.3 NS(=O)(=O)O InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) IIACRCGMVDHOTQ-UHFFFAOYSA-N Inorganic compounds (CHEMONTID:0000001) Homogeneous non-metal compounds (CHEMONTID:0000423) Other non-metal organides (CHEMONTID:0000453) Other non-metal oxides (CHEMONTID:0000554) NA (NA) NA (NA) +0415_00027 C6H12N2 1.341 CCN1CN(C=C1)C InChI=1S/C6H12N2/c1-3-8-5-4-7(2)6-8/h4-5H,3,6H2,1-2H3 IBZJNLWLRUHZIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00028 C4H11N5 1.521 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0415_00029 C10H13N4O8P 2.062 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0415_00030 C21H27N7O14P2 2.094 C1=CC(=C[N+](=C1)C2C(C(C(O2)CO[P+](O)([O-])O[P+]([O-])([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37) BAWFJGJZGIEFAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) (5'->5')-dinucleotides (CHEMONTID:0003468) NA (NA) NA (NA) NA (NA) +0415_00031 C8H11NO3 2.11 CC1=NC=C(C(=C1O)CO)CO InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxines (CHEMONTID:0001948) NA (NA) NA (NA) +0415_00032 C8H12N5O4P 2.12 C1=NC(=C2C(=N1)N(C=N2)CCOC[P+](O)(O)[O-])N InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) SUPKOOSCJHTBAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0415_00033 C7H10N2 2.138 CC1=C(C=C(C=C1)N)N InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 VOZKAJLKRJDJLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Aminotoluenes (CHEMONTID:0003964) Diaminotoluenes (CHEMONTID:0003965) +0415_00034 C11H23NO2 2.162 CC1(CC(CC(N1CCO)(C)C)O)C InChI=1S/C11H23NO2/c1-10(2)7-9(14)8-11(3,4)12(10)5-6-13/h9,13-14H,5-8H2,1-4H3 STEYNUVPFMIUOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00035 C10H14N5O6P 2.173 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19) KHWCHTKSEGGWEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +0415_00036 C7H7NO3 2.181 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0415_00037 C9H13N5O4 2.235 C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) IRSCQMHQWWYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00038 C5H9N5O 2.315 CCNC1=NC(=O)NC(=N1)N InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11) XRVCXZWINJOORX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0415_00039 C6H7N5O 2.342 CN1C(=O)C2=C(N=CN2)N=C1N InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9) RFLVMTUMFYRZCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) 6-oxopurines (CHEMONTID:0001505) +0415_00040 C6H7N5 2.36 CN1C=NC2=C(C1=N)NC=N2 InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9) SATCOUWSAZBIJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00041 C6H6N4O2 2.378 CN1C=NC2=C1NC(=O)NC2=O InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12) DHNIKYWYTSMDDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00042 C6H7N5O 2.43 CN1C=NC2=C1N=C(NC2=O)N InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12) UUWJNBOCAPUTBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00043 C8H9N3O4S 2.456 C1C(OC(S1)C(=O)O)N2C=CC(=NC2=O)N InChI=1S/C8H9N3O4S/c9-4-1-2-11(8(14)10-4)5-3-16-7(15-5)6(12)13/h1-2,5,7H,3H2,(H,12,13)(H2,9,10,14) PIIRVEZNDVLYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) NA (NA) NA (NA) NA (NA) +0415_00044 C5H4N4 2.566 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00045 C10H15N5O3 2.597 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00046 C6H10N2O2 2.615 C1CC(=O)N(C1)CC(=O)N InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9) GMZVRMREEHBGGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00047 C5H5N5S 2.689 C1=NC2=C(N1)C(=S)N=C(N2)N InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) WYWHKKSPHMUBEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinethiones (CHEMONTID:0001998) NA (NA) +0415_00048 C9H13NO2 2.73 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0415_00049 C9H14N5O4P 2.771 CC(CN1C=NC2=C(N=CN=C21)N)OC[P+](O)(O)[O-] InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17) SGOIRFVFHAKUTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0415_00050 C9H17NO 2.824 CC1(CC(=O)CC(N1)(C)C)C InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3 JWUXJYZVKZKLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) NA (NA) NA (NA) +0415_00051 C9H14N 2.831 C[N+](C)(C)C1=CC=CC=C1 InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1 ZNEOHLHCKGUAEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00052 C5H4N4O2 2.85 C1=NNC2=C1C(=O)NC(=O)N2 InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) HXNFUBHNUDHIGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00053 C8H9N5O4 2.92 C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N InChI=1S/C8H9N5O4/c9-8-11-6-5(7(16)12-8)10-2-13(6)3-17-1-4(14)15/h2H,1,3H2,(H,14,15)(H3,9,11,12,16) MICNQLKUSOVNNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0415_00054 C13H22N4O4S 2.941 CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 SKHXRNHSZTXSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00055 C6H7O3P 3.086 C1=CC=C(C=C1)[P+](O)(O)[O-] InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) QLZHNIAADXEJJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00056 C8H11N3O3S 3.105 C1C(OC(S1)CO)N2C=CC(=NC2=O)N InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13) JTEGQNOMFQHVDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) 3'-thia pyrimidine nucleosides (CHEMONTID:0003746) NA (NA) NA (NA) +0415_00057 C8H13N5O3 3.123 C1=NC2=C(N1COCCO)NC(=NC2O)N InChI=1S/C8H13N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,7,14-15H,1-2,4H2,(H3,9,11,12) UKLIQLMEFHFGAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0415_00058 C10H13N5O5 3.148 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00059 C5H4N4O 3.149 C1=NNC2=C1C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrazolopyrimidines (CHEMONTID:0000305) Pyrazolo[3,4-d]pyrimidines (CHEMONTID:0004387) NA (NA) NA (NA) +0415_00060 C10H13N5O4 3.196 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00061 C14H22N2O4 3.214 CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O InChI=1S/C14H22N2O4/c1-9(2)16-7-11(17)8-20-12-5-3-10(4-6-12)13(18)14(15)19/h3-6,9,11,13,16-18H,7-8H2,1-2H3,(H2,15,19) GSZUNNBDULASMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00062 C5H6N2O2 3.227 CC1=CNC(=O)NC1=O InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) RWQNBRDOKXIBIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0415_00063 C10H13N5O3 3.397 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13) OLXZPDWKRNYJJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00064 C6H7O4P 3.47 C1=CC=C(C=C1)OP(=O)(O)O InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) CMPQUABWPXYYSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphomonoesters (CHEMONTID:0004617) +0415_00065 C5H8N2O2 3.47 CC1(C(=O)NC(=O)N1)C InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9) YIROYDNZEPTFOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00066 C6H6O2 3.674 C1=CC(=CC=C1O)O InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Hydroquinones (CHEMONTID:0000136) NA (NA) +0415_00067 C5H4N4OS 4.02 C1=NC2=C(N1)C(=S)NC(=O)N2 InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11) RJOXFJDOUQJOMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) NA (NA) +0415_00068 C8H11NO 4.073 CN(C)C1=CC(=CC=C1)O InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3 MESJRHHDBDCQTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00069 C10H13N5O4 4.09 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00070 C4H5NO4S 4.125 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0415_00071 C10H12N4O4 4.181 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) VGONTNSXDCQUGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0415_00072 C9H15N 4.236 CCCCN1CC=CC=C1 InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8H,2-3,7,9H2,1H3 GDCCFQMGFUZVKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) NA (NA) +0415_00073 C6H9NOS 4.251 CC1=C(SC=N1)CCO InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 BKAWJIRCKVUVED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 4,5-disubstituted thiazoles (CHEMONTID:0002636) NA (NA) +0415_00074 C9H20N 4.267 CCCC[N+]1(CCCC1)C InChI=1S/C9H20N/c1-3-4-7-10(2)8-5-6-9-10/h3-9H2,1-2H3/q+1 PXELHGDYRQLRQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00075 C8H10N2O2 4.291 COC(=O)NC1=CC=CC(=C1)N InChI=1S/C8H10N2O2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3,(H,10,11) ACQVQJHUIZBTTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00076 C10H12N4O5 4.313 C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18) KFQUAMTWOJHPEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrazolo[3,4-d]pyrimidine glycosides (CHEMONTID:0003750) NA (NA) NA (NA) NA (NA) +0415_00077 C10H12N4O6 4.346 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00078 C9H10N2 4.346 C1CN=C(N1)C2=CC=CC=C2 InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) BKCCAYLNRIRKDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00079 C4H6N2O 4.412 CC1=CC(=NO1)N InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6) FKPXGNGUVSHWQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidolactams (CHEMONTID:0003886) NA (NA) NA (NA) NA (NA) +0415_00080 C9H13N 4.419 CN(C)CC1=CC=CC=C1 InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 XXBDWLFCJWSEKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00081 C9H12N2O2 4.424 CC1=C(C=CC=C1NC(=O)OC)N InChI=1S/C9H12N2O2/c1-6-7(10)4-3-5-8(6)11-9(12)13-2/h3-5H,10H2,1-2H3,(H,11,12) VYRAHTPNSYEFTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00082 C6H6N4O2 4.437 CN1C=NC2=C1C(=O)NC(=O)N2 InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) PFWLFWPASULGAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00083 C9H10N2O3 4.455 CC(=O)NC1=CC(=CC(=C1)N)C(=O)O InChI=1S/C9H10N2O3/c1-5(12)11-8-3-6(9(13)14)2-7(10)4-8/h2-4H,10H2,1H3,(H,11,12)(H,13,14) SETVYNZSWPLKAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Acylaminobenzoic acid and derivatives (CHEMONTID:0004361) NA (NA) +0415_00084 C10H16N 4.459 C[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1 YOUGRGFIHBUKRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00085 C8H9NO3 4.471 CC(=O)NC1=CC(=C(C=C1)O)O InChI=1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10) IPFBMHOMTSBTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00086 C6H10N6O 4.473 CN(C)N=NC1=C(NC=N1)C(=O)N InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9) FDKXTQMXEQVLRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acid derivatives (CHEMONTID:0001093) Carboxylic acid amides (CHEMONTID:0000475) 2-heteroaryl carboxamides (CHEMONTID:0004817) +0415_00087 C24H34N8O4S2 4.48 CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30) GFEGEDUIIYDMOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0415_00088 C12H17NO2 4.49 CC1=CC(=O)N(C(=C1)C2CCCCC2)O InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3 SCKYRAXSEDYPSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Pyridinones (CHEMONTID:0001160) NA (NA) +0415_00089 C4H10NO3PS 4.502 CC(=O)N[P+]([O-])(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0415_00090 C6H6N4O2 4.502 CN1C2=C(C(=O)NC1=O)NC=N2 InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00091 C10H14N2O5 4.533 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0415_00092 C12H19NO3 4.546 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0415_00093 C12H17N5O5 4.565 CN(C)C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21) RSPURTUNRHNVGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00094 C14H17NO8 4.58 CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21) IPROLSVTVHAQLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0415_00095 C12H20N2O3S 4.583 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0415_00096 C6H9NO3 4.583 COC(=O)C1CCC(=O)N1 InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8) HQGPKMSGXAUKHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00097 C7H10N4O2 4.607 CCOC(=O)C1=CN=C(N=C1N)N InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11) MANFWSKJPOXKJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidinecarboxylic acids and derivatives (CHEMONTID:0001319) Pyrimidinecarboxylic acids (CHEMONTID:0002415) +0415_00098 C10H12N2 4.619 C1CN=C(N1)CC2=CC=CC=C2 InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12) JIVZKJJQOZQXQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00099 C14H22N2O3 4.619 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00100 C4H11O3P 4.628 CC(C)(C)[P+](O)(O)[O-] InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7) OGDSVONAYZTTDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0415_00101 C10H22N 4.656 CCCC[N+]1(CCCCC1)C InChI=1S/C10H22N/c1-3-4-8-11(2)9-6-5-7-10-11/h3-10H2,1-2H3/q+1 UVCPHBWNKAXVPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00102 C6H9N3O2 4.656 COC1=NC(=NC(=C1)N)OC InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9) LNTJJKHTAZFVJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0415_00103 C14H9NO2 4.656 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) IYRYQBAAHMBIFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0415_00104 C26H50N4O2 4.674 CC1(CC(CC(N1)(C)C)N(CCCCCCN(C=O)C2CC(NC(C2)(C)C)(C)C)C=O)C InChI=1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)27-23)29(19-31)13-11-9-10-12-14-30(20-32)22-17-25(5,6)28-26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3 UONLDZHKYCFZRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00105 C9H13N5 4.675 CC1=CC=CC=C1N=C(N)N=C(N)N InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14) SQZCAOHYQSOZCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) NA (NA) NA (NA) +0415_00106 C13H21NO3 4.69 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0415_00107 C6H6N2O3 4.692 C1=CC(=C(C=C1N)[N+](=O)[O-])O InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2 WHODQVWERNSQEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) NA (NA) NA (NA) +0415_00108 C10H20N2O 4.698 CC(=C)C(=NCCC[N+](C)(C)C)[O-] InChI=1S/C10H20N2O/c1-9(2)10(13)11-7-6-8-12(3,4)5/h1,6-8H2,2-5H3 VZTGWJFIMGVKSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00109 C16H19N3O5S 4.706 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24) LSQZJLSUYDQPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0415_00110 C13H17N3O 4.71 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3 RMMXTBMQSGEXHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00111 C8H10N4O2 4.729 CN1C=NC2=C1N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 LPHGQDQBBGAPDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00112 C9H18N2 4.733 CCCCN1C=CN(C1C)C InChI=1S/C9H18N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-9H,4-6H2,1-3H3 TYOCDPIZUIQUSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00113 C9H13NO2 4.753 C1=CC=C(C=C1)OCC(CN)O InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2 JZEHWMUIAKALDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00114 C12H20N4O3S 4.769 CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3 WZLBVRXZNDXPPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00115 C4H11O3P 4.77 CCCC[P+](O)(O)[O-] InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) UOKRBSXOBUKDGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphonic acids and derivatives (CHEMONTID:0000419) Organic phosphonic acids (CHEMONTID:0001302) NA (NA) NA (NA) +0415_00116 C11H13N3O 4.783 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 RLFWWDJHLFCNIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00117 C13H16N4O3 4.783 COC1=CC(=CC(=C1O)OC)CC2=CN=C(N=C2N)N InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) HPOCGNHBIFZCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00118 C11H15N5O3S 4.785 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0415_00119 C7H7N3 4.787 C1=CC=C2C(=C1)NC(=N2)N InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00120 C10H14N2O3 4.802 COCCOC(=O)NC1=CC=CC(=C1)N InChI=1S/C10H14N2O3/c1-14-5-6-15-10(13)12-9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13) ZBYDMKPFQILQOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00121 C6H9N3O3 4.808 CC1=NC=C(N1CCO)[N+](=O)[O-] InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 VAOCPAMSLUNLGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Nitroimidazoles (CHEMONTID:0000242) +0415_00122 C12H15N3O 4.819 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3 JILCEWWZTBBOFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00123 C9H19N 4.823 CC1(CCCC(N1)(C)C)C InChI=1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3 RKMGAJGJIURJSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00124 C13H22N4O3S 4.832 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00125 C9H19NO2 4.84 CC(C)CC(CC(=O)O)CNC InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12) MADUVMLGQASXOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00126 C15H24N2O4S 4.856 CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18) JTVPZMFULRWINT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0415_00127 C9H12N2O2 4.863 CCOC(=O)NC1=CC=C(C=C1)N InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12) SABZQUOBNXDLDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00128 C18H34N2O6S 4.875 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00129 C9H17NO2 4.875 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00130 C7H7NO2 4.893 C1=CC=C(C=C1)C(=O)NO InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9) VDEUYMSGMPQMIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0415_00131 C14H21NO4 4.893 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00132 C13H17NO2 4.91 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00133 C12H19N3O 4.911 CC(C)NC(=O)C1=CC=C(C=C1)CNNC InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16) CPTBDICYNRMXFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00134 C6H7N5S 4.912 CSC1=NC(=NC2=C1NC=N2)N InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) YEGKYFQLKYGHAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-thiopurines (CHEMONTID:0003453) NA (NA) +0415_00135 C11H14N2 4.93 CN1CN(C=C1)CC2=CC=CC=C2 InChI=1S/C11H14N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3 MNYOKDIIUJDYBM-UHFFFAOYSA-N +0415_00136 C15H23N3O4S 4.958 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00137 C10H12N2 4.966 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0415_00138 C13H16N4O2 4.966 COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) LDBTVAXGKYIFHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0415_00139 C3H9O4P 4.966 CO[P+]([O-])(OC)OC InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 WVLBCYQITXONBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00140 C20H22N8O5 4.984 CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27) FBOZXECLQNJBKD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Pterins and derivatives (CHEMONTID:0000110) Pteroic acids and derivatives (CHEMONTID:0001228) Folic acids and derivatives (CHEMONTID:0000255) +0415_00141 C11H12N2S 5.021 C1CSC2=NC(CN21)C3=CC=CC=C3 InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 HLFSDGLLUJUHTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazothiazoles (CHEMONTID:0000756) NA (NA) NA (NA) NA (NA) +0415_00142 C13H16N4O3 5.021 COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) HWBPOLWLLFXEJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00143 C8H9NO2 5.022 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0415_00144 C13H10N2O3S 5.039 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18) UVCJGUGAGLDPAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00145 C7H9O3P 5.039 C1=CC=C(C=C1)C[P+](O)(O)[O-] InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10) OGBVRMYSNSKIEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00146 C6H10N2O2 5.057 CC1(C(=O)NC(=O)N1C)C InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10) ZNYIPTYJBRGSSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00147 C18H19NO3 5.057 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4 InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3 XYYVYLMBEZUESM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00148 C15H25NO4 5.057 CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3 OFRYBPCSEMMZHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00149 C6H13NO3S 5.069 C1CCC(CC1)NS(=O)(=O)O InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) HCAJEUSONLESMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfamic acid derivatives (CHEMONTID:0000039) Cyclamates (CHEMONTID:0000365) NA (NA) NA (NA) +0415_00150 C9H9N3O2 5.075 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00151 C10H14N2O2 5.082 CCOC(=O)NC1=CC=CC(=C1C)N InChI=1S/C10H14N2O2/c1-3-14-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13) CUARKGNESAJPQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00152 C13H22N 5.094 CC[N+](CC)(CC)CC1=CC=CC=C1 InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1 VBQDSLGFSUGBBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00153 C14H18N6O 5.094 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19) MCGSCOLBFJQGHM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) Cyclopentyl nucleosides (CHEMONTID:0003738) 1,3-substituted cyclopentyl nucleosides (CHEMONTID:0003740) 1,3-substituted cyclopentyl purine nucleosides (CHEMONTID:0003718) +0415_00154 C14H23NO3 5.112 CC(C)NCC(COC1=CC=C(C=C1)CCO)O InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3 CUKXSBOAIJILRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00155 C14H18N4O3 5.112 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00156 C17H27NO4 5.13 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3 VWPOSFSPZNDTMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0415_00157 C8H14N2O2 5.137 CCC(C(=O)N)N1CCCC1=O InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12) HPHUVLMMVZITSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00158 C10H17N 5.148 C1C2CC3CC1CC(C2)(C3)N InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 DKNWSYNQZKUICI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00159 C14H20N2O2 5.148 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 JZQKKSLKJUAGIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0415_00160 C6H15OP 5.148 CCP(=O)(CC)CC InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3 ZSSWXNPRLJLCDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) Organophosphine oxides (CHEMONTID:0001309) NA (NA) NA (NA) +0415_00161 C12H9N3 5.155 C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3 InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H,(H,14,15) BOUOQESVDURNSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00162 C9H10N2S 5.162 CC(C1=NC2=CC=CC=C2S1)N InChI=1S/C9H10N2S/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3 LXVJOKQWUUSEEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00163 C11H11N 5.162 CC1=CC2=C(C=C1)N=C(C=C2)C InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3 JJPSZKIOGBRMHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) NA (NA) NA (NA) NA (NA) +0415_00164 C8H17NO2 5.167 CC(C)CC(CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) AYXYPKUFHZROOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00165 C21H31N3O5 5.185 C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29) RLAWWYSOJDYHDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00166 C14H16N6O2 5.194 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)C(=O)O InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19) OCSMNHMMTKMVCP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Nucleoside and nucleotide analogues (CHEMONTID:0003737) NA (NA) NA (NA) NA (NA) +0415_00167 C7H5NO3S 5.195 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00168 C10H7N3S 5.203 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00169 C12H11N7 5.203 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0415_00170 C11H12N2O4 5.221 CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C InChI=1S/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17) GEDTXYBZWNEYAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Acylaminobenzoic acid and derivatives (CHEMONTID:0004361) NA (NA) +0415_00171 C10H10N4O2S 5.24 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00172 C6H5N3O 5.24 C1=CC=C2C(=C1)N=NN2O InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H ASOKPJOREAFHNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00173 C13H13N3O3 5.24 C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18) GOTYRUGSSMKFNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0415_00174 C22H24N2O9 5.276 C[C@@]1([C@H]2[C@@H]([C@@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13+,14-,17+,21-,22+/m1/s1 OWFJMIVZYSDULZ-IWAMADISSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00175 C13H11N3 5.276 C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)N InChI=1S/C13H11N3/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,14H2,(H,15,16) PVNHYDDCQMHWAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00176 C6H5N3O 5.337 C1=CC2=NNN=C2C(=C1)O InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9) JMTMSDXUXJISAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00177 C14H22N 5.349 CC[N+](CC)(CC=C)CC1=CC=CC=C1 InChI=1S/C14H22N/c1-4-12-15(5-2,6-3)13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3/q+1 MLOZIWKXHDXCDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00178 C12H18N2O 5.349 CCNCC(=O)NC1=C(C=CC=C1C)C InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15) WRMRXPASUROZGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00179 C9H9N3O2S2 5.367 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00180 C16H19N3O4S 5.367 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00181 C16H25NO2 5.367 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 KYYIDSXMWOZKMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0415_00182 C9H7N7O2S 5.367 CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13) LMEKQMALGUDUQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) Diarylthioethers (CHEMONTID:0003864) NA (NA) +0415_00183 C18H19NO4 5.367 CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3 YYCRAERBSFHMPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00184 C8H6N2O2 5.386 C1=CC=C2C(=C1)C(=O)NC(=O)N2 InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) SDQJTWBNWQABLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) NA (NA) +0415_00185 C15H23NO2 5.386 CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3 UWJUQVWARXYRCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0415_00186 C7H8O3S 5.399 CC1=CC=C(C=C1)S(=O)(=O)O InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) JOXIMZWYDAKGHI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) p-Methylbenzenesulfonates (CHEMONTID:0003278) NA (NA) +0415_00187 C12H18N 5.404 C[N+](C)(C)CC1=CC=C(C=C1)C=C InChI=1S/C12H18N/c1-5-11-6-8-12(9-7-11)10-13(2,3)4/h5-9H,1,10H2,2-4H3/q+1 WIKAJTNLVCYEQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00188 C14H23NO3 5.422 CCNCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C14H23NO3/c1-3-15-10-13(16)11-18-14-6-4-12(5-7-14)8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3 HYRRKPFGZHWUPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00189 C14H18N4O4 5.43 COC1=CC(=CC(=C1OC)OC)CC2=C(N=C(NC2=O)N)N InChI=1S/C14H18N4O4/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)17-14(16)18-13(8)19/h5-6H,4H2,1-3H3,(H5,15,16,17,18,19) FYJKTYLNKCUCLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00190 C17H19N3 5.459 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3 RONZAEMNMFQXRA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperazinoazepines (CHEMONTID:0002000) NA (NA) NA (NA) NA (NA) +0415_00191 C22H24N2O8 5.46 CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30) NWXMGUDVXFXRIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00192 C7H7NO3 5.477 C1=CC(=C(C=C1N)O)C(=O)O InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) WUBBRNOQWQTFEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00193 C13H24N4O3S 5.513 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00194 C11H11N3O2S 5.55 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00195 C17H27N3O4S 5.568 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0415_00196 C22H24N2O9 5.586 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1 OWFJMIVZYSDULZ-PXOLEDIWSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00197 C13H15N3O2 5.586 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17) OIAGWXKSCXPNNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00198 C15H18N4O5 5.588 CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22) NWIBSHFKIJFRCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolequinones (CHEMONTID:0000390) Mitomycins, mitosane and mitosene derivatives (CHEMONTID:0004096) Mitomycins (CHEMONTID:0000391) +0415_00199 C9H9NO3 5.59 CC(=O)NC1=CC=C(C=C1)C(=O)O InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) QCXJEYYXVJIFCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00200 C16H25N3O4S 5.619 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2O)N)S(=O)(=O)CC InChI=1S/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21) XBIBUXBARDPHCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0415_00201 C15H15NO4 5.619 C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19) KKCIOUWDFWQUBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00202 C12H14N2S 5.623 C1CC(CNC1)C2=NC3=CC=CC=C3S2 InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2 PXPKASSSZWCUJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00203 C12H13N3O2 5.623 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00204 C15H23NO 5.641 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3 JLICHNCFTLFZJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0415_00205 C16H19NO4 5.641 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0415_00206 C7H7NO 5.641 C1=CC=C(C=C1)C(=O)N InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00207 C14H24N2O4 5.65 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19) NENPYTRHICXVCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0415_00208 C15H23NO2 5.659 CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3 MMSWXJSQCAEDLK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0415_00209 C11H14N4O4S 5.666 CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3 ZDRFDHHANOYUTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0415_00210 C8H9NO2 5.683 CC(=O)NC1=CC(=CC=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10) QLNWXBAGRTUKKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00211 C9H19NO2 5.696 CC1(CC(CC(N1O)(C)C)O)C InChI=1S/C9H19NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11-12H,5-6H2,1-4H3 CSGAUKGQUCHWDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00212 C8H13NO3 5.699 CCC(C(=O)O)N1CCCC1=O InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12) IODGAONBTQRGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00213 C10H20N2 5.732 CCCCCCN1CN(C=C1)C InChI=1S/C10H20N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-9H,3-7,10H2,1-2H3 WGVGZVWOOMIJRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00214 C17H17N3O4S 5.75 CC1=C(C(=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OC)C(=O)O)OC InChI=1S/C17H17N3O4S/c1-9-14(18-7-11(16(21)22)15(9)24-3)8-25-17-19-12-5-4-10(23-2)6-13(12)20-17/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22) BNOSHBGSJBEMGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00215 C14H18N2O5 5.761 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0415_00216 C11H12N4O2S 5.769 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00217 C14H22N2O 5.769 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0415_00218 C43H74N2O14 5.771 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3 ACTOXUHEUCPTEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00219 C13H9N 5.776 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H DZBUGLKDJFMEHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0415_00220 C11H10N4O4 5.823 COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16) OVGGLBAWFMIPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinoxalines (CHEMONTID:0000486) NA (NA) +0415_00221 C16H20N4O4S 5.824 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22) WCYVLAMJCQZUCR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0415_00222 C18H24N2O5 5.842 CC(C(=O)C1CCCN1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O InChI=1S/C18H24N2O5/c1-12(16(21)15-8-5-11-20(15)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25) VPHZAKHKNGOIBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00223 C14H16N4O4 5.86 COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N InChI=1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18) GAAPPIKAFNZRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00224 C6H5N3 5.876 C1=CC2=NNN=C2C=C1 InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) QRUDEWIWKLJBPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00225 C8H9NO2 5.896 C1=CC=C(C=C1)NC(=O)CO InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11) PJFNNMFXEVADGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00226 C10H13N5O4 5.902 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18) HBOMLICNUCNMMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2',3'-dideoxyribonucleosides (CHEMONTID:0002182) NA (NA) NA (NA) +0415_00227 C13H10N2 5.903 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15) DWYHDSLIWMUSOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00228 C20H26N4O2 5.915 C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24) OQLKNTOKMBVBKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00229 C18H28N2O4 5.965 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00230 C12H22N6OP 5.969 CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1 InChI=1S/C12H22N6OP/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18/h7-10H,1-6H3/q+1 RROBIDXNTUAHFW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00231 C17H23NO 5.969 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3 JAQUASYNZVUNQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00232 C9H17N5O 5.981 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0415_00233 C14H15N 5.997 C1=CC=C(C=C1)CNCC2=CC=CC=C2 InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 BWLUMTFWVZZZND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00234 C14H12N2 6.061 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16) YJSWQFYMPODDTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00235 C14H22N2O2 6.079 CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3 XSVMFMHYUFZWBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0415_00236 C12H14N4O2S 6.115 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00237 C10H9N3O 6.124 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14) OUSYWCQYMPDAEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0415_00238 C16H20N 6.134 C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2 InChI=1S/C16H20N/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1 LNIYNESXCOYFPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00239 C29H31N7O 6.152 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) KTUFNOKKBVMGRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Benzanilides (CHEMONTID:0004713) +0415_00240 C16H17N3O2S 6.17 CC1=CNC(=C(C1=O)C)CSC2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)20)8-22-16-18-12-5-4-11(21-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19) LVUFHVGKGMRSQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00241 C20H23NO4 6.207 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3 MFXFQKMUCYHPFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0415_00242 C16H25NO2 6.207 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00243 C13H10N2O 6.225 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15) XWXMGTIHBYFTIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00244 C8H6N4O5 6.225 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14) NXFQHRVNIOXGAQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00245 C14H12N2O 6.225 COC1=CC=CC=C1C2=NC3=CC=CC=C3N2 InChI=1S/C14H12N2O/c1-17-13-9-5-2-6-10(13)14-15-11-7-3-4-8-12(11)16-14/h2-9H,1H3,(H,15,16) JNFBDHNAZPBWTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00246 C7H5NOS 6.233 C1=CC=C2C(=C1)C(=O)NS2 InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) DMSMPAJRVJJAGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00247 C15H23NO2 6.246 CNCC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3 VUMQHLSPUAFKKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00248 C38H72N2O12 6.249 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00249 C11H12N2O 6.261 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00250 C15H23NO2 6.316 COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3 SUQHIQRIIBKNOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00251 C16H25NO3 6.334 C[N+](C)(CC1CCCCC1(C2=CC(=CC=C2)OC)O)[O-] InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 HBXKSXMNNGHBEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00252 C12H14N2O2 6.353 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0415_00253 C13H20N4O3 6.425 CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3 NSMXQKNUPPXBRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00254 C16H25NO2 6.444 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00255 C17H19N3O3S 6.462 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0415_00256 C30H56N2O4 6.48 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3 RSOILICUEWXSLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00257 C22H24N2O8 6.499 CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31) SGKRLCUYIXIAHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tetracyclines (CHEMONTID:0000181) NA (NA) NA (NA) NA (NA) +0415_00258 C7H5NO3S2 6.5 C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11) ZCXGMSGCBDSEOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00259 C9H11NO2 6.508 CC(=O)NC1=CC=C(C=C1)OC InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11) XVAIDCNLVLTVFM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00260 C15H15N3 6.517 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 InChI=1S/C15H15N3/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15/h3-10H,1-2H3,(H,16,17) ZKBBGUJBGLTNEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Phenylbenzimidazoles (CHEMONTID:0000330) NA (NA) NA (NA) +0415_00261 C20H33N3O4 6.532 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00262 C28H52N2O4 6.572 CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3 XITRBUPOXXBIJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00263 C15H13N3O3S 6.579 COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) BEZZFPOZAYTVHN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0415_00264 C9H11NO2 6.608 CC(C(=O)NC1=CC=CC=C1)O InChI=1S/C9H11NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12) NXHFPNVCAZMTSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00265 C17H27NO2 6.626 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00266 C18H21NO 6.644 C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 ZMISODWVFHHWNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00267 C12H21N 6.653 CC12CC3CC(C1)(CC(C3)(C2)N)C InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3 BUGYDGFZZOZRHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00268 C12H15N3O3 6.663 CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) RAOCRURYZCVHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00269 C15H14N2O3 6.663 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20) PRGQOPPDPVELEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00270 C8H9NO 6.742 CC(=O)NC1=CC=CC=C1 InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) FZERHIULMFGESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00271 C21H19O2P 6.754 C1=CC=C(C=C1)[P+](CCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2 FLYPZWDELZKIOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00272 C10H13NO2 6.763 CC(C(=O)N(C)C1=CC=CC=C1)O InChI=1S/C10H13NO2/c1-8(12)10(13)11(2)9-6-4-3-5-7-9/h3-8,12H,1-2H3 YOZNZNZSJNNALS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00273 C13H19NO5S 6.763 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18) RVSCDWJKJDBFRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00274 C10H11N3O4S 6.772 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13) MJAMPGKHIZXVFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00275 C13H18N4O3 6.772 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0415_00276 C10H10N4O 6.783 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0415_00277 C11H12N2O2 6.827 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)O InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3 SKVPTPMWXJSBTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00278 C25H27N9O8S2 6.855 CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41) GCFBRXLSHGKWDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0415_00279 C18H22N2O2 6.882 CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3 BQXQGZPYHWWCEB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0415_00280 C7H8O2 6.955 COC1=CC=C(C=C1)O InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 NWVVVBRKAWDGAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0415_00281 C12H17NO2 6.973 CCN(CC)C(=O)C1=CC=CC(=C1)CO InChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11-7-5-6-10(8-11)9-14/h5-8,14H,3-4,9H2,1-2H3 FRZJZRVZZNTMAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00282 C7H7N3 7.021 CC1=CC2=NNN=C2C=C1 InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) LRUDIIUSNGCQKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00283 C12H19NO5S2 7.036 CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17) YMYKMSAZEZQEER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0415_00284 C16H19N3O6 7.046 CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22) HYFMSAFINFJTFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolequinones (CHEMONTID:0000390) Mitomycins, mitosane and mitosene derivatives (CHEMONTID:0004096) NA (NA) +0415_00285 C27H29NO11 7.064 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 AOJJSUZBOXZQNB-TZSSRYMLSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Anthracyclines (CHEMONTID:0002106) NA (NA) NA (NA) NA (NA) +0415_00286 C18H29NO3 7.064 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 NWIUTZDMDHAVTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0415_00287 C12H10N4O2 7.067 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) ZJTJUVIJVLLGSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0415_00288 C37H36N2O9S3 7.077 CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-] InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48) CTRXDTYTAAKVSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) Phenylbenzamines (CHEMONTID:0004204) NA (NA) +0415_00289 C12H14N4O4S 7.083 COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) PJSFRIWCGOHTNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00290 C10H8O3S 7.09 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) KVBGVZZKJNLNJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0415_00291 C9H8O3 7.099 CC(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12) QBHDSQZASIBAAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00292 C8H19OP 7.101 CC(C)(C)[PH+](C(C)(C)C)[O-] InChI=1S/C8H19OP/c1-7(2,3)10(9)8(4,5)6/h10H,1-6H3 RYLNFGJYRKJXQE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) Organophosphine oxides (CHEMONTID:0001309) NA (NA) NA (NA) +0415_00293 C20H20OP 7.101 C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20OP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1 VQNQTIUCMJTZGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00294 C17H22NO 7.137 C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2 InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1 AVWWVJUMXRXPNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00295 C15H14N2O2 7.19 C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) BMPDWHIDQYTSHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00296 C19H18P 7.192 C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1 AZFQCTBZOPUVOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00297 C22H21O2P 7.192 C1=CC=C(C=C1)[P+](CCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H21O2P/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2 WFPBWVIGMPXUGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00298 C12H11O2P 7.24 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)O InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14) BEQVQKJCLJBTKZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00299 C23H29N3O 7.242 C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2 YNZFUWZUGRBMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00300 C17H27NO3 7.246 C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 LASJEFFANGIOGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00301 C10H11N3O3S 7.246 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00302 C15H12N2O3 7.265 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20) XEEDURHPFVXALT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00303 C21H20OP 7.28 CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H20OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3/q+1 JNNWBCPZJMSRRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00304 C22H30N6O4S 7.283 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00305 C15H14N4O 7.301 CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) NQDJXKOVJZTUJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00306 C12H18O7 7.352 CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14) FWCBATIDXGJRMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0415_00307 C16H21NO2 7.356 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00308 C24H26N6O3 7.356 CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29) VTRAEEWXHOVJFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00309 C12H15NO3 7.356 CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O InChI=1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16) PXXLQQDIFVPNMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00310 C13H11N3O4S2 7.356 CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18) LZNWYQJJBLGYLT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00311 C9H11NO2 7.374 CC(=O)NC1=CC=CC=C1OC InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11) FGOFNVXHDGQVBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00312 C20H20P 7.392 CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1 GELSOTNVVKOYAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00313 C10H19N5O 7.392 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) ISEUFVQQFVOBCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Alkoxy-S-triazines (CHEMONTID:0004638) 2-methoxy-1,3,5-triazines (CHEMONTID:0004731) +0415_00314 C9H13NO2 7.402 C1CCC2(CC1)CC(=O)NC2=O InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12) BBZBYWMNNPPFKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0415_00315 C6H15O4P 7.406 CCO[P+]([O-])(OCC)OCC InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 DQWPFSLDHJDLRL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00316 C12H12NOP 7.411 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14) RIGIWEGXTTUCIQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00317 C25H30NO3 7.411 C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1 OYYDSUSKLWTMMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00318 C12H13N3O4S 7.411 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15) GXPIUNZCALHVBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00319 C16H24N2O 7.429 CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) WYWIFABBXFUGLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) Xylenols (CHEMONTID:0004212) NA (NA) +0415_00320 C24H29NO3 7.429 COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Benzylpiperidines (CHEMONTID:0003087) N-benzylpiperidines (CHEMONTID:0002622) NA (NA) +0415_00321 C22H23N3O4 7.429 COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) AAKJLRGGTJKAMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Benzodiazines (CHEMONTID:0004789) Quinazolines (CHEMONTID:0000485) Quinazolinamines (CHEMONTID:0002314) +0415_00322 C19H21NO 7.447 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0415_00323 C21H23NO2 7.447 CC(C)(C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24) DSPCPJFHUUUMEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00324 C15H26N 7.465 CCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C15H26N/c1-4-5-6-10-13-16(2,3)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1 OCRHPUCRAFNCMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00325 C14H12O6S 7.476 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) CXVGEDCSTKKODG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00326 C15H12N2O2 7.476 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19) VPZIYMMSJFWLSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00327 C27H29NO11 7.492 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1 AOJJSUZBOXZQNB-VTZDEGQISA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Anthracyclines (CHEMONTID:0002106) NA (NA) NA (NA) NA (NA) +0415_00328 C9H14O4 7.493 C1CCC(CC1)(CC(=O)O)C(=O)O InChI=1S/C9H14O4/c10-7(11)6-9(8(12)13)4-2-1-3-5-9/h1-6H2,(H,10,11)(H,12,13) SDAXMMUAZRUWNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0415_00329 C20H20OP 7.502 COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1 SDMCZCALYDCRBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00330 C12H24N2 7.538 CCCCCCCCN1CN(C=C1)C InChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3 KTUWFYALZIAAGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolines (CHEMONTID:0002490) Imidazolines (CHEMONTID:0000079) NA (NA) NA (NA) +0415_00331 C10H9NO2 7.557 C1=CC=C(C=C1)C2=NC(=CO2)CO InChI=1S/C10H9NO2/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2 FSDBXQYHHCUEIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Oxazoles (CHEMONTID:0000083) Phenyl-1,3-oxazoles (CHEMONTID:0004342) NA (NA) +0415_00332 C11H13N3O3S 7.557 CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 NHUHCSRWZMLRLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00333 C16H19NO 7.557 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3 AGSLYHYWLYGAOU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00334 C21H28N2O 7.575 CC[N+](CC)(CC1=CC=CC=C1)CC(=NC2=C(C=CC=C2C)C)[O-] InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3 ZFQMTVNLDNXRNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00335 C8H8O3 7.587 COC(=O)C1=CC=C(C=C1)O InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 LXCFILQKKLGQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0415_00336 C15H12N2O2 7.593 C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18) ZRWWEEVEIOGMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00337 C9H15NO 7.593 C1CCC2(CC1)CC(=O)NC2 InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) JAWPQJDOQPSNIQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0415_00338 C16H20N4O3S 7.633 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0415_00339 C10H12O5 7.633 COC1=CC(=CC(=C1OC)OC)C(=O)O InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) SJSOFNCYXJUNBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00340 C24H40N8O4 7.666 C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 IZEKFCXSFNUWAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0415_00341 C9H18N2O 7.696 CCNC(=O)NC1CCCCC1 InChI=1S/C9H18N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12) BBUVNFZPAAVCSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0415_00342 C9H11NO 7.709 CC1=CC=C(C=C1)NC(=O)C InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) YICAMJWHIUMFDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Acetanilides (CHEMONTID:0001846) NA (NA) +0415_00343 C21H22P 7.721 CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H22P/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1 PXIMQGSMXJFQOF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00344 C17H21NO 7.721 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00345 C21H20O2P 7.721 COC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H20O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1 WAUPCPBLQVSZQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00346 C7H14N2O2S 7.75 CC(C(=NOC(=O)NC)C)SC InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) SFNPDDSJBGRXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0415_00347 C7H5NOS 7.776 C1=CC=C2C(=C1)NC(=O)S2 InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YEDUAINPPJYDJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00348 C21H20P 7.786 C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C21H20P/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/q+1 UMOWYCSSGJQQHE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00349 C23H32N2O5 7.849 CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28) HDACQVRGBOVJII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00350 C37H67NO13 7.852 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00351 C8H8O3 7.88 COC(=O)C1=CC(=CC=C1)O InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3 YKUCHDXIBAQWSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) m-Hydroxybenzoic acid esters (CHEMONTID:0004699) +0415_00352 C15H12N2O2 7.917 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19) QQCFBZCATDIWTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00353 C21H18P 7.928 C#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C21H18P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2/q+1 GNEAAXYJEIDVFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00354 C9H13N 7.958 CCC1=CC=CC(=C1N)C InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3 JJVKJJNCIILLRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Aminotoluenes (CHEMONTID:0003964) NA (NA) +0415_00355 C24H26O2P 7.976 C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H26O2P/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24/h1-9,11-16,24H,10,17-20H2/q+1 MQHXAEFTZWVNDN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00356 C17H20N2S 7.995 CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 PWWVAXIEGOYWEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00357 C22H22O2P 8 CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H22O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1 BDBCCQWLFKVQRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00358 C8H9N3 8.012 CC1=CC2=NNN=C2C=C1C InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11) MVPKIPGHRNIOPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0415_00359 C8H19O4P 8.013 CCCCOP(=O)(O)OCCCC InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10) JYFHYPJRHGVZDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0415_00360 C14H10N4O2 8.027 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) USAWIVMZUYOXCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00361 C23H24O2P 8.086 CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H24O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1 RCMRLMJSJGLGEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00362 C12H14N4O4S 8.09 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0415_00363 C12H11O4P 8.14 C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2 InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14) ASMQGLCHMVWBQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphodiesters (CHEMONTID:0004618) +0415_00364 C20H13NO5 8.159 C1=CC2=C(C=C1N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2 GZAJOEGTZDUSKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0415_00365 C46H77NO17 8.178 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00366 C30H53N3O6 8.2 CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35) UXOWGYHJODZGMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0415_00367 C12H17NO4S 8.208 CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16) HOYCASTVMCEOTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00368 C13H18O3 8.21 CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15) UJHKVYPPCJBOSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00369 C21H28O6 8.232 CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CO)O InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3 NISVZEWKUNUGQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00370 C15H23NO5S 8.247 CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) CIGKZVUEZXGYSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0415_00371 C7H5NOS 8.264 C1=CC=C2C(=C1)NC(=S)O2 InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10) FLFWJIBUZQARMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxazoles (CHEMONTID:0000302) NA (NA) NA (NA) NA (NA) +0415_00372 C24H26O2P 8.303 COC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-26-24(25)19-11-12-20-27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3/q+1 NESMDKFCXPKLCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00373 C21H30O5 8.323 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00374 C15H22N2O6 8.323 CC1=C(C=C(C=C1)NC(=O)OCCOC)NC(=O)OCCOC InChI=1S/C15H22N2O6/c1-11-4-5-12(16-14(18)22-8-6-20-2)10-13(11)17-15(19)23-9-7-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18)(H,17,19) KRAWNIRAZIFPLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00375 C24H21NP 8.341 C1=CC=C(C=C1)[P+](CC2=CC=CC=N2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1 KAYCSCULGYYNFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00376 C21H39NO4 8.341 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3 OTCWVYFQGYOYJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Fatty acid methyl esters (CHEMONTID:0003417) NA (NA) +0415_00377 C10H13NO 8.341 CCNC(=O)C1=CC=CC(=C1)C InChI=1S/C10H13NO/c1-3-11-10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,11,12) FPINATACRXASTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0415_00378 C13H10O5 8.373 C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H WXNRYSGJLQFHBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00379 C21H28O5 8.396 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3 MFYSYFVPBJMHGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00380 C7H14N2O2S 8.404 CC(C)(C=NOC(=O)NC)SC InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10) QGLZXHRNAYXIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboximidic acids and derivatives (CHEMONTID:0002285) NA (NA) NA (NA) NA (NA) +0415_00381 C21H28O5 8.432 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00382 C18H19NOS 8.432 CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3 ZEUITGRIYCTCEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00383 C25H23NP 8.432 C1=CC=C(C=C1)[P+](CC2=CC=CC=C2N)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H23NP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20,26H2/q+1 ZWVVKPCCLZHUDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00384 C21H26O5 8.469 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00385 C8H9NO2 8.469 COC(=O)NC1=CC=CC=C1 InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) IAGUPODHENSJEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00386 C13H16O4 8.483 CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17) DIVLBIVDYADZPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00387 C13H12O3 8.5 CC(C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16) XWJUDDGELKXYNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthols and derivatives (CHEMONTID:0002441) NA (NA) NA (NA) +0415_00388 C13H9NO 8.5 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15) FZEYVTFCMJSGMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) Acridones (CHEMONTID:0001811) +0415_00389 C25H22NO2P 8.524 C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)N(O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H22NO2P/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20H2 MWQXAEMGVXFAFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00390 C27H38N2O4 8.542 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0415_00391 C8H8O2 8.542 CC1=CC=C(C=C1)C(=O)O InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) LPNBBFKOUUSUDB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00392 C12H15N3O2S 8.546 CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) HXHWSAZORRCQMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00393 C8H8O2 8.59 CC1=CC(=CC=C1)C(=O)O InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) GPSDUZXPYCFOSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0415_00394 C33H40N2O9 8.6 COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3 QEVHRUUCFGRFIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0415_00395 C24H20P 8.633 C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 USFPINLPPFWTJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00396 C23H36O7 8.636 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) TUZYXOIXSAXUGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0415_00397 C9H17N5S 8.651 CCNC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) RQVYBGPQFYCBGX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00398 C18H22O3 8.67 CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3 WPOCIZJTELRQMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00399 C14H15O2P 8.67 COCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3 OEPKDBQOTLDTNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00400 C16H13N3O3 8.672 COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21) OPXLLQIJSORQAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00401 C32H39NO4 8.7 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) RWTNPBWLLIMQHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00402 C25H22P 8.706 C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1 BNQRPLGZFADFGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00403 C20H23N 8.708 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0415_00404 C16H34O2P 8.761 CCCC[P+](CCCC)(CCCC)CC1OCCO1 InChI=1S/C16H34O2P/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16/h16H,4-15H2,1-3H3/q+1 UZFMTNNVUZWLQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dioxolanes (CHEMONTID:0000105) 1,3-dioxolanes (CHEMONTID:0001316) NA (NA) NA (NA) +0415_00405 C7H5NS 8.779 C1=CC=C2C(=C1)N=CS2 InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H IOJUPLGTWVMSFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00406 C14H9NO3 8.816 C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)O InChI=1S/C14H9NO3/c16-13-8-4-1-2-7-11(8)15-12-9(13)5-3-6-10(12)14(17)18/h1-7H,(H,15,16)(H,17,18) BATAOFZEDHPRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) Acridones (CHEMONTID:0001811) +0415_00407 C14H15OP 8.816 CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3 AKTGKEBIBGSCLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00408 C10H19N5OS 8.816 CCNC1=NC(=NC(=N1)S(=O)C)NC(C)(C)C InChI=1S/C10H19N5OS/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)17(5)16/h6H2,1-5H3,(H2,11,12,13,14,15) LMUNBZZRYCNYLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) 1,3,5-triazine-2,4-diamines (CHEMONTID:0004734) NA (NA) +0415_00409 C14H16N2O2 8.832 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 NPUKDXXFDDZOKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Carbonylimidazoles (CHEMONTID:0002529) +0415_00410 C24H26O2P 8.834 CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/q+1 FAAWALIHTWKRML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00411 C9H10O3 8.834 CCOC(=O)C1=CC=C(C=C1)O InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 NUVBSKCKDOMJSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0415_00412 C24H26O2P 8.85 CC(=O)OCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C24H26O2P/c1-21(25)26-19-11-12-20-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3/q+1 UGDNEIBQZNPTEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00413 C22H24P 8.852 CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H24P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3/q+1 BEVHTMLFDWFAQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00414 C38H69NO13 8.861 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00415 C33H30N4O2 8.861 CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) RMMXLENWKUUMAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00416 C9H11NO 8.87 CN(C)C1=CC=C(C=C1)C=O InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 BGNGWHSBYQYVRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoyl derivatives (CHEMONTID:0000321) NA (NA) NA (NA) +0415_00417 C15H12N2O 8.87 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00418 C42H69NO15 8.874 CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3 XJSFLOJWULLJQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00419 C14H15NO 8.957 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)O InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2 GXELTROTKVKZBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00420 C10H19NO4 8.999 CC(C)C(C(=O)O)NC(=O)OC(C)(C)C InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13) SZXBQTSZISFIAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00421 C22H30O5 9.016 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00422 C13H18N2O2 9.016 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0415_00423 C23H24P 9.017 CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C InChI=1S/C23H24P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,19H2,1-2H3/q+1 COVAQAPAQWRPGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00424 C17H30N 9.034 CCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1 SHFLYPPECXRCFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00425 C9H12O3 9.034 COC1=C(C(=CC=C1)OC)OC InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3 CRUILBNAQILVHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0415_00426 C14H15O4P 9.053 C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16) HDFFVHSMHLDSLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Dialkyl phosphates (CHEMONTID:0003459) +0415_00427 C13H16N2S 9.082 C1CCC(CC1)NC2=NC3=CC=CC=C3S2 InChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2,(H,14,15) UPWPIFMHSFSVLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00428 C7H5NS2 9.12 C1=CC=C2C(=C1)NC(=S)S2 InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YXIWHUQXZSMYRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00429 C19H34N 9.126 CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1 InChI=1S/C19H34N/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19/h10-14H,4-9,15-18H2,1-3H3/q+1 QSRFYFHZPSGRQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00430 C15H12N2O2 9.176 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0415_00431 C18H24N2 9.189 CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3 ZZMVLMVFYMGSMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) Phenylalkylamines (CHEMONTID:0003924) +0415_00432 C27H24O2P 9.196 C1=CC=C(C=C1)COC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C27H24O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2/q+1 LFNHHHWATWJWMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00433 C6H4N2O5 9.209 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0415_00434 C18H14N4O5S 9.217 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25) NCEXYHBECQHGNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azobenzenes (CHEMONTID:0003370) NA (NA) NA (NA) NA (NA) +0415_00435 C15H14N2O 9.235 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18) PHNLCHMJDSSPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0415_00436 C23H26N2 9.29 CN(C)C1C=CC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C=C1 InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,21H,1-4H3 GWSFLQARDQTLTO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00437 C22H22OP 9.296 CCOC(=C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1 JIZMJWKMHIWDGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00438 C23H26P 9.314 CC(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H26P/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20H,18-19H2,1-2H3/q+1 QKMNVQGPFDVZTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00439 C25H28N6O 9.345 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00440 C11H12N2OS 9.363 C1COCCN1C2=NC3=CC=CC=C3S2 InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2 VVUVJGRVEYHIHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00441 C14H15N3O5 9.381 CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3 JRURYQJSLYLRLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) NA (NA) NA (NA) +0415_00442 C13H10O4 9.396 C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H HTQNYBBTZSBWKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00443 C27H26OP 9.454 CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C27H26OP/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3/q+1 QCMHSYZNHGLMAU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00444 C12H27N 9.472 CCCCCCCCCCCCN InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 JRBPAEWTRLWTQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0415_00445 C21H26N2S2 9.472 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 KLBQZWRITKRQQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00446 C11H15NO3 9.472 CC(C)OC1=CC=CC=C1OC(=O)NC InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13) ISRUGXGCCGIOQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00447 C15H13NO3 9.499 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00448 C20H12O5 9.527 C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H GNBHRKFJIUUOQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0415_00449 C20H33NO 9.527 CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3 RYAUSSKQMZRMAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00450 C15H13N3O4S 9.527 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) QYSPLQLAKJAUJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0415_00451 C10H19N5S 9.527 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) AAEVYOVXGOFMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00452 C14H18N2O 9.545 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 PXWLVJLKJGVOKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0415_00453 C10H13NO4S 9.545 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12) DFWQXANLGSXMKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0415_00454 C8H18O4S 9.588 CCCCCCCCOS(=O)(=O)O InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11) UZZYXUGECOQHPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0415_00455 C9H14O2 9.655 C1CCC2(CC1)CC(=O)OC2 InChI=1S/C9H14O2/c10-8-6-9(7-11-8)4-2-1-3-5-9/h1-7H2 CKICBBJJCUQLPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0415_00456 C16H36P 9.655 CCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C16H36P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1 BJQWBACJIAKDTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00457 C21H25N 9.655 CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21 InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3 DOMXUEMWDBAQBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00458 C10H19N5S 9.673 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) IROINLKCQGIITA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00459 C28H28OP 9.728 C1=CC=C(C=C1)COCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 InChI=1S/C28H28OP/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21H,13,22-24H2/q+1 DHCHUVTYDKANGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00460 C12H15NO3 9.746 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) DUEPRVBVGDRKAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0415_00461 C10H11N3OS 9.783 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00462 C22H19N3O4 9.801 CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3 WOXKDUGGOYFFRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0415_00463 C8H10OS 9.802 CC1=C(C=CC(=C1)O)SC InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3 VKALYYFVKBXHTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Cresols (CHEMONTID:0001272) Meta cresols (CHEMONTID:0001273) NA (NA) +0415_00464 C17H26N2O6 9.91 CCOCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCOCC InChI=1S/C17H26N2O6/c1-4-22-8-10-24-16(20)18-14-7-6-13(3)15(12-14)19-17(21)25-11-9-23-5-2/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,20)(H,19,21) XCEPDLGXLQKFCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00465 C15H21NO4 9.915 CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19) LNOOSYCKMKZOJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00466 C15H13N3O2S 9.947 COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) HDDSHPAODJUKPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0415_00467 C20H23NO2 9.956 CC12CC=C3C(C1CCC2(CC#N)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3 LPEAVAOTAWKUPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 17-hydroxysteroids (CHEMONTID:0003236) NA (NA) +0415_00468 C27H35N6O8P 9.974 CCC(CC)COC(=O)C(C)N[P+]([O-])(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31) RWWYLEGWBNMMLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00469 C23H26N2 9.974 CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3 WZKXBGJNNCGHIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Triphenyl compounds (CHEMONTID:0004524) NA (NA) NA (NA) NA (NA) +0415_00470 C18H22O3 9.978 CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3 SWINWPBPEKHUOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00471 C24H20N6O3 10.001 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0415_00472 C17H21N5O9S2 10.025 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24) NIFKBBMCXCMCAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Sulfonylureas (CHEMONTID:0000490) Pyrimidinyl-2-sulfonylureas (CHEMONTID:0004705) NA (NA) +0415_00473 C12H11NO 10.034 C1=CC=C(C=C1)NC2=CC=C(C=C2)O InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H JTTMYKSFKOOQLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00474 C32H37NO4 10.045 CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36) XGHOVGYJHWQGCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00475 C13H18N2O4 10.056 CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC InChI=1S/C13H18N2O4/c1-4-18-12(16)14-10-7-6-9(3)11(8-10)15-13(17)19-5-2/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17) PHYURWGMBQTCSY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00476 C8H10O2 10.084 COC1=CC=C(C=C1)OC InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 OHBQPCCCRFSCAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0415_00477 C12H11NO2 10.147 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00478 C15H21NO4 10.17 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00479 C19H33NO2 10.17 CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3 KKGQTZUTZRNORY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0415_00480 C11H19N5S 10.202 CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) HDHLIWCXDDZUFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0415_00481 C13H16O3 10.239 CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16) RCINGEKPKJQCMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00482 C12H18N2O 10.257 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00483 C14H20N2O 10.259 C1CCC(CC1)NC(=O)NCC2=CC=CC=C2 InChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17) OOAFBZIRZNUNQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00484 C21H30O3 10.293 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3 BFZHCUBIASXHPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00485 C27H36N2O4 10.348 CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32) FAEKWTJYAYMJKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0415_00486 C19H34N 10.366 CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C19H34N/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19/h11-13,15-16H,4-10,14,17-18H2,1-3H3/q+1 UARILQSOMYIQCM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00487 C41H65NO10 10.391 CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3 SRJQTHAZUNRMPR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0415_00488 C9H19NO 10.403 CC1(CCCC(N1O)(C)C)C InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3 VUZNLSBZRVZGIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) NA (NA) NA (NA) NA (NA) +0415_00489 C18H24O2 10.403 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3 VOXZDWNPVJITMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00490 C18H26O2 10.421 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3 NPAGDVCDWIYMMC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00491 C12H17NO 10.421 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0415_00492 C19H39NO 10.439 CCCCCCCCCCCCCN1CC(OC(C1)C)C InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3 YTOPFCCWCSOHFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Oxazinanes (CHEMONTID:0000107) Morpholines (CHEMONTID:0000392) NA (NA) NA (NA) +0415_00493 C18H15OP 10.458 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H FIQMHBFVRAXMOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00494 C19H24O2 10.549 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3 BCWWDWHFBMPLFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00495 C21H22N2O5S 10.616 CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27) GPXLMGHLHQJAGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0415_00496 C9H9NO5 10.686 CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3 FBHJNBWUGONVNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Nitrobenzoic acids and derivatives (CHEMONTID:0001992) NA (NA) +0415_00497 C12H17NO3 10.768 CCOCCOC(=O)NC1=CC=C(C=C1)C InChI=1S/C12H17NO3/c1-3-15-8-9-16-12(14)13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14) QMIOFDKIBZZJLH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0415_00498 C19H24N2O2 10.768 C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2 FSVJFNAIGNNGKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrahydroisoquinolines (CHEMONTID:0002955) NA (NA) NA (NA) NA (NA) +0415_00499 C25H38O6 10.786 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CO InChI=1S/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3 ATPFRGQBOVFFQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0415_00500 C15H8O6 10.796 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) FCDLCPWAQCPTKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0415_00501 C19H17OP 10.822 C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H17OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2 NXGAOFONOFYCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00502 C14H15N3 10.83 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) HAORKNGNJCEJBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00503 C9H21O4P 10.873 CCCO[P+]([O-])(OCCC)OCCC InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3 RXPQRKFMDQNODS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00504 C16H14O3 10.877 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00505 C17H18N2O6 10.896 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 HYIMSNHJOBLJNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0415_00506 C23H40NO3 10.896 CCCCCCCCCCC(C(=O)C1=CC(=C(C=C1)OC)OC)[N+](C)(C)C InChI=1S/C23H40NO3/c1-7-8-9-10-11-12-13-14-15-20(24(2,3)4)23(25)19-16-17-21(26-5)22(18-19)27-6/h16-18,20H,7-15H2,1-6H3/q+1 WSBIWGAVHRAABE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00507 C14H14O3 10.907 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00508 C19H28O2 10.968 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3 MUMGGOZAMZWBJJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00509 C13H10O3 10.97 C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H ZXDDPOHVAMWLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00510 C13H14O5 10.987 COC1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3 JMFYZMAVUHNCPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acid esters (CHEMONTID:0003480) NA (NA) NA (NA) +0415_00511 C14H20N2O 11.026 CC1=CC=CC=C1NC(=O)NC2CCCCC2 InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H2,15,16,17) JYBQTDHFCBQLHP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00512 C25H34O6 11.041 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3 VOVIALXJUBGFJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0415_00513 C15H16N2O 11.062 CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2C InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18) WVYBLYKUAKXDLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0415_00514 C12H10O2 11.066 C1=CC=C(C=C1)OC2=CC=C(C=C2)O InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H ZSBDGXGICLIJGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00515 C18H22O5S 11.112 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22) JKKFKPJIXZFSSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Sulfated steroids (CHEMONTID:0001692) NA (NA) NA (NA) +0415_00516 C14H11NO5 11.114 CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 MIQPIUSUKVNLNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00517 C12H27OP 11.114 CCCCP(=O)(CCCC)CCCC InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3 MNZAKDODWSQONA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) Organophosphine oxides (CHEMONTID:0001309) NA (NA) NA (NA) +0415_00518 C20H26O2 11.133 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4 InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3 ICTXHFFSOAJUMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) NA (NA) NA (NA) +0415_00519 C18H22O2 11.224 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 DNXHEGUUPJUMQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00520 C22H38NO2 11.242 CCCCCCCCCCC(C(=O)OC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C22H38NO2/c1-5-6-7-8-9-10-11-15-18-21(22(24)25-4)23(2,3)19-20-16-13-12-14-17-20/h12-14,16-17,21H,5-11,15,18-19H2,1-4H3/q+1 WHJNEXRQUQOSGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00521 C22H38NO2 11.279 CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)OC)[N+](C)(C)C InChI=1S/C22H38NO2/c1-6-7-8-9-10-11-12-13-14-21(23(2,3)4)22(24)19-15-17-20(25-5)18-16-19/h15-18,21H,6-14H2,1-5H3/q+1 JMKAPSBUJQQULC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0415_00522 C24H29N5O3 11.443 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00523 C27H42NO2 11.461 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 SIYLLGKDQZGJHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00524 C20H30O2 11.57 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3 GCKMFJBGXUYNAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00525 C19H28O2 11.589 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 FMGSKLZLMKYGDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00526 C21H38N 11.589 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1 CYDRXTMLKJDRQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00527 C21H21OP 11.644 C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3 InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2 RDLZJCXTAYHYHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00528 C21H28O2 11.662 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3 CHNXZKVNWQUJIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0415_00529 C23H40NO2 11.716 CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H40NO2/c1-5-7-8-9-10-11-12-16-19-22(23(25)26-6-2)24(3,4)20-21-17-14-13-15-18-21/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3/q+1 UBHDSOZILBGALL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00530 C14H12O4 11.753 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3 MEZZCSHVIGVWFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00531 C43H51N3O11 11.765 CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53) NZCRJKRKKOLAOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolactams (CHEMONTID:0000064) NA (NA) NA (NA) NA (NA) +0415_00532 C13H25NO 11.775 CCNC(=O)C1CC(CCC1C(C)C)C InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15) VUNOFAIHSALQQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0415_00533 C15H14O3 11.788 CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) RDJGLLICXDHJDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00534 C21H30O3 11.808 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3 DBPWSSGDRRHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00535 C11H19NOS 11.855 CCCCCCCCN1C(=O)C=CS1 InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3 JPMIIZHYYWMHDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) NA (NA) NA (NA) +0415_00536 C18H28N2O3 11.936 CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22) NWUWYYSKZYIQAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00537 C22H40NO 12.027 CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1 InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1 YXUPZGKORWTXID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0415_00538 C21H28O2 12.063 CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3 WWYNJERNGUHSAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0415_00539 C27H29N5O6S 12.118 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) GJPICJJJRGTNOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Bipyrimidines and oligopyrimidines (CHEMONTID:0001978) NA (NA) +0415_00540 C8H7NS2 12.209 CSC1=NC2=CC=CC=C2S1 InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 UTBVIMLZIRIFFR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00541 C36H30NP2 12.265 C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 InChI=1S/C36H30NP2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+1 FXCZFAOTGUCDBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00542 C28H44NO2 12.282 CC1=C(C=CC(=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C InChI=1S/C28H44NO2/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24/h9-15,20H,16-19,21-22H2,1-8H3/q+1 ULBZAXDVMDGCJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0415_00543 C18H20N2O6 12.373 CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3 PVHUJELLJLJGLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) Dihydropyridinecarboxylic acids and derivatives (CHEMONTID:0001562) +0415_00544 C14H26O2 12.4 CC(C)CC(C)(C#CC(C)(CC(C)C)O)O InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3 LXOFYPKXCSULTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Alpha,beta-unsaturated carbonyl compounds (CHEMONTID:0003131) Alpha,beta-unsaturated ketones (CHEMONTID:0003672) +0415_00545 C9H6N2S3 12.417 C1=CC=C2C(=C1)N=C(S2)SCSC#N InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2 TUBQDCKAWGHZPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00546 C12H15N 12.497 CC1=CC(NC2=CC=CC=C12)(C)C InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3 ZNRLMGFXSPUZNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) Hydroquinolones (CHEMONTID:0001716) NA (NA) +0415_00547 C22H32O3 12.524 CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3 FRQMUZJSZHZSGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00548 C17H21NO2 12.596 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3 WXZVAROIGSFCFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00549 C15H12O2 12.61 C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 ZONYXWQDUYMKFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0415_00550 C22H46NO7P 12.658 CCCCCCCCCCCCCC(=O)OCC(CO[P+]([O-])([O-])OCC[N+](C)(C)C)O InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3 VXUOFDJKYGDUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0415_00551 C37H48N6O5S2 12.676 CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46) NCDNCNXCDXHOMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00552 C15H14O5 12.683 COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3 SODJJEXAWOSSON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00553 C23H42NO 12.702 CCCCCCCCCCCCOCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42NO/c1-4-5-6-7-8-9-10-11-12-16-20-25-21-19-24(2,3)22-23-17-14-13-15-18-23/h13-15,17-18H,4-12,16,19-22H2,1-3H3/q+1 SWTCNSQVRSSFNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00554 C23H42N 12.775 CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1 WNBGYVXHFTYOBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00555 C15H17O4P 12.828 CC(C)O[P+]([O-])(OC1=CC=CC=C1)OC2=CC=CC=C2 InChI=1S/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3 YDICVVYPXSZSFA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00556 C13H18O2 12.85 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0415_00557 C15H22O4 12.884 CCC(CCC(C)O)COC(=O)C1=CC=CC=C1O InChI=1S/C15H22O4/c1-3-12(9-8-11(2)16)10-19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,16-17H,3,8-10H2,1-2H3 GBHBFLJCRCERFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) o-Hydroxybenzoic acid esters (CHEMONTID:0004700) +0415_00558 C10H19O6PS2 12.939 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 JXSJBGJIGXNWCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0415_00559 C21H39N 12.994 CCCCCCCCCCCCCCCCN1CC=CC=C1 InChI=1S/C21H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20H,2-14,16,19,21H2,1H3 HWFVEGMPSKKDQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Dihydropyridines (CHEMONTID:0000367) NA (NA) +0415_00560 C13H10O2 13.03 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H HJIAMFHSAAEUKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00561 C17H19NO4 13.067 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0415_00562 C20H22N4O6S 13.085 COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27) HMCCXLBXIJMERM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) Diarylthioethers (CHEMONTID:0003864) NA (NA) +0415_00563 C19H20N2O2 13.103 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00564 C12H9NS 13.113 C1=CC=C2C(=C1)NC3=CC=CC=C3S2 InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H WJFKNYWRSNBZNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0415_00565 C19H22N2O3 13.184 CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22) WXUZAHCNPWONDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0415_00566 C25H30O3 13.267 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5 InChI=1S/C25H30O3/c1-25-12-11-20-19-10-8-18(28-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)24(25)27/h2-6,8,10,13,20-24,26-27H,7,9,11-12,14-15H2,1H3 GDUPBUZZJUIEDX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00567 C14H12O3 13.504 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 DXGLGDHPHMLXJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00568 C27H48NO2 13.596 CCCCCCCCCCC(C(=O)OCCCCCC)[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C27H48NO2/c1-5-7-9-11-12-13-14-18-22-26(27(29)30-23-19-10-8-6-2)28(3,4)24-25-20-16-15-17-21-25/h15-17,20-21,26H,5-14,18-19,22-24H2,1-4H3/q+1 BDTUDUVSLLJWQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00569 C18H15NO2 13.596 CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 IAJNXBNRYMEYAZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00570 C16H11NO2 13.705 C1=CC=C(C=C1)C(=C(C#N)C(=O)O)C2=CC=CC=C2 InChI=1S/C16H11NO2/c17-11-14(16(18)19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H,18,19) VSXIZXFGQGKZQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00571 C24H34O4 13.723 CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3 PSGAAPLEWMOORI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00572 C9H9NS2 13.742 CCSC1=NC2=CC=CC=C2S1 InChI=1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3 HKIQFQKRAQSUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00573 C21H30O2 13.796 CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3 RJKFOVLPORLFTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0415_00574 C24H27NO3 13.815 CCC(CCC(C)O)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C24H27NO3/c1-3-19(15-14-18(2)26)17-28-24(27)22(16-25)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,26H,3,14-15,17H2,1-2H3 QOJGFAVCVCFMKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00575 C11H12N2OS3 13.833 C1COCCN1SSC2=NC3=CC=CC=C3S2 InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2 QRYFCNPYGUORTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0415_00576 C15H14N2O6 13.85 CC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-] InChI=1S/C15H14N2O6/c1-15(2,9-3-5-13(18)11(7-9)16(20)21)10-4-6-14(19)12(8-10)17(22)23/h3-8,18-19H,1-2H3 LISYARSNTHASDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0415_00577 C10H12N2O5 13.854 CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3 IIPZYDQGBIWLBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0415_00578 C12H27O4P 13.862 CCCCO[P+]([O-])(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00579 C25H46N 13.869 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1 QDYLMAYUEZBUFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00580 C12H27O4P 14.015 CC(C)CO[P+]([O-])(OCC(C)C)OCC(C)C InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3 HRKAMJBPFPHCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00581 C18H15O4P 14.07 C1=CC=C(C=C1)O[P+]([O-])(OC2=CC=CC=C2)OC3=CC=CC=C3 InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H XZZNDPSIHUTMOC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00582 C22H21O2P 14.088 CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3 VFHVQBAGLAREND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0415_00583 C21H26N2O 14.103 C1CCC(CC1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 InChI=1S/C21H26N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24) QAVDMLYEKOVQPL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00584 C10H14NO5PS 14.107 CCO[P+](OCC)(OC1=CC=C(C=C1)[N+](=O)[O-])[S-] InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 LCCNCVORNKJIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0415_00585 C15H10O2 14.18 C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H NFBAXHOPROOJAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) Indanones (CHEMONTID:0001151) Indanediones (CHEMONTID:0000040) NA (NA) +0415_00586 C16H35O2P 14.45 CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O InChI=1S/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18) QUXFOKCUIZCKGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) NA (NA) NA (NA) NA (NA) NA (NA) +0415_00587 C18H15PS 14.508 C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)[S-] InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H VYNGFCUGSYEOOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00588 C12H21N2O3PS 14.526 CCO[P+](OCC)(OC1=NC(=NC(=C1)C)C(C)C)[S-] InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3 FHIVAFMUCKRCQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Pyrimidinyl phosphorothioates (CHEMONTID:0004771) +0415_00589 C30H24O12 14.542 C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1 InChI=1S/C30H24O12/c31-25-19-1-2-20(4-3-19)26(32)38-15-16-40-28(34)22-9-11-24(12-10-22)30(36)42-18-17-41-29(35)23-7-5-21(6-8-23)27(33)39-14-13-37-25/h1-12H,13-18H2 IICRGUKQYYOPIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Phthalic acid and derivatives (CHEMONTID:0001105) Phthalate esters (CHEMONTID:0004009) +0415_00590 C21H26O2 14.544 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3 IMSSROKUHAOUJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0415_00591 C18H16N2 14.544 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3 InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H UTGQNNCQYDRXCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0415_00592 C18H26N2O4 14.611 CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C InChI=1S/C18H26N2O4/c1-5-23-16(21)14-7-6-8-15(13-14)19-9-11-20(12-10-19)17(22)24-18(2,3)4/h6-8,13H,5,9-12H2,1-4H3 CCLGNFZMWMCRCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazinanes (CHEMONTID:0002389) Piperazines (CHEMONTID:0000189) Phenylpiperazines (CHEMONTID:0001984) NA (NA) +0415_00593 C18H39O7P 14.631 CCCCOCCO[P+]([O-])(OCCOCCCC)OCCOCCCC InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3 WTLBZVNBAKMVDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) +0415_00594 C18H11NO3 14.718 C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=CC=CC=C4C3=O)O InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H FDTLQXNAPKJJAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) Indanones (CHEMONTID:0001151) Indanediones (CHEMONTID:0000040) NA (NA) +0415_00595 C19H24O3 14.861 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3 SMKRKQBMYOFFMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0415_00596 C26H56P 14.891 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C26H56P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4/h5-26H2,1-4H3/q+1 YCBRTSYWJMECAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00597 C12H26O4S 14.914 CCCCCCCCCCCCOS(=O)(=O)O InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15) MOTZDAYCYVMXPC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0415_00598 C24H50NO7P 14.942 CCCCCCCCCCCCCCCC(=O)OCC(CO[P+]([O-])([O-])OCC[N+](C)(C)C)O InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3 ASWBNKHCZGQVJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Lysophosphatidylcholines (CHEMONTID:0001413) 1-acyl-sn-glycero-3-phosphocholines (CHEMONTID:0001638) +0415_00599 C27H50N 14.946 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1 FWLORMQUOWCQPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0415_00600 C13H11N3O 15.201 CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 MCPKSFINULVDNX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,3-triazoles (CHEMONTID:0003315) +0415_00601 C29H56NO10P 15.246 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)O InChI=1S/C29H56NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(33)37-24-26(40-29(34)21-18-19-27(31)32)25-39-41(35,36)38-23-22-30(2,3)4/h26H,5-25H2,1-4H3,(H-,31,32,35,36) CDZVJFRXJAUXPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) Phosphatidylcholines (CHEMONTID:0001408) NA (NA) +0415_00602 C18H20N2O3 15.402 CCC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OCC InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22) YIMHRDBSVCPJOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00603 C25H38O5 15.438 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0415_00604 C14H21NOS 15.467 CCCN(CCC)C(=O)SCC1=CC=CC=C1 InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 NQLVQOSNDJXLKG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00605 C19H17NOS 15.53 CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2 InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3 FUSNMLFNXJSCDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0415_00606 C21H21O4P 15.788 CC(C)C1=CC=CC=C1O[P+]([O-])(OC2=CC=CC=C2)OC3=CC=CC=C3 InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3 JJXNVYMIYBNZQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00607 C30H24O8P2 15.87 C1=CC=C(C=C1)O[P+]([O-])(OC2=CC=CC=C2)OC3=CC(=CC=C3)O[P+]([O-])(OC4=CC=CC=C4)OC5=CC=CC=C5 InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H OWICEWMBIBPFAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00608 C21H21O4P 15.924 CC1=CC=C(C=C1)O[P+]([O-])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3 BOSMZFBHAYFUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00609 C19H30O5 15.985 CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 RPWFJAMTCNSJKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0415_00610 C28H60P 16.04 CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC InChI=1S/C28H60P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1 OKBQUWUVZGPEQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00611 C19H26O3 16.132 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 ZCVAOQKBXKSDMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Pyrethroids (CHEMONTID:0001461) NA (NA) +0415_00612 C17H29NO3S 16.132 CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)O InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3 CSPPKDPQLUUTND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0415_00613 C50H75NO14 16.157 CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)C)C InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52) ZKWQQXZUCOBISE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0415_00614 C13H19N3O4 16.198 CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0415_00615 C32H68P 16.405 CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC InChI=1S/C32H68P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1 WFIYFFUAOQKJJS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00616 C20H27O4P 16.989 CCCCC(CC)CO[P+]([O-])(OC1=CC=CC=C1)OC2=CC=CC=C2 InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 CGSLYBDCEGBZCG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00617 C32H68P 17.125 CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC InChI=1S/C32H68P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-32H2,1-4H3/q+1 PYVOHVLEZJMINC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Tetraalkylphosphonium compounds (CHEMONTID:0004327) NA (NA) NA (NA) NA (NA) +0415_00618 C24H27O4P 17.429 CC(C)C1=CC=CC=C1O[P+]([O-])(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C InChI=1S/C24H27O4P/c1-18(2)21-14-8-10-16-23(21)27-29(25,26-20-12-6-5-7-13-20)28-24-17-11-9-15-22(24)19(3)4/h5-19H,1-4H3 RMNODSGCFHVNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00619 C24H28O2 17.591 CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) NAVMQTYZDKMPEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0415_00620 C24H27NO2 17.664 CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 FMJSMJQBSVNSBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00621 C39H34O8P2 17.714 CC(C)(C1=CC=C(C=C1)O[P+]([O-])(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)O[P+]([O-])(OC5=CC=CC=C5)OC6=CC=CC=C6 InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3 BQPNUOYXSVUVMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00622 C20H30O4 18.102 CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 KCXZNSGUUQJJTR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0415_00623 C27H33O4P 18.874 CC(C)C1=CC=C(C=C1)O[P+]([O-])(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3 ANVREEJNGJMLOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Aryl phosphates (CHEMONTID:0004616) Aryl phosphotriesters (CHEMONTID:0004619) +0415_00624 C21H26O3 19.014 CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3 QUAMTGJKVDWJEQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0415_00625 C20H25N3O 19.562 CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 IYAZLDLPUNDVAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) Phenyltriazoles (CHEMONTID:0002183) Phenyl-1,2,3-triazoles (CHEMONTID:0003315) +0415_00626 C36H62O11 20.39 CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40) GAOZTHIDHYLHMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Heterocyclic fatty acids (CHEMONTID:0001989) NA (NA) +0415_00627 C40H68O11 21.24 CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43) DANUORFCFTYTSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0415_00628 C9H11NO3 2.614 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0415_00629 C19H42N 12.775 CCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1 RLGQACBPNDBWTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00630 C13H24N2O 10.759 C1CCC(CC1)NC(=O)NC2CCCCC2 InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) ADFXKUOMJKEIND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) NA (NA) NA (NA) +0415_00631 C8H20N 2.284 CC[N+](CC)(CC)CC InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1 CBXCPBUEXACCNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00632 C13H12N2O 10.768 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) GWEHVDNNLFDJLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00633 C15H34N 10.001 CCCCCCCCCCCC[N+](C)(C)C InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1 VICYBMUVWHJEFT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00634 C21H46N 13.997 CCCCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1 PDSVZUAJOIQXRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00635 C16H35N 11.365 CCCCCCCCCCCCCCN(C)C InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3 SFBHPFQSSDCYSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) +0415_00636 C10H22O5 6.006 COCCOCCOCCOCCOC InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3 ZUHZGEOKBKGPSW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Dialkyl ethers (CHEMONTID:0001167) NA (NA) +0415_00637 C12H28N 5.568 CCC[N+](CCC)(CCC)CCC InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1 OSBSFAARYOCBHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00638 C5H9NO 4.39 CN1CCCC1=O InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 SECXISVLQFMRJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00639 C17H38N 11.497 CCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1 GLFDLEXFOHUASB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00640 C34H72N 18.376 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC InChI=1S/C34H72N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-34H2,1-4H3/q+1 SWSFKKWJEHRFFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00641 C16H36N 8.907 CCCC[N+](CCCC)(CCCC)CCCC InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1 DZLFLBLQUQXARW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00642 C22H48N 13.395 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1 JGFDZZLUDWMUQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00643 C20H44N 11.279 CCCCC[N+](CCCCC)(CCCCC)CCCCC InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1 GJSGYPDDPQRWPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00644 C6H14NO 1.307 C[N+](C)(C)CC1CO1 InChI=1S/C6H14NO/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/q+1 LRQFRDLKOBFOSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00645 C26H56N 15.329 CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC InChI=1S/C26H56N/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3/q+1 QQJDHWMADUVRDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00646 C23H50N 15.717 CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C InChI=1S/C23H50N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)4/h5-23H2,1-4H3/q+1 IVYJQUYTOJAORN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00647 C30H64N 16.898 CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC InChI=1S/C30H64N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-30H2,1-4H3/q+1 CJBMLKNLJXFFGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00648 C12H25NO 13.577 CCCCCCCCCC(=O)N(C)C InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3 HNXNKTMIVROLTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty amides (CHEMONTID:0000331) N-acyl amines (CHEMONTID:0001096) NA (NA) +0415_00649 C20H44N 13.03 CCCCCCCCCCCCCCCC[N+](C)(C)CC InChI=1S/C20H44N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2/h5-20H2,1-4H3/q+1 VCAVAURZPNANDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00650 C13H30N 7.009 CCCC[N+](C)(CCCC)CCCC InChI=1S/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1 HJHUXWBTVVFLQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00651 C20H44N 12.371 CCCCCCCCCC[N+](C)(C)CCCCCCCC InChI=1S/C20H44N/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2/h5-20H2,1-4H3/q+1 JVCWUSHFUPUBHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00652 C18H40N 11.669 CCCCCCCC[N+](C)(C)CCCCCCCC InChI=1S/C18H40N/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/q+1 MELGLHXCBHKVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00653 C17H21NO2 8.07 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-] InChI=1S/C17H21NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 OEQNVWKWQPTBSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0415_00654 C24H52N 13.103 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC InChI=1S/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1 DTIFFPXSSXFQCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00655 C28H60N 14.727 CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC InChI=1S/C28H60N/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-28H2,1-4H3/q+1 YFZDLRVCXDBOPH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00656 C21H44N 13.666 CCCCCCCCC=CCCCCCCCC[N+](C)(C)C InChI=1S/C21H44N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h12-13H,5-11,14-21H2,1-4H3/q+1 QYWVQMLYIXYLRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00657 C12H27P 5.221 CC(C)(C)P(C(C)(C)C)C(C)(C)C InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3 BWHDROKFUHTORW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organic phosphines and derivatives (CHEMONTID:0000401) NA (NA) NA (NA) NA (NA) +0415_00658 C38H60O18 8.074 CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3 UEDUENGHJMELGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) Steviol glycosides (CHEMONTID:0001756) +0415_00659 C32H68N 16.186 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC InChI=1S/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1 CHYBTAZWINMGHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00660 C12H23NO 12.596 CCCCCCCCN1CCCC1=O InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3 WPPOGHDFAVQKLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) N-alkylpyrrolidines (CHEMONTID:0003449) NA (NA) NA (NA) +0415_00661 C17H38N 9.57 CCCCC[N+](CCCC)(CCCC)CCCC InChI=1S/C17H38N/c1-5-9-13-17-18(14-10-6-2,15-11-7-3)16-12-8-4/h5-17H2,1-4H3/q+1 YDZKVIKDXBFPMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Tetraalkylammonium salts (CHEMONTID:0004225) NA (NA) +0415_00662 C12H10OP 8.031 C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2 InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1 YFPJFKYCVYXDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0415_00663 C22H23O3PS 7.137 C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2 RKQKXPDRWYNUGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00664 C23H23O2P 7.21 C1=CC=C(C=C1)[P+](CCCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C23H23O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2 CPVNCBJFUQQXSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0415_00665 C15H10O7 8.074 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0415_00666 C7H16NO2 2.065 CC(=O)OCC[N+](C)(C)C InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 OIPILFWXSMYKGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Quaternary ammonium salts (CHEMONTID:0000503) Cholines (CHEMONTID:0001012) Acyl cholines (CHEMONTID:0000386) +0415_00667 C15H12N2O2 8.323 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) diff --git a/processed_data/0415/0415_validation_qspr_outliers.tsv b/processed_data/0415/0415_validation_qspr_outliers.tsv new file mode 100644 index 000000000..35f76ac52 --- /dev/null +++ b/processed_data/0415/0415_validation_qspr_outliers.tsv @@ -0,0 +1,37 @@ +id error +0415_00050 2.855881739756045 +0415_00068 2.956710900656347 +0415_00088 5.040583927537375 +0415_00103 4.5190105492258885 +0415_00141 2.7245791018500354 +0415_00163 4.628931263810062 +0415_00218 2.834150753490687 +0415_00219 3.8664852438391755 +0415_00228 2.7656829951049344 +0415_00256 5.022228091590048 +0415_00262 3.7868138624541894 +0415_00321 5.225474493033676 +0415_00376 3.51669226306144 +0415_00427 3.117224434811904 +0415_00431 4.2288224137684 +0415_00476 3.1797336592802283 +0415_00487 3.2428968196770747 +0415_00496 2.9434891011271906 +0415_00500 4.96664527513875 +0415_00546 5.045495792868698 +0415_00552 2.746845551288187 +0415_00562 5.095541080752949 +0415_00564 2.93605120997349 +0415_00585 3.2900053261519417 +0415_00587 2.8683569990351057 +0415_00590 3.00982900096397 +0415_00591 5.903301224183068 +0415_00592 4.117985595857325 +0415_00594 5.209134282768444 +0415_00600 3.512822680685076 +0415_00602 4.99559595419627 +0415_00604 3.650129373440649 +0415_00613 3.201986464458015 +0415_00626 7.291243419830437 +0415_00657 6.376671175227425 +0415_00658 3.3634283794526514 diff --git a/processed_data/0416/0416_descriptors_canonical_success.tsv b/processed_data/0416/0416_descriptors_canonical_success.tsv new file mode 100644 index 000000000..d3c1d37d7 --- /dev/null +++ b/processed_data/0416/0416_descriptors_canonical_success.tsv @@ -0,0 +1,76 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs 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4,60,129,134,148,201,226,278,304,347,353,362,508,514,515,549,550,578,626,627,640,666,705,712,735,764,778,825,850,858,881,931,948,968,990,999 +0416_00006 4,9,15,30,35,89,98,110,128,134,153,170,197,210,215,220,223,243,245,260,299,303,311,316,320,335,336,347,353,359,369,385,392,399,435,438,446,461,469,473,486,508,512,513,515,547,549,550,554,555,562,570,573,579,618,626,628,640,660,661,683,687,701,705,709,719,724,727,734,736,748,772,778,783,785,787,791,793,816,827,863,882,899,936,948,968,970,974,978,994,1017 +0416_00007 1,4,15,120,134,151,194,209,211,220,295,313,326,347,368,376,402,405,515,549,601,622,653,654,705,778,819,823,829,867,898,938,948,959,968,983,1022 +0416_00008 20,29,37,53,68,72,77,93,134,141,163,261,298,304,330,353,354,361,508,515,550,551,578,620,626,637,640,676,712,713,727,733,741,763,825,850,947,952,955,968 +0416_00009 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0416_00010 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0416_00011 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0416_00012 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0416_00013 3,8,14,15,20,26,30,60,73,89,94,134,135,139,151,153,154,161,167,169,170,184,185,193,198,220,222,238,244,245,260,267,285,287,289,321,326,347,348,363,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,642,651,656,677,689,696,698,710,711,719,727,733,760,770,772,790,804,805,819,822,831,838,872,878,883,885,915,916,922,934,936,938,948,956,963,965,968,974,978,980,995,1006,1009,1010,1014,1022 +0416_00014 8,14,15,20,26,27,30,34,35,44,60,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,252,260,267,274,282,285,289,311,320,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,477,479,482,494,495,499,508,562,565,572,604,608,626,630,635,636,651,656,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,863,872,883,915,916,936,938,939,948,956,964,968,974,980,995,1009,1010,1014,1022 +0416_00015 8,14,15,20,26,27,30,34,44,60,73,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,240,252,260,267,274,282,285,289,311,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,479,482,494,495,499,508,562,565,572,576,604,608,626,630,635,636,651,656,660,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,872,883,915,916,936,938,948,956,964,968,974,980,995,1009,1010,1014,1022 +0416_00016 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0416_00017 15,16,17,33,83,89,114,134,245,256,260,290,335,347,353,364,394,435,461,481,505,508,515,523,529,549,550,560,626,640,661,666,676,683,717,750,759,778,801,812,826,827,874,918,925,936,947,948,950,958,968,980 +0416_00018 15,16,17,26,73,89,93,131,134,138,144,153,170,220,245,303,311,326,327,330,335,346,347,353,369,379,435,438,461,472,473,500,505,508,514,515,527,529,550,562,597,626,640,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,797,798,811,827,835,905,918,922,935,936,947,968,970,974,1006,1007 +0416_00019 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0416_00020 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0416_00021 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0416_00022 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,417,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0416_00023 9,15,30,54,73,89,92,134,153,158,159,167,168,223,226,245,284,295,311,326,327,328,330,335,353,359,361,369,374,381,384,438,446,461,476,508,513,515,550,554,562,569,570,573,587,617,626,640,683,711,719,748,772,783,791,816,836,860,889,894,899,921,936,941,968,970,974,978,992,1004 +0416_00024 9,15,54,73,89,92,134,139,153,158,167,168,200,223,245,284,295,311,326,327,328,330,335,353,369,374,384,438,446,461,499,508,513,515,550,554,562,569,570,573,587,617,619,620,626,640,676,683,711,719,733,748,783,791,816,860,889,894,899,921,936,941,947,968,974,978,992,1004,1016 +0416_00025 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0416_00026 14,15,58,89,106,134,175,226,237,245,320,332,371,438,444,453,508,524,547,606,650,662,663,686,702,772,836,929,947,948,1018 +0416_00027 10,14,15,49,76,89,134,153,175,199,207,237,245,264,320,371,438,453,508,524,540,570,640,658,662,663,677,686,694,741,764,772,794,802,816,836,881,948,953,978,1006 +0416_00028 42,74,134,153,173,192,226,245,274,328,353,400,434,437,452,459,461,465,466,508,524,544,550,566,568,626,640,657,714,717,748,933,968,997 +0416_00029 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0416_00030 4,15,16,17,21,73,89,118,133,134,153,170,178,195,220,223,245,284,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,549,562,597,626,640,648,660,661,676,683,705,707,719,724,748,750,753,759,778,787,791,798,807,827,856,872,918,935,936,947,948,968,974,984,996,1006 +0416_00031 15,16,17,21,73,89,118,131,134,138,144,153,170,195,220,245,303,311,326,327,330,335,346,347,350,353,369,419,435,438,461,472,473,500,505,508,514,515,529,550,562,588,591,597,626,640,648,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,798,811,827,872,905,918,935,936,947,968,970,974,996,1006 +0416_00032 15,17,44,73,89,129,134,206,226,245,264,282,334,353,362,369,381,405,444,461,476,503,508,515,529,534,540,550,575,624,626,636,637,640,657,661,676,683,735,750,759,796,844,904,947,962,968,979,991 +0416_00033 13,15,44,68,73,89,111,128,129,134,200,206,245,259,260,264,268,269,282,316,334,347,353,362,405,425,461,505,508,515,534,540,549,550,575,620,624,626,640,657,661,676,683,733,778,796,827,947,948,951,962,968,1023 +0416_00034 9,15,41,73,89,92,134,139,153,158,168,170,174,193,200,220,223,245,254,311,326,327,328,330,335,346,347,369,374,381,435,438,446,449,461,473,499,508,513,515,550,554,562,570,573,587,597,617,619,620,626,640,660,676,681,683,705,711,719,724,733,748,780,783,787,790,791,792,860,894,899,905,921,936,941,947,968,974,978,992,1016 +0416_00035 9,15,34,73,89,95,134,139,153,158,167,170,193,200,220,223,245,252,311,326,327,328,330,335,346,347,369,435,438,446,461,473,499,508,510,513,515,550,554,562,570,573,597,619,620,626,640,660,676,683,705,711,719,724,733,748,787,790,791,792,795,899,905,936,947,965,968,970,974,978,1014,1016 +0416_00036 15,21,35,89,128,134,170,195,210,215,219,220,245,260,299,311,316,320,330,335,347,350,353,395,419,435,438,442,461,464,473,481,486,499,500,508,515,550,562,620,626,628,640,648,661,676,683,687,697,701,719,724,727,733,741,748,753,780,793,798,827,863,872,918,936,947,948,968,974,996 +0416_00037 15,16,17,21,73,89,126,134,153,154,170,173,195,219,220,240,245,260,311,326,327,330,335,346,347,350,353,369,395,419,435,438,448,461,467,478,499,500,508,515,529,550,562,576,608,620,626,640,648,651,660,661,676,683,719,733,734,748,750,754,759,760,770,780,787,791,798,804,827,872,883,918,935,936,947,968,974,996,1006 +0416_00038 13,15,16,17,21,35,89,134,153,170,195,203,210,215,219,220,245,246,260,284,311,320,326,327,330,335,336,347,350,353,394,395,419,435,438,461,467,477,499,500,508,515,529,550,562,597,608,620,626,640,648,651,661,676,683,719,724,727,733,748,750,753,759,780,787,791,798,804,827,863,872,914,918,935,936,939,947,948,968,974,996,1001,1006,1017 +0416_00039 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0416_00040 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006 +0416_00041 15,30,42,44,45,73,89,92,129,134,153,170,220,226,245,282,311,326,327,328,330,346,347,348,353,366,369,380,381,393,400,427,435,444,461,473,476,497,503,508,515,522,534,540,550,562,575,597,626,636,637,640,654,657,660,690,705,709,719,724,772,787,790,791,844,884,905,919,936,968,974,1001 +0416_00042 13,15,44,68,73,89,128,129,134,153,170,200,206,220,245,260,264,268,269,282,299,311,316,326,327,330,334,346,347,353,362,369,405,435,461,473,486,504,508,515,534,540,550,562,575,597,620,624,626,628,640,657,660,661,676,683,701,719,724,733,787,791,793,796,827,882,936,947,962,968,974,1023 +0416_00043 4,60,129,133,134,160,238,278,284,304,328,347,508,514,515,549,551,578,626,627,628,640,705,778,825,850,856,881,931,948,968,971 +0416_00044 20,28,83,94,96,107,134,153,207,214,231,244,247,248,261,272,285,349,366,372,380,383,389,479,480,487,503,508,512,516,520,522,530,550,602,603,626,654,662,673,684,714,727,739,752,762,778,786,797,812,893,896,968,978 +0416_00045 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0416_00046 17,19,49,134,153,178,226,268,270,281,366,419,472,496,515,550,620,626,640,676,715,733,776,786,900,946,947,968,970 +0416_00047 20,21,68,73,89,93,134,141,148,153,163,170,209,220,226,298,304,311,322,326,327,328,330,346,347,353,354,366,369,371,381,430,431,435,454,461,473,476,508,515,550,551,562,596,597,598,626,637,640,660,705,709,712,719,724,727,735,745,787,790,791,825,850,905,908,936,966,968,974,1014 +0416_00048 9,15,17,30,73,89,131,134,138,153,170,220,223,243,245,303,311,326,327,330,335,346,347,353,359,369,385,435,438,446,461,472,473,505,508,513,515,529,550,554,562,570,573,597,626,640,660,661,676,683,705,709,719,724,736,748,750,759,766,772,783,787,790,791,827,899,905,935,936,947,968,970,974,978,997 +0416_00049 7,14,20,94,107,118,141,153,207,231,242,250,284,285,301,303,366,481,508,516,530,594,602,626,627,635,673,682,690,727,739,757,881,915,948,984,1015 +0416_00050 17,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,369,400,435,438,440,461,473,476,512,515,521,553,562,592,597,616,622,626,640,648,656,660,661,676,677,682,705,719,724,752,787,790,791,794,905,936,947,961,968,970,974,983 +0416_00051 17,43,72,73,83,89,113,126,134,139,142,153,154,170,173,220,226,237,239,240,260,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,467,476,507,512,515,521,550,553,562,576,608,616,622,626,640,651,660,665,676,677,682,705,719,734,754,760,770,775,787,791,804,883,905,936,947,968,970,974,983 +0416_00052 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0416_00053 17,43,72,73,83,89,126,134,139,142,153,170,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,473,476,507,512,515,521,550,553,562,597,616,622,626,640,660,665,676,677,682,705,719,724,775,787,790,791,905,936,947,961,968,970,974,983 +0416_00054 7,21,30,42,55,73,77,89,92,93,134,153,159,223,226,245,259,272,311,326,327,328,330,335,341,353,359,361,369,371,374,381,393,429,446,461,476,508,513,515,550,553,562,570,573,587,601,617,626,640,683,719,746,747,748,783,791,836,860,877,894,899,921,936,941,968,970,974,978,992 +0416_00055 17,72,73,77,83,89,126,134,139,142,153,170,220,239,240,265,277,311,326,327,330,335,336,342,346,347,353,369,400,435,438,440,461,473,499,502,512,515,521,550,553,562,597,616,620,622,626,640,660,676,677,682,705,719,724,733,787,790,791,876,905,936,947,961,968,974,983 +0416_00056 15,21,35,89,110,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,330,335,336,347,350,353,369,392,395,399,419,435,438,442,461,464,473,486,499,500,508,512,515,547,550,555,562,579,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,734,741,748,753,780,785,787,791,793,798,816,827,863,872,918,936,947,948,968,974,994,996 +0416_00057 42,58,73,75,83,89,92,111,114,134,153,201,226,245,256,275,290,311,326,327,330,335,342,353,364,369,374,378,379,461,499,508,532,550,562,587,617,620,626,640,654,663,676,694,717,719,733,783,791,812,827,853,860,865,918,921,936,941,947,950,968,971,974,985,992,1013 +0416_00058 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0416_00059 15,20,44,73,81,85,89,116,118,121,134,151,153,170,226,230,240,258,260,274,284,300,311,326,327,330,339,346,347,369,396,420,435,461,471,473,508,549,557,562,590,616,626,651,660,667,716,719,727,736,744,751,787,791,804,814,833,840,852,864,869,882,900,936,948,950,968,974,977 +0416_00060 15,21,35,73,89,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,326,327,330,335,346,347,350,353,369,395,419,435,438,442,461,464,473,486,499,500,508,515,550,562,597,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,741,748,753,780,787,791,793,798,827,863,872,918,936,947,948,968,974,996 +0416_00061 32,76,134,136,139,223,245,323,335,339,345,364,434,451,452,461,499,508,513,533,547,550,552,594,596,609,619,620,626,640,647,676,733,748,753,806,847,853,934,936,947,968,971,998 +0416_00062 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0416_00063 12,38,42,73,89,134,153,170,195,220,226,245,269,277,295,311,326,327,330,335,346,347,353,361,369,381,435,461,473,476,508,515,550,562,586,597,626,640,644,660,661,683,719,724,744,748,753,762,787,791,797,798,803,805,810,811,827,835,840,901,922,927,936,948,949,968,970,974,1007,1016 +0416_00064 15,16,17,21,35,54,73,89,126,134,153,154,170,195,215,220,226,240,245,260,269,311,326,327,330,335,346,347,350,353,361,363,369,381,419,435,438,448,461,467,476,500,508,515,529,550,562,565,576,588,591,608,626,640,648,651,660,661,676,683,719,727,748,750,759,760,770,787,791,798,804,811,827,863,872,883,918,935,936,947,948,968,970,974,996,1006 +0416_00065 4,5,15,16,17,21,89,134,153,158,170,195,209,220,226,245,269,330,335,347,350,353,361,369,381,419,435,438,461,476,500,508,515,529,550,588,591,626,640,648,661,676,683,711,712,719,748,750,759,782,798,804,811,813,827,836,849,872,887,918,935,936,938,947,968,970,993,996,1006 +0416_00066 4,20,47,133,134,284,328,347,458,508,515,549,565,626,640,705,727,762,778,800,856,882,897,927,943,948,968 +0416_00067 1,7,15,42,60,69,89,104,134,144,152,169,175,181,194,201,204,230,254,261,290,325,335,347,372,374,394,402,422,445,461,501,508,515,524,532,549,550,622,626,633,642,666,686,687,722,769,783,784,834,844,867,908,910,941,943,948,961,966,968,973,974,986,1012,1022 +0416_00068 11,13,15,25,26,35,39,44,53,60,73,83,85,89,91,99,102,107,111,115,134,144,146,153,170,173,190,210,214,215,222,240,246,252,260,261,269,274,280,285,288,311,320,323,326,327,330,332,336,343,346,347,369,381,384,400,426,435,456,461,467,473,477,478,492,494,499,514,517,524,527,538,540,547,562,566,576,579,592,596,603,608,626,651,660,672,678,685,694,704,719,727,728,739,740,746,757,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0416_00069 4,15,54,134,137,151,192,193,245,274,301,347,400,452,461,508,515,544,549,566,568,674,705,719,743,748,778,839,845,893,948,958,968,1001,1016 +0416_00070 11,13,15,25,26,35,39,44,53,60,83,89,91,98,99,102,111,115,134,138,144,146,153,170,173,210,214,215,222,227,252,260,261,269,274,280,285,288,311,314,320,323,326,330,332,343,347,381,384,385,392,395,400,426,435,439,456,461,467,473,477,478,492,494,499,514,517,524,538,540,547,562,566,592,596,603,608,626,651,672,685,704,719,727,728,739,740,746,757,760,770,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0416_00071 15,26,35,89,93,98,128,134,170,210,215,220,245,260,299,311,316,320,326,335,347,350,353,379,435,438,442,459,461,464,473,486,499,500,508,515,550,562,620,626,628,640,661,676,683,687,697,701,719,724,727,733,741,748,780,793,797,798,827,835,863,918,922,936,947,948,968,974,1007 +0416_00072 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0416_00073 15,33,73,83,89,114,128,134,153,170,220,245,256,260,290,299,311,316,326,327,330,335,346,347,353,364,369,394,435,442,461,473,481,486,505,508,515,549,550,560,562,597,626,628,640,660,661,666,683,701,717,719,724,778,787,791,793,801,812,826,827,864,882,893,918,925,936,948,950,958,968,974,980 +0416_00074 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0416_00075 13,15,29,44,68,73,86,89,92,96,134,145,211,245,282,348,354,362,380,421,422,428,461,477,487,508,515,534,540,550,575,592,626,640,654,657,659,676,689,690,763,903,947,968,974,991,1010 diff --git a/processed_data/0416/0416_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0416/0416_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..7513d96b9 --- /dev/null +++ b/processed_data/0416/0416_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,76 @@ +id bits.on +0416_00001 1,15,16,17,20,21,39,89,118,134,153,170,195,220,226,245,269,330,335,347,350,353,361,369,381,399,419,435,438,461,473,476,500,508,515,529,544,550,552,555,562,588,591,626,640,648,660,661,676,683,719,724,727,748,750,753,759,762,785,787,791,798,811,827,872,886,918,935,936,947,948,951,968,970,974,989,996,1006 +0416_00002 49,117,134,144,153,178,270,281,335,533,550,620,626,632,640,655,670,676,721,733,786,844,847,947,948,968,970 +0416_00003 4,17,43,72,73,83,89,126,134,139,142,153,170,201,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,369,400,435,438,440,461,473,512,515,521,549,550,553,562,597,616,622,626,640,660,662,665,666,676,677,682,705,707,719,724,778,787,790,791,858,861,905,936,947,948,961,968,974,979,983 +0416_00004 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0416_00005 4,60,129,134,148,201,226,278,304,347,353,362,508,514,515,549,550,578,626,627,640,666,705,712,735,764,778,825,850,858,881,931,948,968,990,999 +0416_00006 4,9,15,30,35,89,98,110,128,134,153,170,197,210,215,220,223,243,245,260,299,303,311,316,320,335,336,347,353,359,369,385,392,399,435,438,446,461,469,473,486,508,512,513,515,547,549,550,554,555,562,570,573,579,618,626,628,640,660,661,683,687,701,705,709,719,724,727,734,736,748,772,778,783,785,787,791,793,816,827,863,882,899,936,948,968,970,974,978,994,1017 +0416_00007 1,4,15,120,134,151,194,209,211,220,295,313,326,347,368,376,402,405,515,549,601,622,653,654,705,778,819,823,829,867,898,938,948,959,968,983,1022 +0416_00008 20,29,37,53,68,72,77,93,134,141,163,261,298,304,330,353,354,361,508,515,550,551,578,620,626,637,640,676,712,713,727,733,741,763,825,850,947,952,955,968 +0416_00009 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0416_00010 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0416_00011 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0416_00012 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0416_00013 3,8,14,15,20,26,30,60,73,89,94,134,135,139,151,153,154,161,167,169,170,184,185,193,198,220,222,238,244,245,260,267,285,287,289,321,326,347,348,363,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,642,651,656,677,689,696,698,710,711,719,727,733,760,770,772,790,804,805,819,822,831,838,872,878,883,885,915,916,922,934,936,938,948,956,963,965,968,974,978,980,995,1006,1009,1010,1014,1022 +0416_00014 8,14,15,20,26,27,30,34,35,44,60,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,252,260,267,274,282,285,289,311,320,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,477,479,482,494,495,499,508,562,565,572,604,608,626,630,635,636,651,656,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,863,872,883,915,916,936,938,939,948,956,964,968,974,980,995,1009,1010,1014,1022 +0416_00015 8,14,15,20,26,27,30,34,44,60,73,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,240,252,260,267,274,282,285,289,311,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,479,482,494,495,499,508,562,565,572,576,604,608,626,630,635,636,651,656,660,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,872,883,915,916,936,938,948,956,964,968,974,980,995,1009,1010,1014,1022 +0416_00016 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0416_00017 15,16,17,33,83,89,114,134,245,256,260,290,335,347,353,364,394,435,461,481,505,508,515,523,529,549,550,560,626,640,661,666,676,683,717,750,759,778,801,812,826,827,874,918,925,936,947,948,950,958,968,980 +0416_00018 15,16,17,26,73,89,93,131,134,138,144,153,170,220,245,303,311,326,327,330,335,346,347,353,369,379,435,438,461,472,473,500,505,508,514,515,527,529,550,562,597,626,640,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,797,798,811,827,835,905,918,922,935,936,947,968,970,974,1006,1007 +0416_00019 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0416_00020 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0416_00021 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0416_00022 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,417,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0416_00023 9,15,30,54,73,89,92,134,153,158,159,167,168,223,226,245,284,295,311,326,327,328,330,335,353,359,361,369,374,381,384,438,446,461,476,508,513,515,550,554,562,569,570,573,587,617,626,640,683,711,719,748,772,783,791,816,836,860,889,894,899,921,936,941,968,970,974,978,992,1004 +0416_00024 9,15,54,73,89,92,134,139,153,158,167,168,200,223,245,284,295,311,326,327,328,330,335,353,369,374,384,438,446,461,499,508,513,515,550,554,562,569,570,573,587,617,619,620,626,640,676,683,711,719,733,748,783,791,816,860,889,894,899,921,936,941,947,968,974,978,992,1004,1016 +0416_00025 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0416_00026 14,15,58,89,106,134,175,226,237,245,320,332,371,438,444,453,508,524,547,606,650,662,663,686,702,772,836,929,947,948,1018 +0416_00027 10,14,15,49,76,89,134,153,175,199,207,237,245,264,320,371,438,453,508,524,540,570,640,658,662,663,677,686,694,741,764,772,794,802,816,836,881,948,953,978,1006 +0416_00028 42,74,134,153,173,192,226,245,274,328,353,400,434,437,452,459,461,465,466,508,524,544,550,566,568,626,640,657,714,717,748,933,968,997 +0416_00029 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0416_00030 4,15,16,17,21,73,89,118,133,134,153,170,178,195,220,223,245,284,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,549,562,597,626,640,648,660,661,676,683,705,707,719,724,748,750,753,759,778,787,791,798,807,827,856,872,918,935,936,947,948,968,974,984,996,1006 +0416_00031 15,16,17,21,73,89,118,131,134,138,144,153,170,195,220,245,303,311,326,327,330,335,346,347,350,353,369,419,435,438,461,472,473,500,505,508,514,515,529,550,562,588,591,597,626,640,648,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,798,811,827,872,905,918,935,936,947,968,970,974,996,1006 +0416_00032 15,17,44,73,89,129,134,206,226,245,264,282,334,353,362,369,381,405,444,461,476,503,508,515,529,534,540,550,575,624,626,636,637,640,657,661,676,683,735,750,759,796,844,904,947,962,968,979,991 +0416_00033 13,15,44,68,73,89,111,128,129,134,200,206,245,259,260,264,268,269,282,316,334,347,353,362,405,425,461,505,508,515,534,540,549,550,575,620,624,626,640,657,661,676,683,733,778,796,827,947,948,951,962,968,1023 +0416_00034 9,15,41,73,89,92,134,139,153,158,168,170,174,193,200,220,223,245,254,311,326,327,328,330,335,346,347,369,374,381,435,438,446,449,461,473,499,508,513,515,550,554,562,570,573,587,597,617,619,620,626,640,660,676,681,683,705,711,719,724,733,748,780,783,787,790,791,792,860,894,899,905,921,936,941,947,968,974,978,992,1016 +0416_00035 9,15,34,73,89,95,134,139,153,158,167,170,193,200,220,223,245,252,311,326,327,328,330,335,346,347,369,435,438,446,461,473,499,508,510,513,515,550,554,562,570,573,597,619,620,626,640,660,676,683,705,711,719,724,733,748,787,790,791,792,795,899,905,936,947,965,968,970,974,978,1014,1016 +0416_00036 15,21,35,89,128,134,170,195,210,215,219,220,245,260,299,311,316,320,330,335,347,350,353,395,419,435,438,442,461,464,473,481,486,499,500,508,515,550,562,620,626,628,640,648,661,676,683,687,697,701,719,724,727,733,741,748,753,780,793,798,827,863,872,918,936,947,948,968,974,996 +0416_00037 15,16,17,21,73,89,126,134,153,154,170,173,195,219,220,240,245,260,311,326,327,330,335,346,347,350,353,369,395,419,435,438,448,461,467,478,499,500,508,515,529,550,562,576,608,620,626,640,648,651,660,661,676,683,719,733,734,748,750,754,759,760,770,780,787,791,798,804,827,872,883,918,935,936,947,968,974,996,1006 +0416_00038 13,15,16,17,21,35,89,134,153,170,195,203,210,215,219,220,245,246,260,284,311,320,326,327,330,335,336,347,350,353,394,395,419,435,438,461,467,477,499,500,508,515,529,550,562,597,608,620,626,640,648,651,661,676,683,719,724,727,733,748,750,753,759,780,787,791,798,804,827,863,872,914,918,935,936,939,947,948,968,974,996,1001,1006,1017 +0416_00039 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0416_00040 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006 +0416_00041 15,30,42,44,45,73,89,92,129,134,153,170,220,226,245,282,311,326,327,328,330,346,347,348,353,366,369,380,381,393,400,427,435,444,461,473,476,497,503,508,515,522,534,540,550,562,575,597,626,636,637,640,654,657,660,690,705,709,719,724,772,787,790,791,844,884,905,919,936,968,974,1001 +0416_00042 13,15,44,68,73,89,128,129,134,153,170,200,206,220,245,260,264,268,269,282,299,311,316,326,327,330,334,346,347,353,362,369,405,435,461,473,486,504,508,515,534,540,550,562,575,597,620,624,626,628,640,657,660,661,676,683,701,719,724,733,787,791,793,796,827,882,936,947,962,968,974,1023 +0416_00043 4,60,129,133,134,160,238,278,284,304,328,347,508,514,515,549,551,578,626,627,628,640,705,778,825,850,856,881,931,948,968,971 +0416_00044 20,28,83,94,96,107,134,153,207,214,231,244,247,248,261,272,285,349,366,372,380,383,389,479,480,487,503,508,512,516,520,522,530,550,602,603,626,654,662,673,684,714,727,739,752,762,778,786,797,812,893,896,968,978 +0416_00045 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0416_00046 17,19,49,134,153,178,226,268,270,281,366,419,472,496,515,550,620,626,640,676,715,733,776,786,900,946,947,968,970 +0416_00047 20,21,68,73,89,93,134,141,148,153,163,170,209,220,226,298,304,311,322,326,327,328,330,346,347,353,354,366,369,371,381,430,431,435,454,461,473,476,508,515,550,551,562,596,597,598,626,637,640,660,705,709,712,719,724,727,735,745,787,790,791,825,850,905,908,936,966,968,974,1014 +0416_00048 9,15,17,30,73,89,131,134,138,153,170,220,223,243,245,303,311,326,327,330,335,346,347,353,359,369,385,435,438,446,461,472,473,505,508,513,515,529,550,554,562,570,573,597,626,640,660,661,676,683,705,709,719,724,736,748,750,759,766,772,783,787,790,791,827,899,905,935,936,947,968,970,974,978,997 +0416_00049 7,14,20,94,107,118,141,153,207,231,242,250,284,285,301,303,366,481,508,516,530,594,602,626,627,635,673,682,690,727,739,757,881,915,948,984,1015 +0416_00050 17,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,369,400,435,438,440,461,473,476,512,515,521,553,562,592,597,616,622,626,640,648,656,660,661,676,677,682,705,719,724,752,787,790,791,794,905,936,947,961,968,970,974,983 +0416_00051 17,43,72,73,83,89,113,126,134,139,142,153,154,170,173,220,226,237,239,240,260,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,467,476,507,512,515,521,550,553,562,576,608,616,622,626,640,651,660,665,676,677,682,705,719,734,754,760,770,775,787,791,804,883,905,936,947,968,970,974,983 +0416_00052 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0416_00053 17,43,72,73,83,89,126,134,139,142,153,170,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,473,476,507,512,515,521,550,553,562,597,616,622,626,640,660,665,676,677,682,705,719,724,775,787,790,791,905,936,947,961,968,970,974,983 +0416_00054 7,21,30,42,55,73,77,89,92,93,134,153,159,223,226,245,259,272,311,326,327,328,330,335,341,353,359,361,369,371,374,381,393,429,446,461,476,508,513,515,550,553,562,570,573,587,601,617,626,640,683,719,746,747,748,783,791,836,860,877,894,899,921,936,941,968,970,974,978,992 +0416_00055 17,72,73,77,83,89,126,134,139,142,153,170,220,239,240,265,277,311,326,327,330,335,336,342,346,347,353,369,400,435,438,440,461,473,499,502,512,515,521,550,553,562,597,616,620,622,626,640,660,676,677,682,705,719,724,733,787,790,791,876,905,936,947,961,968,974,983 +0416_00056 15,21,35,89,110,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,330,335,336,347,350,353,369,392,395,399,419,435,438,442,461,464,473,486,499,500,508,512,515,547,550,555,562,579,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,734,741,748,753,780,785,787,791,793,798,816,827,863,872,918,936,947,948,968,974,994,996 +0416_00057 42,58,73,75,83,89,92,111,114,134,153,201,226,245,256,275,290,311,326,327,330,335,342,353,364,369,374,378,379,461,499,508,532,550,562,587,617,620,626,640,654,663,676,694,717,719,733,783,791,812,827,853,860,865,918,921,936,941,947,950,968,971,974,985,992,1013 +0416_00058 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0416_00059 15,20,44,73,81,85,89,116,118,121,134,151,153,170,226,230,240,258,260,274,284,300,311,326,327,330,339,346,347,369,396,420,435,461,471,473,508,549,557,562,590,616,626,651,660,667,716,719,727,736,744,751,787,791,804,814,833,840,852,864,869,882,900,936,948,950,968,974,977 +0416_00060 15,21,35,73,89,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,326,327,330,335,346,347,350,353,369,395,419,435,438,442,461,464,473,486,499,500,508,515,550,562,597,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,741,748,753,780,787,791,793,798,827,863,872,918,936,947,948,968,974,996 +0416_00061 32,76,134,136,139,223,245,323,335,339,345,364,434,451,452,461,499,508,513,533,547,550,552,594,596,609,619,620,626,640,647,676,733,748,753,806,847,853,934,936,947,968,971,998 +0416_00062 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0416_00063 12,38,42,73,89,134,153,170,195,220,226,245,269,277,295,311,326,327,330,335,346,347,353,361,369,381,435,461,473,476,508,515,550,562,586,597,626,640,644,660,661,683,719,724,744,748,753,762,787,791,797,798,803,805,810,811,827,835,840,901,922,927,936,948,949,968,970,974,1007,1016 +0416_00064 15,16,17,21,35,54,73,89,126,134,153,154,170,195,215,220,226,240,245,260,269,311,326,327,330,335,346,347,350,353,361,363,369,381,419,435,438,448,461,467,476,500,508,515,529,550,562,565,576,588,591,608,626,640,648,651,660,661,676,683,719,727,748,750,759,760,770,787,791,798,804,811,827,863,872,883,918,935,936,947,948,968,970,974,996,1006 +0416_00065 4,5,15,16,17,21,89,134,153,158,170,195,209,220,226,245,269,330,335,347,350,353,361,369,381,419,435,438,461,476,500,508,515,529,550,588,591,626,640,648,661,676,683,711,712,719,748,750,759,782,798,804,811,813,827,836,849,872,887,918,935,936,938,947,968,970,993,996,1006 +0416_00066 4,20,47,133,134,284,328,347,458,508,515,549,565,626,640,705,727,762,778,800,856,882,897,927,943,948,968 +0416_00067 1,7,15,42,60,69,89,104,134,144,152,169,175,181,194,201,204,230,254,261,290,325,335,347,372,374,394,402,422,445,461,501,508,515,524,532,549,550,622,626,633,642,666,686,687,722,769,783,784,834,844,867,908,910,941,943,948,961,966,968,973,974,986,1012,1022 +0416_00068 11,13,15,25,26,35,39,44,53,60,73,83,85,89,91,99,102,107,111,115,134,144,146,153,170,173,190,210,214,215,222,240,246,252,260,261,269,274,280,285,288,311,320,323,326,327,330,332,336,343,346,347,369,381,384,400,426,435,456,461,467,473,477,478,492,494,499,514,517,524,527,538,540,547,562,566,576,579,592,596,603,608,626,651,660,672,678,685,694,704,719,727,728,739,740,746,757,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0416_00069 4,15,54,134,137,151,192,193,245,274,301,347,400,452,461,508,515,544,549,566,568,674,705,719,743,748,778,839,845,893,948,958,968,1001,1016 +0416_00070 11,13,15,25,26,35,39,44,53,60,83,89,91,98,99,102,111,115,134,138,144,146,153,170,173,210,214,215,222,227,252,260,261,269,274,280,285,288,311,314,320,323,326,330,332,343,347,381,384,385,392,395,400,426,435,439,456,461,467,473,477,478,492,494,499,514,517,524,538,540,547,562,566,592,596,603,608,626,651,672,685,704,719,727,728,739,740,746,757,760,770,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0416_00071 15,26,35,89,93,98,128,134,170,210,215,220,245,260,299,311,316,320,326,335,347,350,353,379,435,438,442,459,461,464,473,486,499,500,508,515,550,562,620,626,628,640,661,676,683,687,697,701,719,724,727,733,741,748,780,793,797,798,827,835,863,918,922,936,947,948,968,974,1007 +0416_00072 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0416_00073 15,33,73,83,89,114,128,134,153,170,220,245,256,260,290,299,311,316,326,327,330,335,346,347,353,364,369,394,435,442,461,473,481,486,505,508,515,549,550,560,562,597,626,628,640,660,661,666,683,701,717,719,724,778,787,791,793,801,812,826,827,864,882,893,918,925,936,948,950,958,968,974,980 +0416_00074 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0416_00075 13,15,29,44,68,73,86,89,92,96,134,145,211,245,282,348,354,362,380,421,422,428,461,477,487,508,515,534,540,550,575,592,626,640,654,657,659,676,689,690,763,903,947,968,974,991,1010 diff --git a/processed_data/0416/0416_fingerprints_maccs_canonical_success.tsv b/processed_data/0416/0416_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..a8e079df4 --- /dev/null +++ b/processed_data/0416/0416_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,76 @@ +id bits.on +0416_00001 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00002 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0416_00003 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0416_00004 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00005 72,93,99,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0416_00006 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00007 72,78,93,98,100,105,108,111,113,116,119,121,126,127,137,141,143,144,145,147,149,150,152,153,156,157,158,159,160,161,162,163,164,165 +0416_00008 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00009 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00010 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0416_00011 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0416_00012 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0416_00013 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00014 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00015 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00016 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00017 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00018 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00019 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00020 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00021 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00022 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00023 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00024 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00025 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0416_00026 79,82,83,85,90,91,92,95,96,98,100,105,110,111,117,118,120,121,122,127,128,129,132,136,137,138,142,143,147,148,151,153,154,156,158,159,161,163,164,165 +0416_00027 74,79,83,85,90,91,92,95,96,98,100,104,105,110,111,115,117,118,120,121,122,127,128,136,137,142,143,147,148,149,150,151,153,154,155,156,158,159,160,161,163,164,165 +0416_00028 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00029 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00030 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00031 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00032 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00033 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0416_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00035 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00036 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00037 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00038 53,54,57,62,72,82,89,90,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00039 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00040 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00041 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00042 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00043 72,89,93,99,113,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00044 54,65,83,90,91,92,95,96,104,105,110,111,117,121,123,128,131,132,136,137,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00045 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0416_00046 53,89,91,113,125,127,131,139,143,145,146,147,152,155,157,159,162,163,164,165 +0416_00047 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00048 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00049 54,84,86,88,90,91,92,93,95,104,110,111,115,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0416_00050 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00051 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00052 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00053 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00054 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00055 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00056 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00058 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00059 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0416_00060 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00061 57,62,89,98,105,113,127,131,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0416_00062 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00063 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00064 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00065 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,157,159,162,163,164,165 +0416_00066 72,89,93,113,126,127,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00067 19,28,57,72,75,83,85,86,89,93,95,96,98,100,105,109,111,113,115,116,120,121,122,123,125,126,127,137,138,140,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0416_00068 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0416_00069 57,72,89,93,98,105,113,123,125,126,127,137,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00070 26,50,53,54,57,66,72,76,82,83,85,89,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0416_00071 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00072 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00073 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00074 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0416_00075 57,62,89,98,105,113,125,127,132,137,139,143,144,145,146,152,154,157,159,162,163,164,165 diff --git a/processed_data/0416/0416_fingerprints_maccs_isomeric_success.tsv b/processed_data/0416/0416_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..a8e079df4 --- /dev/null +++ b/processed_data/0416/0416_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,76 @@ +id bits.on +0416_00001 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00002 74,85,86,93,100,111,113,115,116,122,127,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0416_00003 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0416_00004 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00005 72,93,99,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0416_00006 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00007 72,78,93,98,100,105,108,111,113,116,119,121,126,127,137,141,143,144,145,147,149,150,152,153,156,157,158,159,160,161,162,163,164,165 +0416_00008 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00009 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00010 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0416_00011 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0416_00012 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0416_00013 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00014 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00015 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0416_00016 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00017 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00018 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00019 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00020 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00021 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00022 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00023 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00024 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00025 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0416_00026 79,82,83,85,90,91,92,95,96,98,100,105,110,111,117,118,120,121,122,127,128,129,132,136,137,138,142,143,147,148,151,153,154,156,158,159,161,163,164,165 +0416_00027 74,79,83,85,90,91,92,95,96,98,100,104,105,110,111,115,117,118,120,121,122,127,128,136,137,142,143,147,148,149,150,151,153,154,155,156,158,159,160,161,163,164,165 +0416_00028 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00029 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00030 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00031 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00032 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00033 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0416_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00035 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00036 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00037 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00038 53,54,57,62,72,82,89,90,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00039 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00040 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00041 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00042 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00043 72,89,93,99,113,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00044 54,65,83,90,91,92,95,96,104,105,110,111,117,121,123,128,131,132,136,137,139,140,142,146,147,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00045 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0416_00046 53,89,91,113,125,127,131,139,143,145,146,147,152,155,157,159,162,163,164,165 +0416_00047 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00048 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00049 54,84,86,88,90,91,92,93,95,104,110,111,115,117,123,128,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,160,161,164 +0416_00050 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00051 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00052 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0416_00053 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00054 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00055 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0416_00056 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00058 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00059 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0416_00060 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00061 57,62,89,98,105,113,127,131,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0416_00062 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00063 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0416_00064 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00065 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,157,159,162,163,164,165 +0416_00066 72,89,93,113,126,127,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00067 19,28,57,72,75,83,85,86,89,93,95,96,98,100,105,109,111,113,115,116,120,121,122,123,125,126,127,137,138,140,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0416_00068 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0416_00069 57,72,89,93,98,105,113,123,125,126,127,137,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0416_00070 26,50,53,54,57,66,72,76,82,83,85,89,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0416_00071 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0416_00072 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0416_00073 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0416_00074 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0416_00075 57,62,89,98,105,113,125,127,132,137,139,143,144,145,146,152,154,157,159,162,163,164,165 diff --git a/processed_data/0416/0416_fingerprints_pubchem_canonical_success.tsv b/processed_data/0416/0416_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..521a74ed6 --- /dev/null +++ b/processed_data/0416/0416_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,76 @@ +id bits.on +0416_00001 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00002 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0416_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00004 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0416_00005 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00006 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00007 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,333,334,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,406,417,419,431,432,435,442,443,447,454,471,477,491,499,521,525,539,540,542,543,545,549,553,556,557,565,566,568,571,574,575,577,579,583,585,590,593,595,596,600,604,605,607,608,609,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,713,715,736,756,762,778,799,819,825 +0416_00008 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0416_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00011 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00012 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0416_00013 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00014 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00015 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00016 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00017 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00018 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00019 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00020 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00021 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00022 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00023 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0416_00024 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00025 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00026 10,11,15,16,19,20,144,146,147,179,181,182,284,285,286,287,300,333,339,341,345,346,352,353,366,391,392,393,394,421,440,444,452,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696 +0416_00027 10,11,12,15,16,19,20,144,146,147,179,181,182,284,285,286,287,300,333,334,336,339,341,345,346,352,353,366,375,391,392,393,394,421,440,444,452,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696,709,710 +0416_00028 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00029 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00030 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00031 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00032 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00033 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00034 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00035 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00036 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00037 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00038 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00039 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00040 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00041 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00042 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00043 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0416_00044 10,11,12,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,683,684,685,686,689,691,693,694,695,696,697,698,705,708,709,710,711,713,759,822 +0416_00045 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00046 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,715,736,741,778,799,804 +0416_00047 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00048 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00049 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,583,587,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0416_00050 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00051 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00052 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0416_00053 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00054 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0416_00055 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00056 10,11,12,13,14,19,20,21,22,23,179,180,182,186,187,189,193,196,200,203,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00057 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0416_00058 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00059 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0416_00060 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00061 10,11,12,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0416_00062 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00063 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00064 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00065 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00066 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0416_00067 10,11,12,13,15,19,20,21,144,150,151,157,179,180,185,186,187,193,214,219,220,256,258,284,285,286,287,333,334,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,545,549,550,553,557,564,565,566,567,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,615,616,619,620,627,629,631,634,635,638,640,641,642,652,656,657,660,661,662,663,665,667,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,713,715,736,756,757,762,778,799,819,820,825 +0416_00068 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0416_00069 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00070 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0416_00071 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00072 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00073 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00074 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00075 10,11,12,19,20,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,697,698,699,700,705,709,710,711,720,736,757,783,799,820 diff --git a/processed_data/0416/0416_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0416/0416_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..521a74ed6 --- /dev/null +++ b/processed_data/0416/0416_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,76 @@ +id bits.on +0416_00001 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00002 10,11,12,15,19,179,180,256,284,285,286,287,309,333,334,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +0416_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00004 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0416_00005 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00006 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00007 10,11,12,15,19,20,179,180,184,185,186,256,284,285,286,287,333,334,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,406,417,419,431,432,435,442,443,447,454,471,477,491,499,521,525,539,540,542,543,545,549,553,556,557,565,566,568,571,574,575,577,579,583,585,590,593,595,596,600,604,605,607,608,609,619,620,627,631,635,638,641,642,652,656,661,663,665,667,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,713,715,736,756,762,778,799,819,825 +0416_00008 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0416_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00011 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0416_00012 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0416_00013 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00014 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00015 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0416_00016 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00017 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00018 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00019 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00020 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00021 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00022 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00023 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0416_00024 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00025 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00026 10,11,15,16,19,20,144,146,147,179,181,182,284,285,286,287,300,333,339,341,345,346,352,353,366,391,392,393,394,421,440,444,452,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696 +0416_00027 10,11,12,15,16,19,20,144,146,147,179,181,182,284,285,286,287,300,333,334,336,339,341,345,346,352,353,366,375,391,392,393,394,421,440,444,452,529,536,537,541,570,580,583,593,603,612,614,644,646,647,657,684,685,696,709,710 +0416_00028 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00029 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00030 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00031 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00032 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00033 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00034 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00035 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00036 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00037 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00038 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00039 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00040 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00041 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00042 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00043 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0416_00044 10,11,12,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,683,684,685,686,689,691,693,694,695,696,697,698,705,708,709,710,711,713,759,822 +0416_00045 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00046 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,715,736,741,778,799,804 +0416_00047 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00048 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00049 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,567,580,583,587,593,603,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0416_00050 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00051 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00052 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0416_00053 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00054 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0416_00055 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00056 10,11,12,13,14,19,20,21,22,23,179,180,182,186,187,189,193,196,200,203,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00057 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0416_00058 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0416_00059 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0416_00060 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00061 10,11,12,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,698,699,701,702,705,706,707,709,710,711,715,741,757,778,804,820 +0416_00062 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00063 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00064 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00065 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00066 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0416_00067 10,11,12,13,15,19,20,21,144,150,151,157,179,180,185,186,187,193,214,219,220,256,258,284,285,286,287,333,334,339,340,341,342,345,346,347,348,352,353,356,357,366,367,368,371,372,375,381,382,383,385,391,392,406,417,431,435,442,447,465,471,477,491,499,517,521,525,541,542,543,545,549,550,553,557,564,565,566,567,568,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,611,614,615,616,619,620,627,629,631,634,635,638,640,641,642,652,656,657,660,661,662,663,665,667,669,678,679,680,681,682,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,713,715,736,756,757,762,778,799,819,820,825 +0416_00068 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0416_00069 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0416_00070 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0416_00071 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00072 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0416_00073 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0416_00074 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0416_00075 10,11,12,19,20,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,697,698,699,700,705,709,710,711,720,736,757,783,799,820 diff --git a/processed_data/0416/0416_gradient.tsv b/processed_data/0416/0416_gradient.tsv new file mode 100644 index 000000000..281888d50 --- /dev/null +++ b/processed_data/0416/0416_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 99.5 0.5 +0.1 0.3 99.5 0.5 +10 0.3 20 80 +10.1 0.4 0.5 99.5 +12 0.4 0.5 99.5 diff --git a/processed_data/0416/0416_info.tsv b/processed_data/0416/0416_info.tsv new file mode 100644 index 000000000..fa45f3b32 --- /dev/null +++ b/processed_data/0416/0416_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0416 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_37 Flowrate:0.3-0.4 diff --git a/processed_data/0416/0416_metadata.tsv b/processed_data/0416/0416_metadata.tsv new file mode 100644 index 000000000..be58095ee --- /dev/null +++ b/processed_data/0416/0416_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0416 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0 % % % % diff --git a/processed_data/0416/0416_report_canonical.pdf b/processed_data/0416/0416_report_canonical.pdf new file mode 100644 index 000000000..f5a9db231 Binary files /dev/null and b/processed_data/0416/0416_report_canonical.pdf differ diff --git a/processed_data/0416/0416_report_isomeric.pdf b/processed_data/0416/0416_report_isomeric.pdf new file mode 100644 index 000000000..eccac2b5b Binary files /dev/null and b/processed_data/0416/0416_report_isomeric.pdf differ diff --git a/processed_data/0416/0416_rtdata_canonical_success.tsv b/processed_data/0416/0416_rtdata_canonical_success.tsv new file mode 100644 index 000000000..cbce4f18c --- /dev/null +++ b/processed_data/0416/0416_rtdata_canonical_success.tsv @@ -0,0 +1,76 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0416_00001 C23H22O13 4.42 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00002 C10H15NO 2.05 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0416_00003 C22H23O11 3.15 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1 ZZWPMFROUHHAKY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00004 C11H12O5 4.21 COC1=CC(=CC(=C1O)OC)C=CC(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00005 C10H10O3 4.76 COC1=C(C=CC(=C1)C=CC=O)O InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3 DKZBBWMURDFHNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0416_00006 C28H32O15 4.39 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 GZSOSUNBTXMUFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00007 C12H15NO2 2.93 CC1=NCCC2=CC(=C(C=C12)OC)OC InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3 VASUQTGZAPZKFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydroisoquinolines (CHEMONTID:0002958) NA (NA) NA (NA) NA (NA) +0416_00008 C15H12O4 6.43 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H DXDRHHKMWQZJHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0416_00009 C9H11NO2 2.3 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00010 C9H8O4 3.44 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00011 C10H10O4 4.24 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00012 C9H8O3 4.01 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00013 C42H62O17 6.36 CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55) WBQVRPYEEYUEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00014 C48H78O18 7.09 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60) PTDAHAWQAGSZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00015 C48H78O19 6.97 CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) WFRQIKSNAYYUJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00016 C15H10O4 5.15 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0416_00017 C16H12O5 7.63 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 WUADCCWRTIWANL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0416_00018 C21H20O12 4.51 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2 OIUBYZLTFSLSBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00019 C15H10O7 5.37 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0416_00020 C16H12O7 6.14 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0416_00021 C16H12O4 6.69 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0416_00022 C26H28O14 3.55 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00023 C21H20O11 3.59 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0416_00024 C21H20O10 3.95 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 MYXNWGACZJSMBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0416_00025 C15H10O5 5.89 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0416_00026 C7H10N2O2 2.06 C1CC2C(=O)NCC(=O)N2C1 InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11) OWOHLURDBZHNGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00027 C11H18N2O2 4.03 CC(C)CC1C(=O)N2CCCC2C(=O)N1 InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) SZJNCZMRZAUNQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00028 C9H6O4 2.87 C1=CC(=C(C2=C1C=CC(=O)O2)O)O InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ATEFPOUAMCWAQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7,8-dihydroxycoumarins (CHEMONTID:0002644) NA (NA) +0416_00029 C10H8O4 4.24 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0416_00030 C23H24O13 4.36 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3 JMFWYRWPJVEZPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00031 C27H30O17 3.54 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 RPVIQWDFJPYNJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00032 C15H12O6 5.35 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 SBHXYTNGIZCORC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0416_00033 C16H14O5 7.42 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 DJOJDHGQRNZXQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0416_00034 C27H30O15 3.52 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 HGUVPEBGCAVWID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00035 C21H20O11 4.13 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 VUGRLRAUZWGZJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00036 C27H30O14 3.94 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 PUPKKEQDLNREIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00037 C27H30O16 3.8 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 LKZDFKLGDGSGEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00038 C27H30O15 4.15 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3 YFPYXTNSQOUHPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00039 C27H30O16 3.86 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00040 C28H32O16 4.17 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00041 C21H22O11 3.47 C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2 DGGOLFCPSUVVHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00042 C21H22O10 4.52 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 DLIKSSGEMUFQOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00043 C11H12O4 4.73 COC1=CC(=CC(=C1O)OC)C=CC=O InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3 CDICDSOGTRCHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0416_00044 C15H16N2O5 4.12 C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22) YRKLGWOHYXIKSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00045 C15H14O6 3.13 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0416_00046 C14H14O3 5.15 C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 HITJFUSPLYBJPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0416_00047 C21H22O11 4.1 C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2 XGEYXJDOVMEJNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00048 C21H20O11 4.45 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 UHNXUSWGOJMEFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00049 C9H16N2O5S 2.02 CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) UPCDLBPYWXOCOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0416_00050 C21H21O12 2.61 C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 XENHPQQLDPAYIJ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00051 C27H31O16 2.77 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1 SXYMMDGPXYVCER-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00052 C11H12N2O2 2.8 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0416_00053 C21H21O11 2.91 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 RKWHWFONKJEUEF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00054 C27H30O16 3.1 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2 ZLPSOQFIIQIIAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00055 C21H21O10 3.12 C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 ABVCUBUIXWJYSE-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00056 C33H40O19 3.25 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 PEFASEPMJYRQBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00057 C21H20O9 3.27 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2 HKEAFJYKMMKDOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid C-glycosides (CHEMONTID:0002896) NA (NA) NA (NA) +0416_00058 C27H30O15 3.3 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2 FIAAVMJLAGNUKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00059 C17H24O10 3.42 COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3 IBFYXTRXDNAPMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0416_00060 C27H30O15 3.7 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 JYXSWDCPHRTYGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00061 C15H10O4 3.87 C1=CC(=CC=C1C2=CC=C3C(=CC(=O)C=C3O2)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8,16,18H FADMMGXLSPNVID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Hydroxyflavonoids (CHEMONTID:0002991) 5-hydroxyflavonoids (CHEMONTID:0002992) NA (NA) +0416_00062 C21H20O12 4.03 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00063 C21H20O13 4.12 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2 SJRXVLUZMMDCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-8-O-glycosides (CHEMONTID:0003540) +0416_00064 C27H30O16 4.15 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3 DFNXNCCYQRPZMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00065 C20H18O11 4.17 C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2 PZZRDJXEMZMZFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00066 C10H12O4 4.31 CC(=O)C1=CC(=C(C(=C1)OC)O)OC InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3 OJOBTAOGJIWAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0416_00067 C21H21NO6 4.65 CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3 XRBIHOLQAKITPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Rhoeadine alkaloids (CHEMONTID:0002658) NA (NA) NA (NA) NA (NA) +0416_00068 C45H73NO15 4.95 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ZGVSETXHNHBTRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0416_00069 C11H10O4 5 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 GUAFOGOEJLSQBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0416_00070 C45H73NO14 5.01 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 TYNQWWGVEGFKRU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0416_00071 C21H20O10 5.28 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3 HQNOUCSPWAGQND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00072 C15H10O6 5.34 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0416_00073 C22H22O10 5.73 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 LFEUICHQZGNOHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0416_00074 C15H12O5 5.95 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0416_00075 C15H12O3 7.17 C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 XYHWPQUEOOBIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) diff --git a/processed_data/0416/0416_rtdata_isomeric_success.tsv b/processed_data/0416/0416_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..cbce4f18c --- /dev/null +++ b/processed_data/0416/0416_rtdata_isomeric_success.tsv @@ -0,0 +1,76 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0416_00001 C23H22O13 4.42 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00002 C10H15NO 2.05 CN(C)CCC1=CC=C(C=C1)O InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3 KUBCEEMXQZUPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0416_00003 C22H23O11 3.15 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1 ZZWPMFROUHHAKY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00004 C11H12O5 4.21 COC1=CC(=CC(=C1O)OC)C=CC(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00005 C10H10O3 4.76 COC1=C(C=CC(=C1)C=CC=O)O InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3 DKZBBWMURDFHNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0416_00006 C28H32O15 4.39 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 GZSOSUNBTXMUFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00007 C12H15NO2 2.93 CC1=NCCC2=CC(=C(C=C12)OC)OC InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3 VASUQTGZAPZKFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydroisoquinolines (CHEMONTID:0002958) NA (NA) NA (NA) NA (NA) +0416_00008 C15H12O4 6.43 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H DXDRHHKMWQZJHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0416_00009 C9H11NO2 2.3 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00010 C9H8O4 3.44 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00011 C10H10O4 4.24 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00012 C9H8O3 4.01 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0416_00013 C42H62O17 6.36 CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55) WBQVRPYEEYUEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00014 C48H78O18 7.09 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60) PTDAHAWQAGSZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00015 C48H78O19 6.97 CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) WFRQIKSNAYYUJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0416_00016 C15H10O4 5.15 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0416_00017 C16H12O5 7.63 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 WUADCCWRTIWANL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0416_00018 C21H20O12 4.51 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2 OIUBYZLTFSLSBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00019 C15H10O7 5.37 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0416_00020 C16H12O7 6.14 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0416_00021 C16H12O4 6.69 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0416_00022 C26H28O14 3.55 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00023 C21H20O11 3.59 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0416_00024 C21H20O10 3.95 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 MYXNWGACZJSMBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0416_00025 C15H10O5 5.89 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0416_00026 C7H10N2O2 2.06 C1CC2C(=O)NCC(=O)N2C1 InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11) OWOHLURDBZHNGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00027 C11H18N2O2 4.03 CC(C)CC1C(=O)N2CCCC2C(=O)N1 InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14) SZJNCZMRZAUNQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00028 C9H6O4 2.87 C1=CC(=C(C2=C1C=CC(=O)O2)O)O InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ATEFPOUAMCWAQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7,8-dihydroxycoumarins (CHEMONTID:0002644) NA (NA) +0416_00029 C10H8O4 4.24 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0416_00030 C23H24O13 4.36 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3 JMFWYRWPJVEZPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00031 C27H30O17 3.54 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 RPVIQWDFJPYNJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00032 C15H12O6 5.35 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 SBHXYTNGIZCORC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0416_00033 C16H14O5 7.42 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 DJOJDHGQRNZXQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0416_00034 C27H30O15 3.52 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 HGUVPEBGCAVWID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00035 C21H20O11 4.13 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 VUGRLRAUZWGZJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00036 C27H30O14 3.94 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 PUPKKEQDLNREIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00037 C27H30O16 3.8 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 LKZDFKLGDGSGEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00038 C27H30O15 4.15 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3 YFPYXTNSQOUHPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00039 C27H30O16 3.86 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00040 C28H32O16 4.17 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00041 C21H22O11 3.47 C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2 DGGOLFCPSUVVHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00042 C21H22O10 4.52 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 DLIKSSGEMUFQOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00043 C11H12O4 4.73 COC1=CC(=CC(=C1O)OC)C=CC=O InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3 CDICDSOGTRCHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0416_00044 C15H16N2O5 4.12 C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)O)C(=O)O InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22) YRKLGWOHYXIKSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0416_00045 C15H14O6 3.13 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0416_00046 C14H14O3 5.15 C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 HITJFUSPLYBJPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0416_00047 C21H22O11 4.1 C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2 XGEYXJDOVMEJNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00048 C21H20O11 4.45 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 UHNXUSWGOJMEFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0416_00049 C9H16N2O5S 2.02 CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) UPCDLBPYWXOCOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0416_00050 C21H21O12 2.61 C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1 XENHPQQLDPAYIJ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00051 C27H31O16 2.77 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1 SXYMMDGPXYVCER-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00052 C11H12N2O2 2.8 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0416_00053 C21H21O11 2.91 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 RKWHWFONKJEUEF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00054 C27H30O16 3.1 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2 ZLPSOQFIIQIIAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00055 C21H21O10 3.12 C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 ABVCUBUIXWJYSE-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0416_00056 C33H40O19 3.25 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3 PEFASEPMJYRQBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00057 C21H20O9 3.27 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2 HKEAFJYKMMKDOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid C-glycosides (CHEMONTID:0002896) NA (NA) NA (NA) +0416_00058 C27H30O15 3.3 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2 FIAAVMJLAGNUKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0416_00059 C17H24O10 3.42 COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3 IBFYXTRXDNAPMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0416_00060 C27H30O15 3.7 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 JYXSWDCPHRTYGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00061 C15H10O4 3.87 C1=CC(=CC=C1C2=CC=C3C(=CC(=O)C=C3O2)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8,16,18H FADMMGXLSPNVID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Hydroxyflavonoids (CHEMONTID:0002991) 5-hydroxyflavonoids (CHEMONTID:0002992) NA (NA) +0416_00062 C21H20O12 4.03 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00063 C21H20O13 4.12 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2 SJRXVLUZMMDCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-8-O-glycosides (CHEMONTID:0003540) +0416_00064 C27H30O16 4.15 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3 DFNXNCCYQRPZMD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00065 C20H18O11 4.17 C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2 PZZRDJXEMZMZFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0416_00066 C10H12O4 4.31 CC(=O)C1=CC(=C(C(=C1)OC)O)OC InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3 OJOBTAOGJIWAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0416_00067 C21H21NO6 4.65 CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3 XRBIHOLQAKITPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Rhoeadine alkaloids (CHEMONTID:0002658) NA (NA) NA (NA) NA (NA) +0416_00068 C45H73NO15 4.95 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ZGVSETXHNHBTRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0416_00069 C11H10O4 5 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 GUAFOGOEJLSQBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) NA (NA) NA (NA) NA (NA) +0416_00070 C45H73NO14 5.01 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 TYNQWWGVEGFKRU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0416_00071 C21H20O10 5.28 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3 HQNOUCSPWAGQND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0416_00072 C15H10O6 5.34 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0416_00073 C22H22O10 5.73 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 LFEUICHQZGNOHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0416_00074 C15H12O5 5.95 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0416_00075 C15H12O3 7.17 C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 XYHWPQUEOOBIOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) diff --git a/processed_data/0416/0416_validation_qspr_outliers.tsv b/processed_data/0416/0416_validation_qspr_outliers.tsv new file mode 100644 index 000000000..f21e26368 --- /dev/null +++ b/processed_data/0416/0416_validation_qspr_outliers.tsv @@ -0,0 +1,4 @@ +id error +0416_00027 1.3740979447417105 +0416_00061 1.4705137879114085 +0416_00075 2.811739653848008 diff --git a/processed_data/0417/0417_descriptors_canonical_success.tsv b/processed_data/0417/0417_descriptors_canonical_success.tsv new file mode 100644 index 000000000..c9571254a --- /dev/null +++ b/processed_data/0417/0417_descriptors_canonical_success.tsv @@ -0,0 +1,91 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0417_00001 11.849999999999998 15.996927495919174 -0.33039709079183494 0.27626944263232167 4.048237332723833 9.868491906978004 0.23076923076923078 0.503 246.26235840858513 0 5 2.34 9 11 19 0 32 0 0 -0.4625000000000011 0.213906250000001 69.844 1 2 2 1 1 0 0 1 1 0 0 0 0.31869101586639886 90 652 24 35.96333596050344 1.997963108916858 13.303982214633846 7.268560626056499 6.0354215885773455 5.247927513443585 78.43 1 0.5 0 0.8855150692461791 1.8256722996548274 0 6.0465213964324045 11.250690899326942 0 5.2324496401603104 0 0 0.814325284978472 0 0 0 0 0 0.19999999999999996 0 0 0 0 0 0 0 0 1 0 1 0 0 5 1 0 0 2 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.409972299168976 6.437869822485207 3.75 0.23076923076923078 783.05 0.5 294 13.120955864630139 8.575387400469408 7.84369829722097 6.098961942398296 4.670125743014933 3.469924142446669 2.0862990643078696 1.5377113823277282 9.934918572751988 5.648362946158893 4.163713426683449 2.7738471317760576 1.8050977129429937 1.085238111509381 0.5834029231709981 0.3507342985640806 2.868912221249458 3.6374116814408284 4.658468604910425 0.937670565159114 1.1166533612889207 1.087603116656976 1.3271268251449497 0 0.3717850238834702 0 0.5156106185289548 0 0.0766484297175093 0 0 0 0.09622504486493763 0.2874574785652648 0.3868844097596112 0 0 0.036084391824351615 0.09495996259843588 0.10608271122856461 0 0 3 5 2 1 2 0 0 1021.5683072186765 1174.2135732382428 1585.5362109605494 1391.3060174177092 1109.2943558848115 21.043367709175797 20.661003664119477 29.32129816308793 27.100018835385274 22.65727959551717 0.4212696371207824 -0.1881578199650355 -0.031056138583260024 0.10612740944489495 -0.2079901275419562 3 5 18.540897999999995 36.821101999999996 +0417_00002 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6.294225135537933 22.577951722780423 13.852978319040302 15.214299071298274 13.002563165367292 10.764144497779858 8.75006785893673 7.166236620328858 4.800568047066133 13.654807862363537 23.449835689038153 38.54128027675161 10.976105965291818 18.726669365601666 30.04321008344823 5.720405294196449 0.8219752754296894 2.67878284416694 0.7791110568219879 5.0933683544795985 0.797137000777412 1.9121332089726881 0.5984305360819289 0 0 0 0.21005172717997145 0.9568922670935448 0 0 0 0.19226556822042923 0.8256594074511274 0 0 1 1 1 7 11 3 6 3638.5714259728256 4674.256692298053 7894.450953655819 9458.079043759217 8532.478350746484 37.097876142163784 39.328367908530254 69.76702089833634 89.75957276113172 85.98137965698845 0.36050359855100217 -0.12996085324723836 -0.06741123610501365 0.003701356575149109 0.01607691337767555 3 4 53.431935999999986 88.01406399999999 +0417_00003 11.996141427024558 16.005400104084867 -0.45275595614627695 0.19332547687314192 4.373707088881385 10.35938597628192 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46.0680974620323 44.645563611253586 69.17960540792625 82.93298063384549 78.93298063384546 1.4004541538171962 -0.44509415772397165 -0.3772121883261589 0.10426245010762812 -0.143194572512428 7 13 33.630554000000004 65.57544599999997 diff --git a/processed_data/0417/0417_descriptors_isomeric_success.tsv b/processed_data/0417/0417_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..c9571254a --- /dev/null +++ b/processed_data/0417/0417_descriptors_isomeric_success.tsv @@ -0,0 +1,91 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0417_00001 11.849999999999998 15.996927495919174 -0.33039709079183494 0.27626944263232167 4.048237332723833 9.868491906978004 0.23076923076923078 0.503 246.26235840858513 0 5 2.34 9 11 19 0 32 0 0 -0.4625000000000011 0.213906250000001 69.844 1 2 2 1 1 0 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13,15,44,68,73,89,111,128,129,134,200,206,245,259,260,264,268,269,282,316,334,347,353,362,405,425,461,505,508,515,534,540,549,550,575,620,624,626,640,657,661,676,683,733,778,796,827,947,948,951,962,968,1023 +0417_00027 9,15,41,73,89,92,134,139,153,158,168,170,174,193,200,220,223,245,254,311,326,327,328,330,335,346,347,369,374,381,435,438,446,449,461,473,499,508,513,515,550,554,562,570,573,587,597,617,619,620,626,640,660,676,681,683,705,711,719,724,733,748,780,783,787,790,791,792,860,894,899,905,921,936,941,947,968,974,978,992,1016 +0417_00028 9,15,34,73,89,95,134,139,153,158,167,170,193,200,220,223,245,252,311,326,327,328,330,335,346,347,369,435,438,446,461,473,499,508,510,513,515,550,554,562,570,573,597,619,620,626,640,660,676,683,705,711,719,724,733,748,787,790,791,792,795,899,905,936,947,965,968,970,974,978,1014,1016 +0417_00029 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15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0417_00033 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006 +0417_00034 15,30,42,44,45,73,89,92,129,134,153,170,220,226,245,282,311,326,327,328,330,346,347,348,353,366,369,380,381,393,400,427,435,444,461,473,476,497,503,508,515,522,534,540,550,562,575,597,626,636,637,640,654,657,660,690,705,709,719,724,772,787,790,791,844,884,905,919,936,968,974,1001 +0417_00035 13,15,44,68,73,89,128,129,134,153,170,200,206,220,245,260,264,268,269,282,299,311,316,326,327,330,334,346,347,353,362,369,405,435,461,473,486,504,508,515,534,540,550,562,575,597,620,624,626,628,640,657,660,661,676,683,701,719,724,733,787,791,793,796,827,882,936,947,962,968,974,1023 +0417_00036 4,60,129,133,134,160,238,278,284,304,328,347,508,514,515,549,551,578,626,627,628,640,705,778,825,850,856,881,931,948,968,971 +0417_00037 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0417_00038 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0417_00039 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0417_00040 17,19,49,134,153,178,226,268,270,281,366,419,472,496,515,550,620,626,640,676,715,733,776,786,900,946,947,968,970 +0417_00041 60,72,129,134,278,304,481,508,514,550,578,620,626,627,640,676,712,733,741,763,825,850,881,930,947,968 +0417_00042 21,88,134,148,153,170,226,289,304,312,319,326,353,369,381,430,476,515,550,598,626,640,712,735,743,825,850,875,921,968 +0417_00043 20,21,68,73,89,93,134,141,148,153,163,170,209,220,226,298,304,311,322,326,327,328,330,346,347,353,354,366,369,371,381,430,431,435,454,461,473,476,508,515,550,551,562,596,597,598,626,637,640,660,705,709,712,719,724,727,735,745,787,790,791,825,850,905,908,936,966,968,974,1014 +0417_00044 9,15,17,30,73,89,131,134,138,153,170,220,223,243,245,303,311,326,327,330,335,346,347,353,359,369,385,435,438,446,461,472,473,505,508,513,515,529,550,554,562,570,573,597,626,640,660,661,676,683,705,709,719,724,736,748,750,759,766,772,783,787,790,791,827,899,905,935,936,947,968,970,974,978,997 +0417_00045 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0417_00046 17,43,72,73,83,89,126,134,139,142,153,170,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,473,476,507,512,515,521,550,553,562,597,616,622,626,640,660,665,676,677,682,705,719,724,775,787,790,791,905,936,947,961,968,970,974,983 +0417_00047 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0417_00048 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0417_00049 7,21,30,42,55,73,77,89,92,93,134,153,159,223,226,245,259,272,311,326,327,328,330,335,341,353,359,361,369,371,374,381,393,429,446,461,476,508,513,515,550,553,562,570,573,587,601,617,626,640,683,719,746,747,748,783,791,836,860,877,894,899,921,936,941,968,970,974,978,992 +0417_00050 4,15,16,17,21,73,89,118,134,144,151,153,170,195,220,245,311,326,327,330,335,346,347,350,353,369,385,418,419,435,438,461,473,500,508,515,529,549,550,562,591,597,626,640,648,660,661,676,683,685,705,707,709,714,719,724,748,750,753,759,778,787,790,791,798,811,824,827,835,872,905,918,935,936,947,948,968,974,978,996,1006 +0417_00051 42,58,73,75,83,89,92,111,114,134,153,201,226,245,256,275,290,311,326,327,330,335,342,353,364,369,374,378,379,461,499,508,532,550,562,587,617,620,626,640,654,663,676,694,717,719,733,783,791,812,827,853,860,865,918,921,936,941,947,950,968,971,974,985,992,1013 +0417_00052 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0417_00053 15,20,44,73,81,85,89,116,118,121,134,151,153,170,226,230,240,258,260,274,284,300,311,326,327,330,339,346,347,369,396,420,435,461,471,473,508,549,557,562,590,616,626,651,660,667,716,719,727,736,744,751,787,791,804,814,833,840,852,864,869,882,900,936,948,950,968,974,977 +0417_00054 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,259,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,535,540,550,552,568,570,586,609,623,626,640,676,678,701,719,727,728,732,750,755,759,761,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0417_00055 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,417,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0417_00056 4,15,57,73,89,92,134,139,153,170,220,230,239,311,326,327,330,333,346,347,355,369,389,435,461,473,486,495,515,549,551,562,566,597,626,660,693,705,711,719,722,724,744,762,778,782,783,787,791,810,841,849,936,948,968,974 +0417_00057 15,21,35,73,89,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,326,327,330,335,346,347,350,353,369,395,419,435,438,442,461,464,473,486,499,500,508,515,550,562,597,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,741,748,753,780,787,791,793,798,827,863,872,918,936,947,948,968,974,996 +0417_00058 4,5,15,16,17,21,89,118,134,153,158,170,195,220,226,242,245,269,330,335,336,347,350,353,361,369,372,381,399,419,435,438,461,473,476,486,500,506,508,515,529,547,550,555,562,588,591,626,640,648,660,661,676,683,711,712,719,724,748,750,753,759,782,785,787,791,798,811,813,816,827,836,872,887,918,935,936,947,968,970,973,974,993,994,996,1006 +0417_00059 11,21,30,42,54,73,77,89,92,93,134,153,159,166,223,226,245,279,311,326,327,330,335,353,359,361,369,374,381,446,461,476,508,513,515,550,562,570,573,586,587,601,613,617,626,640,661,683,719,748,752,783,789,791,823,836,853,860,899,921,936,941,950,968,970,974,978,992,1013 +0417_00060 17,26,72,73,89,122,134,153,160,170,212,220,260,295,299,304,311,326,327,330,346,347,369,405,435,461,473,486,515,550,562,597,602,620,626,628,640,660,676,712,719,724,733,741,763,787,791,792,804,813,825,850,870,882,907,936,947,968,974,1005 +0417_00061 15,44,73,89,128,129,134,153,170,200,206,220,226,245,260,264,282,299,311,316,326,327,330,334,346,347,353,362,369,381,405,435,444,461,473,476,486,503,504,508,515,534,540,550,562,575,597,624,626,628,636,637,640,657,660,661,683,701,719,724,787,791,793,796,844,882,904,936,962,968,974,1023 +0417_00062 13,15,29,44,68,73,74,89,92,129,134,153,170,220,245,260,269,282,288,296,311,322,326,327,330,346,347,348,362,369,416,435,446,461,473,508,515,534,540,550,555,562,569,575,597,626,628,640,654,657,660,676,719,724,756,759,787,791,812,875,882,902,927,936,947,968,974 +0417_00063 15,16,17,21,35,89,96,110,118,123,134,153,170,177,195,210,215,220,245,260,270,272,283,311,320,330,336,347,353,362,369,392,399,419,435,438,461,473,486,487,500,508,512,515,529,547,550,555,562,568,579,587,626,640,648,654,660,661,675,676,678,679,683,714,719,724,727,734,748,750,753,759,785,787,791,798,816,827,855,863,872,918,935,936,947,948,968,974,994,1006 +0417_00064 9,15,73,89,128,134,139,153,170,200,220,223,243,245,260,299,311,316,326,327,330,335,346,347,353,369,435,438,446,461,469,473,486,499,508,513,515,550,554,562,570,573,597,619,620,626,628,640,660,661,676,683,687,701,719,724,733,736,748,787,791,793,827,882,899,936,947,968,974,978,1016,1017 +0417_00065 1,15,16,17,20,21,39,89,118,134,153,170,195,220,226,245,269,330,335,347,350,353,361,369,381,399,419,435,438,461,473,476,500,508,515,529,544,550,552,555,562,588,591,626,640,648,660,661,676,683,719,724,727,748,750,753,759,762,785,787,791,798,811,827,872,886,918,935,936,947,948,951,968,970,974,989,996,1006 +0417_00066 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0417_00067 4,17,20,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,358,369,387,400,435,438,440,461,473,512,515,521,529,549,553,562,597,616,622,626,629,640,656,660,661,676,677,682,705,707,719,724,752,778,787,790,791,856,877,905,936,947,948,961,968,970,974,983 +0417_00068 9,15,73,89,128,134,139,153,170,200,220,223,243,245,260,299,311,316,326,327,330,335,346,347,353,369,435,438,446,461,469,473,486,499,508,513,515,550,554,562,570,573,597,619,620,626,628,640,660,661,676,683,687,701,719,724,733,736,748,787,791,793,827,882,899,936,947,968,974,978,1016,1017 +0417_00069 4,14,15,20,26,35,42,44,72,84,89,92,99,111,121,134,151,166,175,222,223,233,245,260,273,300,339,347,358,365,383,398,409,437,461,465,468,471,472,473,506,508,509,524,549,550,555,566,621,622,661,662,677,681,688,689,700,705,709,716,717,727,744,778,823,828,833,840,844,845,848,849,864,869,890,917,948,950,957,959,964,968,970,971,972 +0417_00070 15,20,21,26,27,36,73,86,89,93,94,120,130,134,141,147,148,206,226,304,313,347,353,369,371,381,430,476,490,508,515,518,538,543,547,550,551,570,598,626,640,674,712,717,719,727,735,737,762,768,819,822,825,836,850,887,888,924,936,968,985,994,1011,1021 +0417_00071 12,38,42,73,89,134,153,170,195,220,226,245,269,277,295,311,326,327,330,335,346,347,353,361,369,381,435,461,473,476,508,515,550,562,586,597,626,640,644,660,661,683,719,724,744,748,753,762,787,791,797,798,803,805,810,811,827,835,840,901,922,927,936,948,949,968,970,974,1007,1016 +0417_00072 12,17,20,42,49,73,89,101,121,134,141,153,170,178,220,270,281,282,302,311,326,327,330,339,346,347,353,369,387,435,461,473,508,515,530,550,562,563,580,597,620,626,640,660,676,705,719,724,727,728,733,743,786,787,790,791,805,850,905,936,947,951,954,968,970,974,1020 +0417_00073 81,96,117,134,153,208,220,245,272,330,339,356,358,369,385,393,396,405,407,424,432,440,452,481,487,499,503,506,510,542,550,585,616,654,662,683,714,735,741,762,772,786,796,797,828,910,911,927,948,968 +0417_00074 11,13,15,25,26,35,39,44,53,60,73,83,85,89,91,99,102,107,111,115,134,144,146,153,170,173,190,210,214,215,222,240,246,252,260,261,269,274,280,285,288,311,320,323,326,327,330,332,336,343,346,347,369,381,384,400,426,435,456,461,467,473,477,478,492,494,499,514,517,524,527,538,540,547,562,566,576,579,592,596,603,608,626,651,660,672,678,685,694,704,719,727,728,739,740,746,757,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0417_00075 4,15,24,59,73,89,94,121,129,134,153,175,195,201,214,226,270,273,281,283,301,306,311,326,347,353,360,363,378,389,408,461,486,515,549,550,570,626,640,666,705,706,711,713,715,724,753,776,777,778,782,783,814,837,858,948,951,968,998,999 +0417_00076 11,13,15,25,26,35,39,44,53,60,83,89,91,98,99,102,111,115,134,138,144,146,153,170,173,210,214,215,222,227,252,260,261,269,274,280,285,288,311,314,320,323,326,330,332,343,347,381,384,385,392,395,400,426,435,439,456,461,467,473,477,478,492,494,499,514,517,524,538,540,547,562,566,592,596,603,608,626,651,672,685,704,719,727,728,739,740,746,757,760,770,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0417_00077 15,33,73,83,89,114,134,153,170,220,240,245,256,260,272,290,311,316,326,327,330,335,346,347,364,369,382,435,461,473,481,490,505,508,515,532,548,549,550,562,597,626,628,654,660,666,667,694,699,707,717,719,724,778,782,787,791,801,812,827,882,925,936,948,950,958,968,974,980,1006,1022 +0417_00078 9,15,35,89,110,128,134,153,170,200,210,215,220,223,243,245,260,299,311,316,320,335,336,347,353,369,392,399,435,438,446,461,469,473,481,486,505,508,512,513,515,547,549,550,554,555,562,570,573,579,619,626,628,640,660,661,666,683,687,701,719,724,727,734,736,748,778,785,787,791,793,812,816,827,863,882,899,936,948,968,974,978,980,994,1016,1017 +0417_00079 15,26,35,89,93,98,128,134,170,210,215,220,245,260,299,311,316,320,326,335,347,350,353,379,435,438,442,459,461,464,473,486,499,500,508,515,550,562,620,626,628,640,661,676,683,687,697,701,719,724,727,733,741,748,780,793,797,798,827,835,863,918,922,936,947,948,968,974,1007 +0417_00080 9,15,35,89,126,128,134,153,154,170,173,200,210,215,220,223,243,245,260,277,311,316,320,326,327,330,335,346,347,353,369,400,435,438,446,461,467,469,477,481,486,505,508,513,515,549,550,554,562,570,573,608,619,626,628,640,651,661,666,683,687,701,719,727,734,736,748,754,760,770,778,787,791,793,804,812,827,863,883,899,936,939,948,968,974,978,980,1016,1017 +0417_00081 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0417_00082 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0417_00083 4,15,17,44,73,89,129,134,192,197,206,226,245,264,282,303,334,347,353,362,405,423,444,461,508,515,529,534,540,549,550,575,618,624,626,636,640,656,657,661,676,683,705,709,735,750,759,778,796,904,947,948,962,968,979,991 +0417_00084 9,15,29,54,134,139,200,223,245,294,335,359,383,420,442,446,461,499,508,513,515,550,573,619,620,626,639,640,654,676,733,748,756,759,799,899,927,931,936,947,968,984,1016 +0417_00085 15,16,17,26,93,98,134,245,260,326,335,347,350,353,379,438,459,461,481,500,505,508,515,529,549,550,626,640,661,666,676,683,748,750,759,775,778,797,798,812,827,835,918,922,935,936,947,948,968,980,1006,1007 +0417_00086 15,16,17,33,83,89,114,134,245,256,260,290,335,347,353,364,394,435,461,481,505,508,515,523,529,549,550,560,626,640,661,666,676,683,717,750,759,778,801,812,826,827,874,918,925,936,947,948,950,958,968,980 +0417_00087 10,11,14,42,75,138,153,172,247,259,262,391,438,451,461,494,508,521,551,777,778,786,795,820,909,915,948,963 +0417_00088 15,16,17,21,73,89,118,134,153,170,195,220,245,263,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,562,592,597,619,626,640,648,660,661,676,683,719,724,748,750,752,753,759,787,791,794,798,807,827,872,918,935,936,947,968,970,974,996,1006 +0417_00089 15,16,17,21,50,73,89,118,134,138,150,153,167,170,174,195,220,245,311,312,326,327,330,335,346,347,350,353,369,419,435,438,458,461,473,500,508,515,529,541,550,562,588,591,597,626,640,648,660,661,676,683,718,719,724,748,750,753,759,787,791,798,811,827,872,918,929,935,936,947,968,970,974,996,1006 +0417_00090 1,15,16,17,20,21,39,89,118,134,153,170,195,220,226,245,269,330,335,347,350,353,361,369,381,399,419,435,438,461,473,476,500,508,515,529,544,550,552,555,562,588,591,626,640,648,660,661,676,683,719,724,727,748,750,753,759,762,785,787,791,798,811,827,872,886,918,935,936,947,948,951,968,970,974,989,996,1006 diff --git a/processed_data/0417/0417_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0417/0417_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..a45f215cc --- /dev/null +++ b/processed_data/0417/0417_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,91 @@ +id bits.on +0417_00001 20,28,33,83,94,96,107,115,134,153,207,244,248,272,366,372,383,389,479,487,503,508,516,522,550,554,603,626,654,662,684,714,727,739,762,778,786,790,797,802,812,886,893,896,948,968,978,982 +0417_00002 14,15,20,26,27,35,80,89,93,94,134,159,161,169,179,193,215,222,238,245,250,252,253,268,274,282,285,289,290,365,377,384,385,401,443,466,473,483,495,499,508,510,516,540,554,570,572,595,604,626,629,636,656,674,678,695,727,747,755,772,819,836,851,883,916,936,948,964,968,979,1009,1014 +0417_00003 4,17,43,72,73,83,89,126,134,139,142,153,170,201,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,369,400,435,438,440,461,473,512,515,521,549,550,553,562,597,616,622,626,640,660,662,665,666,676,677,682,705,707,719,724,778,787,790,791,858,861,905,936,947,948,961,968,974,979,983 +0417_00004 4,9,15,30,35,89,98,110,128,134,153,170,197,210,215,220,223,243,245,260,299,303,311,316,320,335,336,347,353,359,369,385,392,399,435,438,446,461,469,473,486,508,512,513,515,547,549,550,554,555,562,570,573,579,618,626,628,640,660,661,683,687,701,705,709,719,724,727,734,736,748,772,778,783,785,787,791,793,816,827,863,882,899,936,948,968,970,974,978,994,1017 +0417_00005 20,29,37,53,68,72,77,93,134,141,163,261,298,304,330,353,354,361,508,515,550,551,578,620,626,637,640,676,712,713,727,733,741,763,825,850,947,952,955,968 +0417_00006 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0417_00007 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0417_00008 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0417_00009 3,8,14,15,20,26,30,60,73,89,94,134,135,139,151,153,154,161,167,169,170,184,185,193,198,220,222,238,244,245,260,267,285,287,289,321,326,347,348,363,390,422,423,425,435,461,467,479,494,499,508,513,526,540,556,562,570,608,609,626,635,636,640,642,651,656,677,689,696,698,710,711,719,727,733,760,770,772,790,804,805,819,822,831,838,872,878,883,885,915,916,922,934,936,938,948,956,963,965,968,974,978,980,995,1006,1009,1010,1014,1022 +0417_00010 8,14,15,20,26,27,30,34,35,44,60,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,252,260,267,274,282,285,289,311,320,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,477,479,482,494,495,499,508,562,565,572,604,608,626,630,635,636,651,656,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,863,872,883,915,916,936,938,939,948,956,964,968,974,980,995,1009,1010,1014,1022 +0417_00011 8,14,15,20,26,27,30,34,44,60,73,80,89,94,134,139,151,153,154,161,170,173,174,193,210,215,220,222,238,240,252,260,267,274,282,285,289,311,323,326,327,330,334,346,347,348,363,369,377,390,399,425,435,461,467,473,479,482,494,495,499,508,562,565,572,576,604,608,626,630,635,636,651,656,660,669,674,677,690,693,699,712,719,725,727,734,747,755,760,769,770,772,787,791,804,805,807,819,822,831,832,852,857,872,883,915,916,936,938,948,956,964,968,974,980,995,1009,1010,1014,1022 +0417_00012 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0417_00013 15,16,17,26,73,89,93,131,134,138,144,153,170,220,245,303,311,326,327,330,335,346,347,353,369,379,435,438,461,472,473,500,505,508,514,515,527,529,550,562,597,626,640,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,797,798,811,827,835,905,918,922,935,936,947,968,970,974,1006,1007 +0417_00014 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0417_00015 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0417_00016 15,29,33,83,114,126,134,204,245,256,260,272,290,335,347,364,461,481,505,508,515,532,548,549,550,626,640,654,666,676,694,717,756,759,778,782,801,812,827,917,925,927,936,947,948,950,958,968,980,1006 +0417_00017 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,417,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0417_00018 9,15,30,54,73,89,92,134,153,158,159,167,168,223,226,245,284,295,311,326,327,328,330,335,353,359,361,369,374,381,384,438,446,461,476,508,513,515,550,554,562,569,570,573,587,617,626,640,683,711,719,748,772,783,791,816,836,860,889,894,899,921,936,941,968,970,974,978,992,1004 +0417_00019 9,15,54,73,89,92,134,139,153,158,167,168,200,223,245,284,295,311,326,327,328,330,335,353,369,374,384,438,446,461,499,508,513,515,550,554,562,569,570,573,587,617,619,620,626,640,676,683,711,719,733,748,783,791,816,860,889,894,899,921,936,941,947,968,974,978,992,1004,1016 +0417_00020 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0417_00021 42,74,134,153,173,192,226,245,274,328,353,400,434,437,452,459,461,465,466,508,524,544,550,566,568,626,640,657,714,717,748,933,968,997 +0417_00022 4,15,54,134,167,192,201,245,274,301,303,347,353,397,400,452,461,508,515,544,549,566,568,604,626,640,674,689,705,743,748,778,839,845,944,948,968,1001,1016 +0417_00023 4,15,16,17,21,73,89,118,133,134,153,170,178,195,220,223,245,284,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,549,562,597,626,640,648,660,661,676,683,705,707,719,724,748,750,753,759,778,787,791,798,807,827,856,872,918,935,936,947,948,968,974,984,996,1006 +0417_00024 15,16,17,21,73,89,118,131,134,138,144,153,170,195,220,245,303,311,326,327,330,335,346,347,350,353,369,419,435,438,461,472,473,500,505,508,514,515,529,550,562,588,591,597,626,640,648,660,661,676,683,705,709,719,724,748,750,753,759,787,790,791,798,811,827,872,905,918,935,936,947,968,970,974,996,1006 +0417_00025 15,17,44,73,89,129,134,206,226,245,264,282,334,353,362,369,381,405,444,461,476,503,508,515,529,534,540,550,575,624,626,636,637,640,657,661,676,683,735,750,759,796,844,904,947,962,968,979,991 +0417_00026 13,15,44,68,73,89,111,128,129,134,200,206,245,259,260,264,268,269,282,316,334,347,353,362,405,425,461,505,508,515,534,540,549,550,575,620,624,626,640,657,661,676,683,733,778,796,827,947,948,951,962,968,1023 +0417_00027 9,15,41,73,89,92,134,139,153,158,168,170,174,193,200,220,223,245,254,311,326,327,328,330,335,346,347,369,374,381,435,438,446,449,461,473,499,508,513,515,550,554,562,570,573,587,597,617,619,620,626,640,660,676,681,683,705,711,719,724,733,748,780,783,787,790,791,792,860,894,899,905,921,936,941,947,968,974,978,992,1016 +0417_00028 9,15,34,73,89,95,134,139,153,158,167,170,193,200,220,223,245,252,311,326,327,328,330,335,346,347,369,435,438,446,461,473,499,508,510,513,515,550,554,562,570,573,597,619,620,626,640,660,676,683,705,711,719,724,733,748,787,790,791,792,795,899,905,936,947,965,968,970,974,978,1014,1016 +0417_00029 15,21,35,89,128,134,170,195,210,215,219,220,245,260,299,311,316,320,330,335,347,350,353,395,419,435,438,442,461,464,473,481,486,499,500,508,515,550,562,620,626,628,640,648,661,676,683,687,697,701,719,724,727,733,741,748,753,780,793,798,827,863,872,918,936,947,948,968,974,996 +0417_00030 15,16,17,21,73,89,126,134,153,154,170,173,195,219,220,240,245,260,311,326,327,330,335,346,347,350,353,369,395,419,435,438,448,461,467,478,499,500,508,515,529,550,562,576,608,620,626,640,648,651,660,661,676,683,719,733,734,748,750,754,759,760,770,780,787,791,798,804,827,872,883,918,935,936,947,968,974,996,1006 +0417_00031 13,15,16,17,21,35,89,134,153,170,195,203,210,215,219,220,245,246,260,284,311,320,326,327,330,335,336,347,350,353,394,395,419,435,438,461,467,477,499,500,508,515,529,550,562,597,608,620,626,640,648,651,661,676,683,719,724,727,733,748,750,753,759,780,787,791,798,804,827,863,872,914,918,935,936,939,947,948,968,974,996,1001,1006,1017 +0417_00032 15,16,17,21,35,89,110,118,134,153,170,195,210,215,220,226,245,260,269,311,320,330,335,336,347,350,353,361,369,381,392,399,419,435,438,461,473,476,486,500,508,512,515,529,547,550,555,562,579,588,591,626,640,648,660,661,676,683,719,724,727,734,748,750,753,759,785,787,791,798,811,816,827,863,872,918,935,936,947,948,968,970,974,994,996,1006 +0417_00033 4,15,16,17,21,35,89,110,118,134,153,170,195,201,210,215,220,226,245,260,269,272,311,320,330,335,336,347,350,353,369,385,392,399,419,435,438,461,473,486,500,508,512,515,529,547,549,550,555,562,579,591,626,640,648,660,661,662,666,676,683,705,707,719,724,727,734,748,750,753,759,778,785,787,791,798,811,816,827,858,863,872,918,935,936,947,948,968,974,979,994,996,1006 +0417_00034 15,30,42,44,45,73,89,92,129,134,153,170,220,226,245,282,311,326,327,328,330,346,347,348,353,366,369,380,381,393,400,427,435,444,461,473,476,497,503,508,515,522,534,540,550,562,575,597,626,636,637,640,654,657,660,690,705,709,719,724,772,787,790,791,844,884,905,919,936,968,974,1001 +0417_00035 13,15,44,68,73,89,128,129,134,153,170,200,206,220,245,260,264,268,269,282,299,311,316,326,327,330,334,346,347,353,362,369,405,435,461,473,486,504,508,515,534,540,550,562,575,597,620,624,626,628,640,657,660,661,676,683,701,719,724,733,787,791,793,796,827,882,936,947,962,968,974,1023 +0417_00036 4,60,129,133,134,160,238,278,284,304,328,347,508,514,515,549,551,578,626,627,628,640,705,778,825,850,856,881,931,948,968,971 +0417_00037 20,29,94,134,141,148,177,188,204,268,304,405,469,487,508,510,515,550,551,586,626,640,676,727,781,792,825,829,833,850,887,968,995 +0417_00038 20,94,134,169,211,328,353,396,456,458,508,515,592,626,640,648,660,727,752,897,930,968 +0417_00039 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0417_00040 17,19,49,134,153,178,226,268,270,281,366,419,472,496,515,550,620,626,640,676,715,733,776,786,900,946,947,968,970 +0417_00041 60,72,129,134,278,304,481,508,514,550,578,620,626,627,640,676,712,733,741,763,825,850,881,930,947,968 +0417_00042 21,88,134,148,153,170,226,289,304,312,319,326,353,369,381,430,476,515,550,598,626,640,712,735,743,825,850,875,921,968 +0417_00043 20,21,68,73,89,93,134,141,148,153,163,170,209,220,226,298,304,311,322,326,327,328,330,346,347,353,354,366,369,371,381,430,431,435,454,461,473,476,508,515,550,551,562,596,597,598,626,637,640,660,705,709,712,719,724,727,735,745,787,790,791,825,850,905,908,936,966,968,974,1014 +0417_00044 9,15,17,30,73,89,131,134,138,153,170,220,223,243,245,303,311,326,327,330,335,346,347,353,359,369,385,435,438,446,461,472,473,505,508,513,515,529,550,554,562,570,573,597,626,640,660,661,676,683,705,709,719,724,736,748,750,759,766,772,783,787,790,791,827,899,905,935,936,947,968,970,974,978,997 +0417_00045 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0417_00046 17,43,72,73,83,89,126,134,139,142,153,170,220,226,237,239,265,277,311,326,327,330,335,336,342,346,347,353,361,369,381,400,435,438,440,461,473,476,507,512,515,521,550,553,562,597,616,622,626,640,660,665,676,677,682,705,719,724,775,787,790,791,905,936,947,961,968,970,974,983 +0417_00047 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0417_00048 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0417_00049 7,21,30,42,55,73,77,89,92,93,134,153,159,223,226,245,259,272,311,326,327,328,330,335,341,353,359,361,369,371,374,381,393,429,446,461,476,508,513,515,550,553,562,570,573,587,601,617,626,640,683,719,746,747,748,783,791,836,860,877,894,899,921,936,941,968,970,974,978,992 +0417_00050 4,15,16,17,21,73,89,118,134,144,151,153,170,195,220,245,311,326,327,330,335,346,347,350,353,369,385,418,419,435,438,461,473,500,508,515,529,549,550,562,591,597,626,640,648,660,661,676,683,685,705,707,709,714,719,724,748,750,753,759,778,787,790,791,798,811,824,827,835,872,905,918,935,936,947,948,968,974,978,996,1006 +0417_00051 42,58,73,75,83,89,92,111,114,134,153,201,226,245,256,275,290,311,326,327,330,335,342,353,364,369,374,378,379,461,499,508,532,550,562,587,617,620,626,640,654,663,676,694,717,719,733,783,791,812,827,853,860,865,918,921,936,941,947,950,968,971,974,985,992,1013 +0417_00052 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0417_00053 15,20,44,73,81,85,89,116,118,121,134,151,153,170,226,230,240,258,260,274,284,300,311,326,327,330,339,346,347,369,396,420,435,461,471,473,508,549,557,562,590,616,626,651,660,667,716,719,727,736,744,751,787,791,804,814,833,840,852,864,869,882,900,936,948,950,968,974,977 +0417_00054 4,5,15,17,24,26,32,40,42,54,73,78,85,89,106,129,134,168,182,222,226,259,264,311,330,339,353,369,381,423,444,446,461,467,476,503,507,515,534,535,540,550,552,568,570,586,609,623,626,640,676,678,701,719,727,728,732,750,755,759,761,783,787,825,831,836,837,876,888,936,941,947,968,980,983,998,1005,1015,1022 +0417_00055 7,42,55,73,77,89,92,93,134,139,153,223,245,259,272,311,326,327,328,330,335,341,369,371,374,393,417,429,446,460,461,499,508,513,550,553,562,570,573,587,601,617,619,620,626,640,676,683,719,733,746,747,748,783,791,860,877,894,899,921,936,941,947,968,974,978,992,1016 +0417_00056 4,15,57,73,89,92,134,139,153,170,220,230,239,311,326,327,330,333,346,347,355,369,389,435,461,473,486,495,515,549,551,562,566,597,626,660,693,705,711,719,722,724,744,762,778,782,783,787,791,810,841,849,936,948,968,974 +0417_00057 15,21,35,73,89,118,128,134,153,170,195,210,215,219,220,245,260,299,311,316,320,326,327,330,335,346,347,350,353,369,395,419,435,438,442,461,464,473,486,499,500,508,515,550,562,597,620,626,628,640,648,660,661,676,683,687,697,701,719,724,727,733,741,748,753,780,787,791,793,798,827,863,872,918,936,947,948,968,974,996 +0417_00058 4,5,15,16,17,21,89,118,134,153,158,170,195,220,226,242,245,269,330,335,336,347,350,353,361,369,372,381,399,419,435,438,461,473,476,486,500,506,508,515,529,547,550,555,562,588,591,626,640,648,660,661,676,683,711,712,719,724,748,750,753,759,782,785,787,791,798,811,813,816,827,836,872,887,918,935,936,947,968,970,973,974,993,994,996,1006 +0417_00059 11,21,30,42,54,73,77,89,92,93,134,153,159,166,223,226,245,279,311,326,327,330,335,353,359,361,369,374,381,446,461,476,508,513,515,550,562,570,573,586,587,601,613,617,626,640,661,683,719,748,752,783,789,791,823,836,853,860,899,921,936,941,950,968,970,974,978,992,1013 +0417_00060 17,26,72,73,89,122,134,153,160,170,212,220,260,295,299,304,311,326,327,330,346,347,369,405,435,461,473,486,515,550,562,597,602,620,626,628,640,660,676,712,719,724,733,741,763,787,791,792,804,813,825,850,870,882,907,936,947,968,974,1005 +0417_00061 15,44,73,89,128,129,134,153,170,200,206,220,226,245,260,264,282,299,311,316,326,327,330,334,346,347,353,362,369,381,405,435,444,461,473,476,486,503,504,508,515,534,540,550,562,575,597,624,626,628,636,637,640,657,660,661,683,701,719,724,787,791,793,796,844,882,904,936,962,968,974,1023 +0417_00062 13,15,29,44,68,73,74,89,92,129,134,153,170,220,245,260,269,282,288,296,311,322,326,327,330,346,347,348,362,369,416,435,446,461,473,508,515,534,540,550,555,562,569,575,597,626,628,640,654,657,660,676,719,724,756,759,787,791,812,875,882,902,927,936,947,968,974 +0417_00063 15,16,17,21,35,89,96,110,118,123,134,153,170,177,195,210,215,220,245,260,270,272,283,311,320,330,336,347,353,362,369,392,399,419,435,438,461,473,486,487,500,508,512,515,529,547,550,555,562,568,579,587,626,640,648,654,660,661,675,676,678,679,683,714,719,724,727,734,748,750,753,759,785,787,791,798,816,827,855,863,872,918,935,936,947,948,968,974,994,1006 +0417_00064 9,15,73,89,128,134,139,153,170,200,220,223,243,245,260,299,311,316,326,327,330,335,346,347,353,369,435,438,446,461,469,473,486,499,508,513,515,550,554,562,570,573,597,619,620,626,628,640,660,661,676,683,687,701,719,724,733,736,748,787,791,793,827,882,899,936,947,968,974,978,1016,1017 +0417_00065 1,15,16,17,20,21,39,89,118,134,153,170,195,220,226,245,269,330,335,347,350,353,361,369,381,399,419,435,438,461,473,476,500,508,515,529,544,550,552,555,562,588,591,626,640,648,660,661,676,683,719,724,727,748,750,753,759,762,785,787,791,798,811,827,872,886,918,935,936,947,948,951,968,970,974,989,996,1006 +0417_00066 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0417_00067 4,17,20,72,73,83,89,126,134,139,142,153,170,220,231,239,265,277,311,326,327,328,330,335,336,342,346,347,353,358,369,387,400,435,438,440,461,473,512,515,521,529,549,553,562,597,616,622,626,629,640,656,660,661,676,677,682,705,707,719,724,752,778,787,790,791,856,877,905,936,947,948,961,968,970,974,983 +0417_00068 9,15,73,89,128,134,139,153,170,200,220,223,243,245,260,299,311,316,326,327,330,335,346,347,353,369,435,438,446,461,469,473,486,499,508,513,515,550,554,562,570,573,597,619,620,626,628,640,660,661,676,683,687,701,719,724,733,736,748,787,791,793,827,882,899,936,947,968,974,978,1016,1017 +0417_00069 4,14,15,20,26,35,42,44,72,84,89,92,99,111,121,134,151,166,175,222,223,233,245,260,273,300,339,347,358,365,383,398,409,437,461,465,468,471,472,473,506,508,509,524,549,550,555,566,621,622,661,662,677,681,688,689,700,705,709,716,717,727,744,778,823,828,833,840,844,845,848,849,864,869,890,917,948,950,957,959,964,968,970,971,972 +0417_00070 15,20,21,26,27,36,73,86,89,93,94,120,130,134,141,147,148,206,226,304,313,347,353,369,371,381,430,476,490,508,515,518,538,543,547,550,551,570,598,626,640,674,712,717,719,727,735,737,762,768,819,822,825,836,850,887,888,924,936,968,985,994,1011,1021 +0417_00071 12,38,42,73,89,134,153,170,195,220,226,245,269,277,295,311,326,327,330,335,346,347,353,361,369,381,435,461,473,476,508,515,550,562,586,597,626,640,644,660,661,683,719,724,744,748,753,762,787,791,797,798,803,805,810,811,827,835,840,901,922,927,936,948,949,968,970,974,1007,1016 +0417_00072 12,17,20,42,49,73,89,101,121,134,141,153,170,178,220,270,281,282,302,311,326,327,330,339,346,347,353,369,387,435,461,473,508,515,530,550,562,563,580,597,620,626,640,660,676,705,719,724,727,728,733,743,786,787,790,791,805,850,905,936,947,951,954,968,970,974,1020 +0417_00073 81,96,117,134,153,208,220,245,272,330,339,356,358,369,385,393,396,405,407,424,432,440,452,481,487,499,503,506,510,542,550,585,616,654,662,683,714,735,741,762,772,786,796,797,828,910,911,927,948,968 +0417_00074 11,13,15,25,26,35,39,44,53,60,73,83,85,89,91,99,102,107,111,115,134,144,146,153,170,173,190,210,214,215,222,240,246,252,260,261,269,274,280,285,288,311,320,323,326,327,330,332,336,343,346,347,369,381,384,400,426,435,456,461,467,473,477,478,492,494,499,514,517,524,527,538,540,547,562,566,576,579,592,596,603,608,626,651,660,672,678,685,694,704,719,727,728,739,740,746,757,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0417_00075 4,15,24,59,73,89,94,121,129,134,153,175,195,201,214,226,270,273,281,283,301,306,311,326,347,353,360,363,378,389,408,461,486,515,549,550,570,626,640,666,705,706,711,713,715,724,753,776,777,778,782,783,814,837,858,948,951,968,998,999 +0417_00076 11,13,15,25,26,35,39,44,53,60,83,89,91,98,99,102,111,115,134,138,144,146,153,170,173,210,214,215,222,227,252,260,261,269,274,280,285,288,311,314,320,323,326,330,332,343,347,381,384,385,392,395,400,426,435,439,456,461,467,473,477,478,492,494,499,514,517,524,538,540,547,562,566,592,596,603,608,626,651,672,685,704,719,727,728,739,740,746,757,760,770,772,780,782,786,787,791,804,822,832,863,873,890,896,917,936,939,948,950,964,968,974,993,1004,1020 +0417_00077 15,33,73,83,89,114,134,153,170,220,240,245,256,260,272,290,311,316,326,327,330,335,346,347,364,369,382,435,461,473,481,490,505,508,515,532,548,549,550,562,597,626,628,654,660,666,667,694,699,707,717,719,724,778,782,787,791,801,812,827,882,925,936,948,950,958,968,974,980,1006,1022 +0417_00078 9,15,35,89,110,128,134,153,170,200,210,215,220,223,243,245,260,299,311,316,320,335,336,347,353,369,392,399,435,438,446,461,469,473,481,486,505,508,512,513,515,547,549,550,554,555,562,570,573,579,619,626,628,640,660,661,666,683,687,701,719,724,727,734,736,748,778,785,787,791,793,812,816,827,863,882,899,936,948,968,974,978,980,994,1016,1017 +0417_00079 15,26,35,89,93,98,128,134,170,210,215,220,245,260,299,311,316,320,326,335,347,350,353,379,435,438,442,459,461,464,473,486,499,500,508,515,550,562,620,626,628,640,661,676,683,687,697,701,719,724,727,733,741,748,780,793,797,798,827,835,863,918,922,936,947,948,968,974,1007 +0417_00080 9,15,35,89,126,128,134,153,154,170,173,200,210,215,220,223,243,245,260,277,311,316,320,326,327,330,335,346,347,353,369,400,435,438,446,461,467,469,477,481,486,505,508,513,515,549,550,554,562,570,573,608,619,626,628,640,651,661,666,683,687,701,719,727,734,736,748,754,760,770,778,787,791,793,804,812,827,863,883,899,936,939,948,968,974,978,980,1016,1017 +0417_00081 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0417_00082 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0417_00083 4,15,17,44,73,89,129,134,192,197,206,226,245,264,282,303,334,347,353,362,405,423,444,461,508,515,529,534,540,549,550,575,618,624,626,636,640,656,657,661,676,683,705,709,735,750,759,778,796,904,947,948,962,968,979,991 +0417_00084 9,15,29,54,134,139,200,223,245,294,335,359,383,420,442,446,461,499,508,513,515,550,573,619,620,626,639,640,654,676,733,748,756,759,799,899,927,931,936,947,968,984,1016 +0417_00085 15,16,17,26,93,98,134,245,260,326,335,347,350,353,379,438,459,461,481,500,505,508,515,529,549,550,626,640,661,666,676,683,748,750,759,775,778,797,798,812,827,835,918,922,935,936,947,948,968,980,1006,1007 +0417_00086 15,16,17,33,83,89,114,134,245,256,260,290,335,347,353,364,394,435,461,481,505,508,515,523,529,549,550,560,626,640,661,666,676,683,717,750,759,778,801,812,826,827,874,918,925,936,947,948,950,958,968,980 +0417_00087 10,11,14,42,75,138,153,172,247,259,262,391,438,451,461,494,508,521,551,777,778,786,795,820,909,915,948,963 +0417_00088 15,16,17,21,73,89,118,134,153,170,195,220,245,263,311,326,327,328,330,335,346,347,350,353,369,419,435,438,461,473,500,508,515,529,538,562,592,597,619,626,640,648,660,661,676,683,719,724,748,750,752,753,759,787,791,794,798,807,827,872,918,935,936,947,968,970,974,996,1006 +0417_00089 15,16,17,21,30,50,85,89,92,134,138,150,153,167,174,200,216,220,229,245,278,300,311,312,323,326,330,335,347,353,419,438,442,458,461,493,500,508,515,523,529,533,541,550,557,562,588,591,626,640,648,661,676,683,703,718,719,743,748,750,759,798,811,827,872,918,929,935,936,947,968,970,974,996,1006 +0417_00090 1,15,16,17,20,21,39,89,118,134,153,170,195,220,226,245,269,330,335,347,350,353,361,369,381,399,419,435,438,461,473,476,500,508,515,529,544,550,552,555,562,588,591,626,640,648,660,661,676,683,719,724,727,748,750,753,759,762,785,787,791,798,811,827,872,886,918,935,936,947,948,951,968,970,974,989,996,1006 diff --git a/processed_data/0417/0417_fingerprints_maccs_canonical_success.tsv b/processed_data/0417/0417_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..50527f064 --- /dev/null +++ b/processed_data/0417/0417_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,91 @@ +id bits.on +0417_00001 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0417_00002 26,50,54,66,72,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0417_00003 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0417_00004 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00005 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00006 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0417_00007 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0417_00008 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0417_00009 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00010 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00011 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00012 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00013 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00014 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00015 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00016 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00017 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00018 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00019 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00020 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0417_00021 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00022 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00023 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00024 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00025 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00026 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0417_00027 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00028 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00029 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0417_00030 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00031 53,54,57,62,72,82,89,90,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00032 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00033 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00035 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00036 72,89,93,99,113,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0417_00037 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0417_00038 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0417_00039 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0417_00040 53,89,91,113,125,127,131,139,143,145,146,147,152,155,157,159,162,163,164,165 +0417_00041 99,113,127,139,143,152,154,157,159,162,163,164,165 +0417_00042 54,72,82,99,109,113,127,131,139,143,144,146,150,152,153,155,157,159,162,163,164,165 +0417_00043 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00044 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00045 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0417_00046 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0417_00047 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00048 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00049 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00050 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00051 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00052 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00053 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0417_00054 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0417_00055 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00056 53,54,57,62,72,82,83,89,90,91,93,96,98,101,105,109,113,120,123,125,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0417_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00058 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,128,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00059 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00060 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0417_00061 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00062 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00063 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00064 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00065 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00066 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0417_00067 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0417_00068 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00069 50,57,66,72,76,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,108,110,111,112,113,116,117,120,121,122,123,126,127,128,129,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0417_00070 54,66,72,89,90,91,99,104,112,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00071 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00072 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0417_00073 65,83,96,98,105,120,121,125,137,142,145,149,151,156,160,161,162,163,165 +0417_00074 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0417_00075 57,62,72,82,83,89,91,93,96,109,113,125,126,127,128,129,131,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0417_00076 26,50,53,54,57,66,72,76,82,83,85,89,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0417_00077 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00078 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00079 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00080 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00081 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0417_00082 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00083 53,57,62,72,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00084 57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0417_00085 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00086 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00087 47,51,60,61,67,73,78,86,88,93,100,102,108,111,115,116,118,119,124,129,132,138,147,148,153,155,158,160,161,164 +0417_00088 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00089 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00090 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0417/0417_fingerprints_maccs_isomeric_success.tsv b/processed_data/0417/0417_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..50527f064 --- /dev/null +++ b/processed_data/0417/0417_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,91 @@ +id bits.on +0417_00001 54,65,83,90,91,92,95,96,104,105,108,110,111,117,121,123,131,132,136,137,139,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0417_00002 26,50,54,66,72,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0417_00003 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0417_00004 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00005 53,89,99,113,125,127,131,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00006 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0417_00007 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0417_00008 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0417_00009 26,50,53,54,57,66,72,76,82,89,90,91,98,99,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00010 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00011 26,50,53,54,57,66,72,74,76,82,89,90,91,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0417_00012 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00013 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00014 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00015 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00016 57,62,89,93,98,105,113,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00017 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00018 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00019 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00020 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0417_00021 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00022 57,72,89,93,98,105,113,123,125,126,127,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00023 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00024 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00025 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00026 57,62,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0417_00027 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00028 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00029 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0417_00030 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00031 53,54,57,62,72,82,89,90,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00032 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00033 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00034 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00035 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00036 72,89,93,99,113,126,127,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0417_00037 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0417_00038 53,54,72,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0417_00039 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0417_00040 53,89,91,113,125,127,131,139,143,145,146,147,152,155,157,159,162,163,164,165 +0417_00041 99,113,127,139,143,152,154,157,159,162,163,164,165 +0417_00042 54,72,82,99,109,113,127,131,139,143,144,146,150,152,153,155,157,159,162,163,164,165 +0417_00043 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00044 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00045 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0417_00046 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,162,163,164,165 +0417_00047 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00048 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00049 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00050 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00051 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00052 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00053 50,53,54,57,72,76,82,89,90,91,93,96,98,99,105,109,120,123,126,127,128,129,131,132,137,138,139,140,143,145,146,150,152,153,154,155,157,159,160,163,164,165 +0417_00054 53,54,57,62,72,89,90,98,104,105,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0417_00055 53,54,57,62,72,82,83,89,90,91,96,98,105,109,113,120,125,127,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00056 53,54,57,62,72,82,83,89,90,91,93,96,98,101,105,109,113,120,123,125,126,127,128,129,131,132,137,138,139,140,141,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0417_00057 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00058 53,54,57,62,72,89,90,91,98,104,105,109,113,120,123,125,126,127,128,131,132,137,138,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00059 53,54,57,62,72,82,89,90,91,98,105,109,113,120,125,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00060 53,54,57,72,82,89,90,91,98,99,109,113,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,155,157,159,162,163,164,165 +0417_00061 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00062 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00063 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00064 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00065 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00066 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0417_00067 49,53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,155,157,159,160,162,163,164,165 +0417_00068 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00069 50,57,66,72,76,80,83,85,86,89,90,91,92,93,95,96,97,98,99,100,105,108,110,111,112,113,116,117,120,121,122,123,126,127,128,129,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0417_00070 54,66,72,89,90,91,99,104,112,113,123,125,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00071 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00072 53,54,57,72,82,89,90,91,98,109,113,123,125,126,127,131,132,137,139,140,143,144,145,146,147,150,152,153,154,155,157,159,162,163,164,165 +0417_00073 65,83,96,98,105,120,121,125,137,142,145,149,151,156,160,161,162,163,165 +0417_00074 26,50,53,54,57,66,72,76,82,83,85,89,90,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0417_00075 57,62,72,82,83,89,91,93,96,109,113,125,126,127,128,129,131,137,138,139,140,143,144,145,146,149,150,152,153,155,157,159,160,162,163,164,165 +0417_00076 26,50,53,54,57,66,72,76,82,83,85,89,91,96,98,99,100,101,105,108,109,111,112,115,116,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,143,145,146,147,148,149,150,152,153,155,156,157,158,159,160,161,163,164,165 +0417_00077 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00078 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00079 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00080 53,54,57,62,72,82,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0417_00081 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0417_00082 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0417_00083 53,57,62,72,89,91,93,98,105,113,125,126,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00084 57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0417_00085 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00086 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0417_00087 47,51,60,61,67,73,78,86,88,93,100,102,108,111,115,116,118,119,124,129,132,138,147,148,153,155,158,160,161,164 +0417_00088 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00089 49,53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0417_00090 53,54,57,62,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0417/0417_fingerprints_pubchem_canonical_success.tsv b/processed_data/0417/0417_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..9f4258aa2 --- /dev/null +++ b/processed_data/0417/0417_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,91 @@ +id bits.on +0417_00001 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0417_00002 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,580,583,600,618,638,641,661,664,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,825 +0417_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00004 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00005 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0417_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0417_00008 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0417_00009 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00010 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00011 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00012 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00013 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00014 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00015 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00016 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00017 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00018 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0417_00019 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00021 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00022 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00023 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00024 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00025 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00026 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00027 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00029 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00030 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00032 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00033 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00034 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00035 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00036 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0417_00037 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0417_00038 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0417_00039 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00040 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,715,736,741,778,799,804 +0417_00041 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0417_00042 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0417_00043 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00044 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00045 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0417_00046 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00047 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10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00053 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0417_00054 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10,11,12,13,15,16,19,20,21,144,146,147,149,150,151,179,180,181,182,185,186,193,256,284,285,286,287,300,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,393,394,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,477,491,496,499,517,521,525,536,541,542,543,544,545,546,549,550,553,554,557,565,566,567,568,571,574,575,579,580,581,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,616,619,620,627,629,631,634,635,638,639,641,642,646,652,653,656,657,658,660,661,663,665,666,667,669,673,678,679,680,681,684,685,686,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,743,759,762,764,778,799,806,822,825,827 +0417_00070 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,606,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0417_00071 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00072 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00073 10,11,12,13,15,16,144,146,147,179,180,181,182,186,187,193,256,257,258,259,260,262,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,375,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,714,717,735,738,756,759,777,780,798,801,819,822 +0417_00074 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0417_00075 10,11,12,13,19,20,21,144,147,179,180,186,187,256,258,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,627,631,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,736,762,778,799,825 +0417_00076 10,11,12,13,14,15,19,20,21,22,144,145,146,147,151,179,180,181,182,183,186,187,189,193,196,200,203,207,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,431,435,442,447,491,525,541,557,564,568,572,583,593,600,611,614,615,618,638,640,641,642,657,661,662,663,664,679,680,681,682,684,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,819,840,843,861,864 +0417_00077 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00078 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00079 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00080 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00081 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00082 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00083 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00084 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00085 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00086 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00087 10,11,15,19,34,35,284,285,286,294,333,345,346,350,352,354,366,369,375,391,413,415,419,422,454,458,466,508,587,593 +0417_00088 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00089 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00090 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 diff --git a/processed_data/0417/0417_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0417/0417_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..9f4258aa2 --- /dev/null +++ b/processed_data/0417/0417_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,91 @@ +id bits.on +0417_00001 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684,685,686,689,693,696,697,698,705,708,709,710,711,713,759,822 +0417_00002 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,568,572,580,583,600,618,638,641,661,664,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,825 +0417_00003 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00004 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00005 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00006 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0417_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0417_00008 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0417_00009 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,441,442,444,447,453,463,491,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00010 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00011 10,11,12,13,14,19,20,21,22,23,179,180,182,183,186,187,189,193,194,196,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,463,491,525,536,538,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,664,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,706,709,710,711,712,713,777,778,798,799,819,820 +0417_00012 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00013 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00014 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00015 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00016 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00017 10,11,12,13,19,20,21,22,144,147,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00018 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0417_00019 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00021 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00022 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00023 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00024 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00025 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00026 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00027 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00028 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00029 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00030 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00031 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00032 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00033 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00034 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00035 10,11,12,13,19,20,21,22,179,180,182,185,186,187,193,200,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00036 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0417_00037 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,736,799 +0417_00038 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,576,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,640,641,642,652,654,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,741,762,778,799,804,825 +0417_00039 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00040 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,715,736,741,778,799,804 +0417_00041 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0417_00042 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,545,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0417_00043 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00044 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00045 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0417_00046 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00047 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00048 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0417_00049 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,736,741,757,762,778,798,799,804,820,825 +0417_00050 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00051 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,804,820 +0417_00052 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0417_00053 10,11,12,13,19,20,21,22,144,148,179,182,185,186,284,285,287,309,333,334,336,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,477,491,499,525,536,554,557,564,568,572,574,580,583,595,600,611,615,618,620,638,640,641,642,661,662,663,664,667,668,673,679,680,681,682,685,690,691,693,694,701,702,709,710,711,713 +0417_00054 10,11,12,13,14,19,20,21,22,23,179,180,185,186,187,192,193,194,199,200,201,207,208,256,258,260,262,284,285,287,309,333,334,336,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,713,715,735,736,741,757,762,778,798,799,804,820,825 +0417_00055 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10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00078 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00079 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00080 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00081 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00082 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00083 10,11,12,13,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00084 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00085 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0417_00086 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0417_00087 10,11,15,19,34,35,284,285,286,294,333,345,346,350,352,354,366,369,375,391,413,415,419,422,454,458,466,508,587,593 +0417_00088 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00089 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0417_00090 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 diff --git a/processed_data/0417/0417_gradient.tsv b/processed_data/0417/0417_gradient.tsv new file mode 100644 index 000000000..281888d50 --- /dev/null +++ b/processed_data/0417/0417_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 99.5 0.5 +0.1 0.3 99.5 0.5 +10 0.3 20 80 +10.1 0.4 0.5 99.5 +12 0.4 0.5 99.5 diff --git a/processed_data/0417/0417_info.tsv b/processed_data/0417/0417_info.tsv new file mode 100644 index 000000000..6818040ec --- /dev/null +++ b/processed_data/0417/0417_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0417 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_45 flowrate:0.3-0.4 diff --git a/processed_data/0417/0417_metadata.tsv b/processed_data/0417/0417_metadata.tsv new file mode 100644 index 000000000..e1ec4a43a --- /dev/null +++ b/processed_data/0417/0417_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0417 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0 % % % % diff --git a/processed_data/0417/0417_report_canonical.pdf b/processed_data/0417/0417_report_canonical.pdf new file mode 100644 index 000000000..addec58f9 Binary files /dev/null and b/processed_data/0417/0417_report_canonical.pdf differ diff --git a/processed_data/0417/0417_report_isomeric.pdf b/processed_data/0417/0417_report_isomeric.pdf new file mode 100644 index 000000000..d0491b3fe Binary files /dev/null and b/processed_data/0417/0417_report_isomeric.pdf differ diff --git a/processed_data/0417/0417_rtdata_canonical_success.tsv b/processed_data/0417/0417_rtdata_canonical_success.tsv new file mode 100644 index 000000000..3e812e0fc --- /dev/null +++ b/processed_data/0417/0417_rtdata_canonical_success.tsv @@ -0,0 +1,91 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0417_00001 C13H14N2O3 4.53 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0417_00002 C30H48O4 9.75 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) MDZKJHQSJHYOHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0417_00003 C22H23O11 3.2 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1 ZZWPMFROUHHAKY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00004 C28H32O15 4.41 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 GZSOSUNBTXMUFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00005 C15H12O4 6.43 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H DXDRHHKMWQZJHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0417_00006 C9H11NO2 2.32 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0417_00007 C9H8O4 3.44 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00008 C9H8O3 4.01 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00009 C42H62O17 6.34 CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55) WBQVRPYEEYUEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00010 C48H78O18 7.12 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60) PTDAHAWQAGSZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00011 C48H78O19 6.95 CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) WFRQIKSNAYYUJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00012 C15H10O4 5.16 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0417_00013 C21H20O12 4.48 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2 OIUBYZLTFSLSBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00014 C15H10O7 5.37 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00015 C16H12O7 6.14 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00016 C16H12O4 6.67 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0417_00017 C26H28O14 3.4 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00018 C21H20O11 3.59 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0417_00019 C21H20O10 3.95 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 MYXNWGACZJSMBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0417_00020 C15H10O5 5.89 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0417_00021 C9H6O4 3.64 C1=CC(=C(C2=C1C=CC(=O)O2)O)O InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ATEFPOUAMCWAQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7,8-dihydroxycoumarins (CHEMONTID:0002644) NA (NA) +0417_00022 C10H8O4 4.23 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0417_00023 C23H24O13 4.33 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3 JMFWYRWPJVEZPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00024 C27H30O17 3.51 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 RPVIQWDFJPYNJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00025 C15H12O6 5.34 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 SBHXYTNGIZCORC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0417_00026 C16H14O5 7.42 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 DJOJDHGQRNZXQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0417_00027 C27H30O15 3.53 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 HGUVPEBGCAVWID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00028 C21H20O11 4.07 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 VUGRLRAUZWGZJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00029 C27H30O14 3.95 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 PUPKKEQDLNREIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00030 C27H30O16 3.79 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 LKZDFKLGDGSGEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00031 C27H30O15 4.15 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3 YFPYXTNSQOUHPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00032 C27H30O16 3.86 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00033 C28H32O16 4.2 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00034 C21H22O11 3.48 C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2 DGGOLFCPSUVVHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00035 C21H22O10 4.52 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 DLIKSSGEMUFQOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00036 C11H12O4 4.72 COC1=CC(=CC(=C1O)OC)C=CC=O InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3 CDICDSOGTRCHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0417_00037 C9H8O3 4.41 C1=CC(=CC(=C1)O)C=CC(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) KKSDGJDHHZEWEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00038 C7H6O5 2.04 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0417_00039 C15H14O6 3.11 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0417_00040 C14H14O3 5.15 C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 HITJFUSPLYBJPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0417_00041 C9H8O2 4.52 C1=CC(=CC=C1C=CC=O)O InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H CJXMVKYNVIGQBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0417_00042 C9H10O3 3.18 C1=CC(=C(C=C1C=CCO)O)O InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2 ZCKDCRKBURQZPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamyl alcohols (CHEMONTID:0002754) NA (NA) NA (NA) NA (NA) +0417_00043 C21H22O11 4.08 C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2 XGEYXJDOVMEJNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00044 C21H20O11 4.47 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 UHNXUSWGOJMEFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00045 C11H12N2O2 2.8 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0417_00046 C21H21O11 2.85 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 RKWHWFONKJEUEF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00047 C15H16O9 2.87 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0417_00048 C9H6O4 2.87 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0417_00049 C27H30O16 3.08 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2 ZLPSOQFIIQIIAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00050 C28H32O17 3.23 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 VKVBSQRURLRCHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00051 C21H20O9 3.27 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2 HKEAFJYKMMKDOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid C-glycosides (CHEMONTID:0002896) NA (NA) NA (NA) +0417_00052 C27H30O15 3.3 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2 FIAAVMJLAGNUKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00053 C17H24O10 3.42 COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3 IBFYXTRXDNAPMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0417_00054 C45H38O18 3.46 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2 MOJZMWJRUKIQGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0417_00055 C26H28O14 3.55 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00056 C34H46O18 3.61 COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3 FFDULTAFAQRACT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan glycosides (CHEMONTID:0001511) NA (NA) NA (NA) NA (NA) +0417_00057 C27H30O15 3.67 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 JYXSWDCPHRTYGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00058 C26H28O16 3.7 C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 YNMFDPCLPIMRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00059 C21H20O11 3.7 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2 PLAPMLGJVGLZOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00060 C20H22O8 4.04 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2 HSTZMXCBWJGKHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0417_00061 C21H22O11 4.08 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2 RAFHNDRXYHOLSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00062 C21H22O9 4.09 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2 DEMKZLAVQYISIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00063 C27H30O15 4.1 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-10(28)7-14(16)40-24(25)11-4-2-3-5-12(11)29/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 BJJCTXDEJUWVIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00064 C21H20O10 4.2 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00065 C23H22O13 4.23 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00066 C10H10O4 4.23 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00067 C22H23O12 4.38 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1 CCQDWIRWKWIUKK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00068 C21H20O10 4.45 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00069 C23H28N2O6 4.48 CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27) TTZWEOINXHJHCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0417_00070 C25H24O12 4.61 C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35) YDDUMTOHNYZQPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0417_00071 C21H20O13 4.65 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2 SJRXVLUZMMDCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-8-O-glycosides (CHEMONTID:0003540) +0417_00072 C21H24O10 4.73 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2 IOUVKUPGCMBWBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00073 C17H14N2 4.92 CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 CTSPAMFJBXKSOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0417_00074 C45H73NO15 4.96 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ZGVSETXHNHBTRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0417_00075 C20H24O6 4.96 COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3 MHXCIKYXNYCMHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Furanoid lignans (CHEMONTID:0003686) Tetrahydrofuran lignans (CHEMONTID:0001604) 7,9'-epoxylignans (CHEMONTID:0003422) NA (NA) +0417_00076 C45H73NO14 5.01 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 TYNQWWGVEGFKRU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0417_00077 C22H22O9 5.03 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3 MGJLSBDCWOSMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0417_00078 C28H32O14 5.2 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3 YFVGIJBUXMQFOF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00079 C21H20O10 5.27 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3 HQNOUCSPWAGQND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00080 C28H32O14 5.27 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3 MLWDGPFGTFOLRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00081 C15H12O5 5.96 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0417_00082 C15H10O6 6.02 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00083 C16H14O6 6.17 COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 AIONOLUJZLIMTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0417_00084 C15H10O4 7.38 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H LCAWNFIFMLXZPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0417_00085 C16H12O6 7.55 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 SQFSKOYWJBQGKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00086 C16H12O5 7.61 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 WUADCCWRTIWANL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0417_00087 C6H11NOS2 3.7 CS(=O)CCCCN=C=S InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 SUVMJBTUFCVSAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0417_00088 C21H20O13 3.64 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2 FOHXFLPXBUAOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00089 C21H19O12 4.03 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1 OVSQVDMCBVZWGM-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00090 C23H22O13 4.45 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) diff --git a/processed_data/0417/0417_rtdata_isomeric_success.tsv b/processed_data/0417/0417_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..bf536a8db --- /dev/null +++ b/processed_data/0417/0417_rtdata_isomeric_success.tsv @@ -0,0 +1,91 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0417_00001 C13H14N2O3 4.53 CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18) FBDCJLXTUCMFLF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0417_00002 C30H48O4 9.75 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34) MDZKJHQSJHYOHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0417_00003 C22H23O11 3.2 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1 ZZWPMFROUHHAKY-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00004 C28H32O15 4.41 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3 GZSOSUNBTXMUFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00005 C15H12O4 6.43 C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H DXDRHHKMWQZJHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxychalcones (CHEMONTID:0003472) NA (NA) +0417_00006 C9H11NO2 2.32 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0417_00007 C9H8O4 3.44 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00008 C9H8O3 4.01 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00009 C42H62O17 6.34 CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55) WBQVRPYEEYUEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00010 C48H78O18 7.12 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60) PTDAHAWQAGSZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00011 C48H78O19 6.95 CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) WFRQIKSNAYYUJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Triterpene glycosides (CHEMONTID:0001580) Triterpene saponins (CHEMONTID:0002358) +0417_00012 C15H10O4 5.16 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0417_00013 C21H20O12 4.48 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2 OIUBYZLTFSLSBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00014 C15H10O7 5.37 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00015 C16H12O7 6.14 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00016 C16H12O4 6.67 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0417_00017 C26H28O14 3.4 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00018 C21H20O11 3.59 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 ODBRNZZJSYPIDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0417_00019 C21H20O10 3.95 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 MYXNWGACZJSMBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) NA (NA) +0417_00020 C15H10O5 5.89 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0417_00021 C9H6O4 3.64 C1=CC(=C(C2=C1C=CC(=O)O2)O)O InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H ATEFPOUAMCWAQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7,8-dihydroxycoumarins (CHEMONTID:0002644) NA (NA) +0417_00022 C10H8O4 4.23 COC1=C(C=C2C(=C1)C=CC(=O)O2)O InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 7-hydroxycoumarins (CHEMONTID:0002909) NA (NA) +0417_00023 C23H24O13 4.33 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3 JMFWYRWPJVEZPV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00024 C27H30O17 3.51 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2 RPVIQWDFJPYNJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00025 C15H12O6 5.34 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 SBHXYTNGIZCORC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0417_00026 C16H14O5 7.42 COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 DJOJDHGQRNZXQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0417_00027 C27H30O15 3.53 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 HGUVPEBGCAVWID-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00028 C21H20O11 4.07 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2 VUGRLRAUZWGZJP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00029 C27H30O14 3.95 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3 PUPKKEQDLNREIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00030 C27H30O16 3.79 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2 LKZDFKLGDGSGEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00031 C27H30O15 4.15 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O InChI=1S/C27H30O15/c1-9-17(32)20(35)21(36)26(38-9)41-24-18(33)15(8-28)40-27(22(24)37)42-25-19(34)16-13(31)6-12(30)7-14(16)39-23(25)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,24,26-33,35-37H,8H2,1H3 YFPYXTNSQOUHPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00032 C27H30O16 3.86 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00033 C28H32O16 4.2 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 UIDGLYUNOUKLBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00034 C21H22O11 3.48 C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2 DGGOLFCPSUVVHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00035 C21H22O10 4.52 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2 DLIKSSGEMUFQOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00036 C11H12O4 4.72 COC1=CC(=CC(=C1O)OC)C=CC=O InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3 CDICDSOGTRCHMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0417_00037 C9H8O3 4.41 C1=CC(=CC(=C1)O)C=CC(=O)O InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12) KKSDGJDHHZEWEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00038 C7H6O5 2.04 C1=C(C=C(C(=C1O)O)O)C(=O)O InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) LNTHITQWFMADLM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Gallic acid and derivatives (CHEMONTID:0001251) +0417_00039 C15H14O6 3.11 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0417_00040 C14H14O3 5.15 C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 HITJFUSPLYBJPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0417_00041 C9H8O2 4.52 C1=CC(=CC=C1C=CC=O)O InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H CJXMVKYNVIGQBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamaldehydes (CHEMONTID:0000029) NA (NA) NA (NA) NA (NA) +0417_00042 C9H10O3 3.18 C1=CC(=C(C=C1C=CCO)O)O InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2 ZCKDCRKBURQZPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamyl alcohols (CHEMONTID:0002754) NA (NA) NA (NA) NA (NA) +0417_00043 C21H22O11 4.08 C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2 XGEYXJDOVMEJNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00044 C21H20O11 4.47 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2 UHNXUSWGOJMEFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00045 C11H12N2O2 2.8 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0417_00046 C21H21O11 2.85 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1 RKWHWFONKJEUEF-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00047 C15H16O9 2.87 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0417_00048 C9H6O4 2.87 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0417_00049 C27H30O16 3.08 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2 ZLPSOQFIIQIIAX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00050 C28H32O17 3.23 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3 VKVBSQRURLRCHO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00051 C21H20O9 3.27 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2 HKEAFJYKMMKDOR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid C-glycosides (CHEMONTID:0002896) NA (NA) NA (NA) +0417_00052 C27H30O15 3.3 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2 FIAAVMJLAGNUKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00053 C17H24O10 3.42 COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3 IBFYXTRXDNAPMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Iridoid O-glycosides (CHEMONTID:0004081) NA (NA) +0417_00054 C45H38O18 3.46 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2 MOJZMWJRUKIQGL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Biflavonoids and polyflavonoids (CHEMONTID:0001586) NA (NA) NA (NA) +0417_00055 C26H28O14 3.55 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2 TUIJPUWSXVFWSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00056 C34H46O18 3.61 COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3 FFDULTAFAQRACT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Lignan glycosides (CHEMONTID:0001511) NA (NA) NA (NA) NA (NA) +0417_00057 C27H30O15 3.67 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 JYXSWDCPHRTYGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00058 C26H28O16 3.7 C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 YNMFDPCLPIMRFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00059 C21H20O11 3.7 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2 PLAPMLGJVGLZOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid C-glycosides (CHEMONTID:0001737) Flavonoid 8-C-glycosides (CHEMONTID:0003535) +0417_00060 C20H22O8 4.04 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2 HSTZMXCBWJGKHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) Stilbene glycosides (CHEMONTID:0000142) NA (NA) NA (NA) +0417_00061 C21H22O11 4.08 C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2 RAFHNDRXYHOLSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00062 C21H22O9 4.09 C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2 DEMKZLAVQYISIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00063 C27H30O15 4.1 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-10(28)7-14(16)40-24(25)11-4-2-3-5-12(11)29/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3 BJJCTXDEJUWVIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00064 C21H20O10 4.2 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00065 C23H22O13 4.23 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00066 C10H10O4 4.23 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0417_00067 C22H23O12 4.38 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1 CCQDWIRWKWIUKK-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Anthocyanins (CHEMONTID:0001361) +0417_00068 C21H20O10 4.45 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2 KMOUJOKENFFTPU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00069 C23H28N2O6 4.48 CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27) TTZWEOINXHJHCY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0417_00070 C25H24O12 4.61 C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35) YDDUMTOHNYZQPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0417_00071 C21H20O13 4.65 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2 SJRXVLUZMMDCNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-8-O-glycosides (CHEMONTID:0003540) +0417_00072 C21H24O10 4.73 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2 IOUVKUPGCMBWBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) NA (NA) +0417_00073 C17H14N2 4.92 CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 CTSPAMFJBXKSOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0417_00074 C45H73NO15 4.96 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3 ZGVSETXHNHBTRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0417_00075 C20H24O6 4.96 COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3 MHXCIKYXNYCMHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lignans, neolignans and related compounds (CHEMONTID:0001392) Furanoid lignans (CHEMONTID:0003686) Tetrahydrofuran lignans (CHEMONTID:0001604) 7,9'-epoxylignans (CHEMONTID:0003422) NA (NA) +0417_00076 C45H73NO14 5.01 CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 TYNQWWGVEGFKRU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroidal saponins (CHEMONTID:0002364) NA (NA) +0417_00077 C22H22O9 5.03 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3 MGJLSBDCWOSMHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflavonoid O-glycosides (CHEMONTID:0000507) NA (NA) NA (NA) +0417_00078 C28H32O14 5.2 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3 YFVGIJBUXMQFOF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00079 C21H20O10 5.27 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3 HQNOUCSPWAGQND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00080 C28H32O14 5.27 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3 MLWDGPFGTFOLRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0417_00081 C15H12O5 5.96 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0417_00082 C15H10O6 6.02 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00083 C16H14O6 6.17 COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 AIONOLUJZLIMTK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) +0417_00084 C15H10O4 7.38 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H LCAWNFIFMLXZPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0417_00085 C16H12O6 7.55 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 SQFSKOYWJBQGKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0417_00086 C16H12O5 7.61 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 WUADCCWRTIWANL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) O-methylated isoflavonoids (CHEMONTID:0002586) 4'-O-methylated isoflavonoids (CHEMONTID:0002606) 4'-O-methylisoflavones (CHEMONTID:0002687) +0417_00087 C6H11NOS2 3.7 CS(=O)CCCCN=C=S InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 SUVMJBTUFCVSAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfoxides (CHEMONTID:0000491) NA (NA) NA (NA) NA (NA) +0417_00088 C21H20O13 3.64 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2 FOHXFLPXBUAOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00089 C21H19O12 4.03 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-] InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1/t13-,15+,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-DTGCRPNFSA-M Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0417_00090 C23H22O13 4.45 CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3 IGLUNMMNDNWZOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) diff --git a/processed_data/0417/0417_validation_qspr_outliers.tsv b/processed_data/0417/0417_validation_qspr_outliers.tsv new file mode 100644 index 000000000..47d24a449 --- /dev/null +++ b/processed_data/0417/0417_validation_qspr_outliers.tsv @@ -0,0 +1,5 @@ +id error +0417_00002 3.565696339514248 +0417_00054 1.6511639240846447 +0417_00069 1.6809526977318416 +0417_00084 2.1742020767402996 diff --git a/processed_data/0418/0418_descriptors_canonical_success.tsv b/processed_data/0418/0418_descriptors_canonical_success.tsv new file mode 100644 index 000000000..ca051ea9f --- /dev/null +++ b/processed_data/0418/0418_descriptors_canonical_success.tsv @@ -0,0 +1,79 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0418_00001 11.99355065900649 15.995920707076516 -0.34645149474157655 0.2762629908467258 4.032978339397261 8.152962177815553 0.3333333333333333 -3.429 155.15480164140692 0 3 1.57 5 7 11 1 20 0 0 -2.1268 4.523278239999999 39.44370000000001 1 1 1 1 1 0 0 1 0 0 0 0 0.5656174375712054 50 165 10 21.251298226924085 1.931936202447644 13.173411477484715 4.747983752066325 8.425427725418391 4.459431618637298 87.71 1 0.5 0 0 0 0 1.3103706971044482 4.196420878394961 0 1.6509636244473134 0 0 0.4999999999999999 0 0 0 0.447213595499958 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 1 0 0 2 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.090909090909092 4.13265306122449 2.8444444444444446 0.3333333333333333 290.05 0.45454545454545453 106 8.267584713501616 5.198377302757664 4.607485534605133 3.317934416066091 2.044014181516478 1.127476015241819 0.6529083687052708 0.3783426016716104 5.819183339408831 3.1552891406511416 2.2257009488854402 1.3118769551126717 0.7205511263967198 0.3238144723190786 0.139350115703604 0.0570698628675965 1.583049142800406 1.2594437766500373 1.4343827831268277 0.3909342224548483 0.33543936791725987 0.25505261368128956 0.7731597389607807 0 0.23570226039551587 0 0.2726178304831967 0 0.02151657414559676 0 0 0 0.14433756729740646 0.10206207261596577 0.05892556509887897 0 0 0.037267799624996496 0.026352313834736494 0.015214515486254614 0 0 2 1 0 0 2 0 0 464.44603369628913 504.07970599243174 614.1250883078613 417.17416613769535 325.2378548125001 13.628878974911334 12.495093620167353 16.629542956984782 12.269652947939697 9.522710055082944 0.36327053022671807 -0.16655927389278008 -0.022189003166566575 0.019872983635527565 -0.04246091124967282 3 5 12.116863000000002 21.465137 +0418_00002 11.993550543254878 15.995921716782908 -0.3305774734189658 0.27555660238079915 3.982289946214837 7.822953475370439 0.6666666666666666 -3.585 174.20120861757187 0 5 1.46 4 9 11 4 26 0 0 -1.2699999999999994 1.6128999999999984 43.46040000000001 1 0 0 0 0 0 0 0 0 0 0 0 0.7335521837530897 48 247 11 22.320910973586322 1.8600759144655268 14.832549459314112 4.74039544522029 10.092154014093824 4.459431618637298 127.71999999999998 1 0.5 0 0 0 0 2.381101577952299 3.639717276513833 0 0.9654893846056297 0 0 0.4999999999999999 0 0 0.6506976368304991 1.1052094495921163 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 2 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 6.508875739644971 7.43801652892562 0.6666666666666666 493.06 0 139 9.560477932315068 5.536581260209189 4.89960472054253 2.829011548372667 1.3522320338216987 0.8353816289544019 0.46477918909913546 0.3591167563965419 6.7333969017819255 3.5751725343303633 2.3935455026432924 1.2848172541592997 0.6428319696447106 0.32258902662995886 0.1409250290692828 0.07630450197509143 1.4957819157813605 0.8219752754296894 0.7478909578906803 0.30455194170225386 0.19383416905559703 0.13696161801919673 0.9772838841927123 0 0.23570226039551587 0 0.2450913571172239 0 0.02151657414559676 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 0 0 479.19254221932994 480.94706176678477 519.0703371823885 433.3048358161622 330.8373894272462 14.988859276187817 12.495093620167362 16.01713969317685 13.435834881120147 9.328911686986912 0.37325465867780894 -0.1975824641581234 -0.0017439603864886984 0.047543582232394896 -0.027739471827829165 4 6 15.602898 25.899102000000006 +0418_00003 11.993656564670783 15.996920727206977 -0.3305459761978014 0.27606498629883147 3.925299613152932 7.595005751201229 0.5 -4.4350000000000005 132.11809081453853 0 3 1.3499999999999999 2 6 8 1 17 0 0 -1.8472999999999997 3.412517289999999 28.429999999999996 1 0 0 0 0 0 0 0 0 0 0 0 0.8058098142149411 36 96 8 16.327527405048016 1.814169711672002 11.893466579150857 7.091127066306587 4.802339512844274 4 106.40999999999998 0.6666666666666666 0.4 0 0 0 0 0 2.381101577952299 0 1.6509636244473134 0 0 0.814325284978472 0 0 0.25 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 3.92 4.5 0.5 184.05 0 63 7.439157588755425 4.036581260209188 3.8508499305618726 1.9812607321322 1.0157355747428491 0.5443310539518174 0 0 4.702867765183109 2.304340371793938 1.6151677282420078 0.7382950735896461 0.3040563490674221 0.08605282029946343 0 0 1.412225138403351 1.052198841323242 1.3608276348795432 0.2755520682307953 0.17895346594570433 0.1132745543313129 0.9772838841927123 0 0.23570226039551587 0 0.25388909120056424 0 0.02151657414559676 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 290.32332040429696 293.5141304023438 328.07747316113296 245.10001513281256 155.30310193750003 12.043367709175799 9.328639797758585 12.822752363546593 10.43556299189182 8.075899762921237 0.39640945731351734 -0.12564997137268563 -0.030795795449179618 -0.01331208640548797 -0.16673909469997866 3 5 9.341656 16.980344 +0418_00004 11.99359794526318 15.996921480842328 -0.34701475612811333 0.27556733537806954 3.959763845680323 7.73834811175556 0.6 -4.077 146.1447082189781 0 4 1.4599999999999997 2 7 9 1 20 0 0 -1.5260999999999996 2.3289812099999985 33.184599999999996 1 0 0 0 0 0 0 0 0 0 0 0 0.7284906199462199 40 136 9 18.3237465870699 1.8323746587069898 11.931914607483417 7.107987238437911 4.82392736904551 4.169925001442312 106.41 1 0.5 0 0 0 0 1 3.5327755290014426 0 1.3103706971044482 0 0 0.7211247851537042 0 0 0.19999999999999996 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 4.760330578512397 5.530864197530864 0.6 271.05 0 85 8.146264369941973 4.536581260209188 4.192497939355983 2.3374299245754706 0.9295583781982709 0.7182335127930839 0.3849001794597505 0 5.409974546369657 2.8043403717939386 1.9497187176048891 1.0189388484196829 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WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX 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a/processed_data/0418/0418_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0418/0418_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..414f26203 --- /dev/null +++ b/processed_data/0418/0418_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,79 @@ +id bits.on +0418_00001 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0418_00002 20,93,94,107,141,153,202,207,217,231,259,261,341,463,481,508,545,626,642,659,698,704,727,756,771,776,778,789,833,915 +0418_00003 20,94,107,116,141,153,207,340,341,353,440,481,508,511,626,727,776,779,789 +0418_00004 20,94,105,107,113,141,153,207,210,217,231,246,341,440,481,508,530,583,626,727,776,789,940 +0418_00005 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 +0418_00006 20,77,88,94,153,480,481,508,626,649,727 +0418_00007 77,126,153,326,481,626,666,913 +0418_00008 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 +0418_00009 20,94,107,141,153,186,207,387,481,508,533,626,727,776,789,1000,1006 +0418_00010 21,22,77,153,346,360,361,436,477,480,481,516,527,700,778,800,869,913 +0418_00011 20,94,107,141,207,481,508,551,626,727,802,948,964 +0418_00012 20,94,153,348,353,392,480,508,513,530,551,591,626,719,727,752,778,863,895,976,1005 +0418_00013 20,66,94,508,626,727,762,948 +0418_00014 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 +0418_00015 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0418_00016 20,94,107,141,153,188,206,207,217,231,310,363,423,481,508,581,626,727,776,789,881,915,948,992,1015 +0418_00017 20,31,62,68,94,96,102,107,116,134,141,153,169,207,211,228,265,315,347,387,442,481,487,508,511,550,563,587,626,699,727,776,789,859,887,968,1001 +0418_00018 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 +0418_00019 20,94,153,294,480,505,508,626,727,948,994 +0418_00020 21,22,77,118,153,346,360,361,424,436,480,481,516,527,700,778,800,869,880,913 +0418_00021 15,20,36,48,94,134,170,225,245,272,283,317,353,387,420,442,456,484,487,506,508,513,550,591,626,634,640,654,662,672,727,731,781,806,828,866,893,899,901,968,972 +0418_00022 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0418_00023 20,94,107,207,297,508,607,626,727,802,948 +0418_00024 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0418_00025 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0418_00026 20,62,94,153,255,480,508,530,626,727,752,915,948,994 +0418_00027 20,52,62,72,94,96,107,118,134,141,145,153,182,207,230,270,421,424,481,487,508,550,558,588,626,635,727,864,968,989 +0418_00028 4,20,104,134,153,155,201,257,270,272,278,303,316,347,353,360,372,402,425,479,508,515,516,549,595,615,626,633,640,654,656,662,665,705,727,762,771,778,786,797,812,813,833,843,885,896,898,940,948,960,968 +0418_00029 20,29,50,94,134,153,248,334,354,372,383,479,480,508,515,522,541,550,621,626,640,654,662,676,684,692,727,762,778,797,812,833,849,887,893,896,947,953,968,974 +0418_00030 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0418_00031 20,94,107,134,153,199,248,260,330,333,334,347,372,383,421,479,480,505,508,515,522,541,549,550,591,626,654,662,684,692,694,727,762,778,797,812,833,887,896,948,953,968 +0418_00032 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0418_00033 12,20,94,96,134,153,248,272,334,372,383,389,479,480,487,503,508,516,522,550,603,626,654,662,684,692,714,727,762,778,786,797,812,893,896,953,968 +0418_00034 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0418_00035 6,20,94,107,153,207,254,299,508,541,626,677,727,802,948,994 +0418_00036 20,49,94,134,153,207,480,508,511,612,626,727,802,885,948 +0418_00037 20,62,94,153,434,480,508,530,626,727,752,778,826,948,968,976,994 +0418_00038 20,94,96,134,153,248,272,353,372,383,389,479,487,492,503,508,516,517,522,550,591,603,626,632,654,662,684,714,719,727,762,778,780,786,797,812,893,896,968 +0418_00039 20,68,94,114,134,211,240,283,304,353,425,456,481,487,508,510,534,545,550,626,640,726,727,781,887,928,937,968 +0418_00040 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0418_00041 20,94,134,153,207,226,254,339,480,508,511,541,626,727,773,802,948,994,1004 +0418_00042 20,49,94,153,207,231,261,480,508,530,626,727,752,802,803,813,948,992 +0418_00043 15,20,94,96,134,144,225,245,272,371,420,456,487,503,506,508,513,533,542,550,553,591,626,654,662,672,714,727,731,741,786,797,803,866,899,968,983 +0418_00044 20,62,94,153,283,332,480,497,508,530,626,727,752,778,803,826,948,968,976,994 +0418_00045 77,153,424,436,481,646,778,913 +0418_00046 20,61,62,94,107,153,207,231,508,541,626,677,727,755,778,795,802,826,878,920,948,994,1017 +0418_00047 20,62,94,153,283,391,469,480,497,508,530,556,626,727,752,755,778,803,826,948,976,994 +0418_00048 20,62,94,107,153,207,231,254,304,445,506,508,626,727,744,778,826,832,929,948,994,1013,1017,1022 +0418_00049 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0418_00050 20,62,94,101,107,153,207,225,231,283,306,362,508,541,626,677,727,755,778,802,826,878,920,948,994 +0418_00051 20,68,83,94,107,109,114,118,132,134,141,153,207,211,231,240,279,283,304,353,481,487,508,511,534,545,550,563,587,626,635,640,726,727,781,825,859,887,898,968,1022 +0418_00052 20,62,94,153,283,391,480,497,508,530,556,626,727,752,755,778,781,803,826,918,948,976,994 +0418_00053 20,30,62,94,136,153,183,202,207,231,242,261,480,508,530,582,584,626,680,727,752,773,778,802,826,948,994,1017 +0418_00054 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00055 5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,152,153,163,170,180,182,207,222,228,231,252,261,281,285,290,316,326,351,368,370,391,401,408,420,424,437,480,499,508,530,552,594,602,609,626,664,690,710,726,727,752,753,758,759,772,802,818,860,936,948,949,964,976,999,1009 +0418_00056 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00057 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 +0418_00058 5,15,20,26,49,60,76,85,87,89,94,108,118,153,163,182,207,222,228,231,252,261,281,285,290,316,326,340,351,352,401,402,408,424,437,480,482,499,508,530,566,609,626,657,690,710,713,727,752,753,759,772,777,802,818,851,860,879,936,948,964,969,976,987,999,1003,1009,1015,1022 +0418_00059 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00060 15,20,26,49,60,72,76,85,87,89,94,108,153,163,182,205,207,215,222,223,231,252,261,285,290,316,340,401,424,437,480,499,503,508,530,566,594,609,613,626,632,690,697,705,710,727,752,759,772,801,802,818,851,852,860,879,887,909,936,948,964,969,976,987,1015,1022 +0418_00061 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00062 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00063 20,50,51,64,94,153,172,186,295,312,321,391,396,441,480,481,508,522,530,586,588,611,626,715,727,741,752,778,804,850,897,948,976,994 +0418_00064 20,50,64,94,153,154,186,295,312,321,361,391,396,480,481,497,508,522,530,556,586,588,599,611,626,662,715,727,741,752,778,803,804,850,864,897,918,948,976,994 +0418_00065 20,50,62,64,94,153,154,163,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,803,826,850,864,918,948,976,994 +0418_00066 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00067 20,50,64,94,153,186,312,321,332,382,396,480,508,522,530,586,588,611,626,641,715,723,727,741,752,804,850,897,948,994 +0418_00068 20,50,51,62,64,94,101,137,153,154,172,186,283,295,312,321,391,396,441,480,481,508,530,588,626,727,741,752,778,826,850,864,897,948,976,994 +0418_00069 20,50,62,64,94,101,137,153,154,186,283,295,312,361,391,396,480,481,497,508,530,556,588,599,626,662,727,741,752,778,803,826,850,864,897,918,948,976,994 +0418_00070 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00071 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 +0418_00072 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00073 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 +0418_00074 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00075 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 +0418_00076 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00077 20,62,94,153,283,391,480,497,508,530,556,626,662,727,752,755,778,781,803,826,918,948,976,994 +0418_00078 20,50,62,64,94,153,154,283,312,361,391,480,481,497,508,530,556,558,599,626,662,727,752,755,778,781,803,826,850,864,918,948,976,994 diff --git a/processed_data/0418/0418_fingerprints_maccs_canonical_success.tsv b/processed_data/0418/0418_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..c2cfe2ea0 --- /dev/null +++ b/processed_data/0418/0418_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,79 @@ +id bits.on +0418_00001 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0418_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0418_00003 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0418_00004 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0418_00005 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0418_00006 54,82,84,95,100,104,123,131,132,139,151,153,154,155,157,158,159,161,164 +0418_00007 54,82,84,95,100,104,109,111,131,132,138,139,147,151,153,155,157,158,161,164 +0418_00008 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0418_00009 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0418_00010 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0418_00011 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0418_00012 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0418_00013 123,139,154,157,159,160,164 +0418_00014 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0418_00015 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0418_00016 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0418_00017 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00018 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0418_00019 104,114,123,132,139,154,155,157,159,160,164 +0418_00020 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0418_00021 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0418_00022 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0418_00023 74,123,139,149,154,157,159,160,164 +0418_00024 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0418_00025 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0418_00026 90,104,114,115,123,132,139,147,154,155,157,159,160,164 +0418_00027 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0418_00028 53,65,72,82,83,90,91,92,93,96,97,100,104,105,108,110,111,113,116,117,121,126,127,131,137,139,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0418_00029 65,83,90,91,96,104,105,113,121,123,127,131,132,137,139,143,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00030 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00031 65,83,90,91,93,96,104,105,113,121,123,126,127,131,132,137,139,143,146,151,152,154,155,156,157,159,160,161,162,163,164,165 +0418_00032 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0418_00033 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0418_00034 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0418_00035 90,114,115,123,139,149,154,155,157,159,160,164 +0418_00036 74,104,115,123,132,139,149,154,155,157,159,160,164 +0418_00037 90,91,104,114,115,116,118,123,132,139,147,154,155,157,159,160,164 +0418_00038 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00039 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0418_00040 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0418_00041 91,104,114,115,116,123,132,139,149,154,155,157,159,160,164 +0418_00042 74,90,104,115,116,123,132,139,147,149,154,155,157,159,160,164 +0418_00043 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0418_00044 90,91,104,108,114,115,116,118,123,129,132,139,147,154,155,157,159,160,164 +0418_00045 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0418_00046 90,91,108,114,115,116,118,123,139,147,149,154,155,157,159,160,164 +0418_00047 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00048 90,91,108,114,115,116,118,123,128,129,139,147,149,154,155,157,159,160,164 +0418_00049 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00050 90,91,108,114,115,116,118,123,129,139,147,149,154,155,157,159,160,164 +0418_00051 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00052 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00053 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0418_00054 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00055 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00056 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00057 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00058 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00059 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00060 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00061 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00062 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00063 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00064 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00065 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00066 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00067 90,99,104,108,114,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00068 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00069 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00070 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00071 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00072 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00073 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00074 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00075 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00076 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00077 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00078 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 diff --git a/processed_data/0418/0418_fingerprints_maccs_isomeric_success.tsv b/processed_data/0418/0418_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..c2cfe2ea0 --- /dev/null +++ b/processed_data/0418/0418_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,79 @@ +id bits.on +0418_00001 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0418_00002 25,43,54,77,78,84,90,91,95,100,104,106,111,118,119,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0418_00003 53,54,80,84,90,92,95,97,104,110,111,117,123,131,132,136,139,142,146,151,154,155,156,157,158,159,161,164 +0418_00004 54,84,90,91,92,95,104,110,111,117,123,131,132,136,139,142,146,147,151,154,155,156,157,158,159,161,164 +0418_00005 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0418_00006 54,82,84,95,100,104,123,131,132,139,151,153,154,155,157,158,159,161,164 +0418_00007 54,82,84,95,100,104,109,111,131,132,138,139,147,151,153,155,157,158,161,164 +0418_00008 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0418_00009 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0418_00010 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0418_00011 54,84,95,123,131,139,151,154,156,157,158,159,160,161,164 +0418_00012 72,90,91,104,118,123,131,132,136,139,140,146,147,152,154,155,157,159,164 +0418_00013 123,139,154,157,159,160,164 +0418_00014 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0418_00015 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0418_00016 54,84,86,88,90,91,93,95,104,111,115,116,123,131,139,147,151,153,154,155,156,157,158,159,160,161,164 +0418_00017 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00018 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0418_00019 104,114,123,132,139,154,155,157,159,160,164 +0418_00020 53,80,82,84,86,90,91,100,104,111,118,128,129,131,138,142,147,151,153,155,158,161 +0418_00021 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,140,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0418_00022 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0418_00023 74,123,139,149,154,157,159,160,164 +0418_00024 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0418_00025 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0418_00026 90,104,114,115,123,132,139,147,154,155,157,159,160,164 +0418_00027 54,84,90,95,104,111,123,131,139,151,154,155,156,157,158,159,161,162,163,164,165 +0418_00028 53,65,72,82,83,90,91,92,93,96,97,100,104,105,108,110,111,113,116,117,121,126,127,131,137,139,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0418_00029 65,83,90,91,96,104,105,113,121,123,127,131,132,137,139,143,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00030 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00031 65,83,90,91,93,96,104,105,113,121,123,126,127,131,132,137,139,143,146,151,152,154,155,156,157,159,160,161,162,163,164,165 +0418_00032 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0418_00033 65,83,90,91,96,104,105,121,123,131,132,137,139,151,154,155,156,157,159,161,162,163,164,165 +0418_00034 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0418_00035 90,114,115,123,139,149,154,155,157,159,160,164 +0418_00036 74,104,115,123,132,139,149,154,155,157,159,160,164 +0418_00037 90,91,104,114,115,116,118,123,132,139,147,154,155,157,159,160,164 +0418_00038 65,72,83,90,91,96,105,121,123,131,132,136,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0418_00039 53,54,84,95,97,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0418_00040 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0418_00041 91,104,114,115,116,123,132,139,149,154,155,157,159,160,164 +0418_00042 74,90,104,115,116,123,132,139,147,149,154,155,157,159,160,164 +0418_00043 54,65,95,97,98,105,113,121,123,125,127,131,136,137,139,143,145,146,151,152,154,156,157,159,161,162,163,164,165 +0418_00044 90,91,104,108,114,115,116,118,123,129,132,139,147,154,155,157,159,160,164 +0418_00045 82,84,90,91,100,104,111,118,129,131,138,142,147,151,153,155,158,161 +0418_00046 90,91,108,114,115,116,118,123,139,147,149,154,155,157,159,160,164 +0418_00047 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00048 90,91,108,114,115,116,118,123,128,129,139,147,149,154,155,157,159,160,164 +0418_00049 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00050 90,91,108,114,115,116,118,123,129,139,147,149,154,155,157,159,160,164 +0418_00051 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0418_00052 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00053 90,104,108,114,115,116,118,123,128,129,132,139,147,149,154,155,157,159,160,164 +0418_00054 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00055 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00056 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00057 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00058 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00059 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00060 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0418_00061 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00062 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00063 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00064 90,91,99,104,108,114,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00065 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00066 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00067 90,99,104,108,114,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00068 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00069 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00070 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00071 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00072 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00073 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00074 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00075 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00076 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00077 90,91,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 +0418_00078 90,91,99,104,108,114,115,116,118,123,128,129,132,139,147,154,155,157,159,160,164 diff --git a/processed_data/0418/0418_fingerprints_pubchem_canonical_success.tsv b/processed_data/0418/0418_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..671698d08 --- /dev/null +++ b/processed_data/0418/0418_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,79 @@ +id bits.on +0418_00001 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0418_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0418_00003 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0418_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0418_00005 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0418_00006 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,381,394,407,421,441,444,453,529,537,567 +0418_00007 10,15,19,284,285,286,287,300,309,345,346,347,352,353,366,367,394,407,529,567,572,644 +0418_00008 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0418_00009 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0418_00010 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0418_00011 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0418_00012 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,680,681,685,690,693,694,695,707 +0418_00013 10,19,20,284,285,287,309,345,353,375,381,407,421,441,444,453 +0418_00014 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0418_00015 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0418_00016 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0418_00017 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0418_00018 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0418_00019 10,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,618 +0418_00020 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0418_00021 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00022 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0418_00023 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,618 +0418_00024 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0418_00025 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0418_00026 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,618,638 +0418_00027 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0418_00028 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,521,522,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,639,641,642,644,646,647,652,653,656,657,658,661,663,664,665,666,667,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,715,722,736,743,759,762,778,785,799,806,822,825 +0418_00029 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0418_00030 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0418_00031 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0418_00032 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0418_00033 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0418_00034 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0418_00035 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,709 +0418_00036 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,709 +0418_00037 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685 +0418_00038 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0418_00039 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00040 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0418_00041 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,711 +0418_00042 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0418_00043 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0418_00044 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0418_00045 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0418_00046 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710 +0418_00047 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0418_00048 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,709,710,711 +0418_00049 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0418_00050 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,698,699,705,709,710 +0418_00051 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00052 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00053 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0418_00054 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00055 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00056 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00057 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00058 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00059 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00060 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,840,861 +0418_00061 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00062 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00063 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,681,685 +0418_00064 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00065 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00066 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00067 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,600,618,638,641,661,679 +0418_00068 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685 +0418_00069 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00070 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00071 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00072 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00073 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00074 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00075 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00076 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00077 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00078 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0418/0418_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0418/0418_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..671698d08 --- /dev/null +++ b/processed_data/0418/0418_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,79 @@ +id bits.on +0418_00001 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0418_00002 10,11,15,16,17,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0418_00003 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,581,593,594,618,638,644,683,686,687,688 +0418_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,440,441,444,452,453,529,536,537,567,580,583,593,618,638,644,681,684,685,686,692,694,695,696 +0418_00005 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0418_00006 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,381,394,407,421,441,444,453,529,537,567 +0418_00007 10,15,19,284,285,286,287,300,309,345,346,347,352,353,366,367,394,407,529,567,572,644 +0418_00008 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0418_00009 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0418_00010 10,11,12,15,16,17,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0418_00011 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,618,644 +0418_00012 10,11,19,20,21,284,285,287,309,333,342,345,353,381,407,421,433,441,444,453,463,536,538,580,583,618,638,680,681,685,690,693,694,695,707 +0418_00013 10,19,20,284,285,287,309,345,353,375,381,407,421,441,444,453 +0418_00014 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0418_00015 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0418_00016 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644 +0418_00017 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,529,536,537,546,547,550,553,554,557,565,567,571,579,580,581,583,585,593,596,598,600,601,604,608,609,618,619,624,625,634,635,638,641,644,661,665,666,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0418_00018 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0418_00019 10,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,618 +0418_00020 10,11,15,16,284,285,286,300,333,345,346,352,366,391,393,394,529,541,593,594,614,644,657 +0418_00021 10,11,12,15,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,498,499,503,507,517,521,524,525,528,531,536,537,539,540,542,543,544,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,588,591,593,596,598,600,601,603,604,607,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,652,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00022 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0418_00023 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,618 +0418_00024 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0418_00025 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0418_00026 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,618,638 +0418_00027 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,537,553,557,565,567,571,579,580,583,585,593,596,600,604,608,609,618,619,635,638,641,644,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0418_00028 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,521,522,524,525,528,529,531,539,540,541,542,543,545,546,547,549,550,553,556,557,565,566,568,571,574,575,577,578,579,583,585,586,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,639,641,642,644,646,647,652,653,656,657,658,661,663,664,665,666,667,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,715,722,736,743,759,762,778,785,799,806,822,825 +0418_00029 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,580,583,585,586,591,593,596,598,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0418_00030 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +0418_00031 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,759,785,799,822 +0418_00032 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0418_00033 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0418_00034 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0418_00035 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,709 +0418_00036 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,618,638,709 +0418_00037 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685 +0418_00038 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,686,689,690,692,693,696,697,698,699,700,703,705,708,709,710,711,713,759,822 +0418_00039 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,536,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,639,641,642,652,656,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,689,690,693,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00040 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0418_00041 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,711 +0418_00042 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,681,685,709,710 +0418_00043 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,358,359,371,372,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,528,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,641,642,644,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,759,822 +0418_00044 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693 +0418_00045 10,11,15,16,284,285,286,300,333,345,346,352,366,394,529,593,644 +0418_00046 10,11,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,690,693,709,710 +0418_00047 10,11,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,699,705 +0418_00048 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,709,710,711 +0418_00049 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0418_00050 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,698,699,705,709,710 +0418_00051 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +0418_00052 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00053 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705,709,710,711 +0418_00054 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00055 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00056 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00057 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00058 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0418_00059 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00060 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,840,861 +0418_00061 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00062 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00063 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,681,685 +0418_00064 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00065 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00066 10,11,12,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00067 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,600,618,638,641,661,679 +0418_00068 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685 +0418_00069 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00070 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00071 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00072 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00073 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00074 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00075 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 +0418_00076 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00077 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +0418_00078 10,11,12,13,19,20,284,285,287,309,333,345,353,375,381,407,417,421,435,441,442,444,447,453,491,517,525,536,557,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,699,705 diff --git a/processed_data/0418/0418_gradient.tsv b/processed_data/0418/0418_gradient.tsv new file mode 100644 index 000000000..2753b5172 --- /dev/null +++ b/processed_data/0418/0418_gradient.tsv @@ -0,0 +1,9 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 70 30 +2 0.4 70 30 +5 0.4 48 52 +15 0.4 35 65 +20 0.4 22 78 +22.5 0.4 22 78 +29 0.4 10 90 +38 0.4 0 100 diff --git a/processed_data/0418/0418_info.tsv b/processed_data/0418/0418_info.tsv new file mode 100644 index 000000000..4e0f4e45d --- /dev/null +++ b/processed_data/0418/0418_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0418 10.1016/j.aca.2019.02.001 Submitted by Fangyuan Sun Yezhen Huang, Yu Jiao, Yiqiao Gao, et al ROASMI_41 diff --git a/processed_data/0418/0418_metadata.tsv b/processed_data/0418/0418_metadata.tsv new file mode 100644 index 000000000..5f222927d --- /dev/null +++ b/processed_data/0418/0418_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0418 Agilent ZORBAX Eclipse XDB-C18 L1 100 2.1 1.8 50 0.4 0.55125 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70 30 0 0 0 100 0 0 diff --git a/processed_data/0418/0418_report_canonical.pdf b/processed_data/0418/0418_report_canonical.pdf new file mode 100644 index 000000000..1f3a55025 Binary files /dev/null and b/processed_data/0418/0418_report_canonical.pdf differ diff --git a/processed_data/0418/0418_report_isomeric.pdf b/processed_data/0418/0418_report_isomeric.pdf new file mode 100644 index 000000000..54ef59e59 Binary files /dev/null and b/processed_data/0418/0418_report_isomeric.pdf differ diff --git a/processed_data/0418/0418_rtdata_canonical_success.tsv b/processed_data/0418/0418_rtdata_canonical_success.tsv new file mode 100644 index 000000000..0887104d7 --- /dev/null +++ b/processed_data/0418/0418_rtdata_canonical_success.tsv @@ -0,0 +1,79 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0418_00001 C6H9N3O2 2.35 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00002 C6H14N4O2 3.02 C(CC(C(=O)O)N)CN=C(N)N InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10) ODKSFYDXXFIFQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00003 C4H8N2O3 3.75 C(C(C(=O)O)N)C(=O)N InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00004 C5H10N2O3 4.45 C(CC(=O)N)C(C(=O)O)N InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00005 C3H7NO3 5.14 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00006 C2H5NO2 5.85 C(C(=O)O)N InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DHMQDGOQFOQNFH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00007 C2H7NO 5.87 C(CO)N InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 HZAXFHJVJLSVMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0418_00008 C4H9NO3 6.29 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00009 C3H7NO2S 6.31 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00010 C10H26N4 6.5 C(CCNCCCN)CNCCCN InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 PFNFFQXMRSDOHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0418_00011 C3H7NO2 6.78 CC(C(=O)O)N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00012 C6H8O5 7.25 C(CC(=O)C(=O)O)CC(=O)O InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) FGSBNBBHOZHUBO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0418_00013 C2H4O2 8.11 CC(=O)O InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) QTBSBXVTEAMEQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acids (CHEMONTID:0001205) NA (NA) NA (NA) +0418_00014 C7H5NO4 8.32 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0418_00015 C5H9NO2 8.37 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00016 C5H11NO2S 9.06 CSCCC(C(=O)O)N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00017 C10H12N2O3 9.21 C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) YGPSJZOEDVAXAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0418_00018 C5H11NO2 9.34 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00019 C3H6O2 9.67 CCC(=O)O InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) XBDQKXXYIPTUBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acids (CHEMONTID:0001205) NA (NA) NA (NA) +0418_00020 C7H19N3 9.8 C(CCNCCCN)CN InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 ATHGHQPFGPMSJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Secondary amines (CHEMONTID:0002451) Dialkylamines (CHEMONTID:0002228) +0418_00021 C10H7NO4 9.89 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) FBZONXHGGPHHIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0418_00022 C11H12N2O2 9.89 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0418_00023 C4H8O2 11.37 CC(C)C(=O)O InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) KQNPFQTWMSNSAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Carboxylic acids (CHEMONTID:0001205) NA (NA) NA (NA) +0418_00024 C6H13NO2 11.45 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00025 C6H13NO2 11.69 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00026 C4H8O2 11.76 CCCC(=O)O InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) FERIUCNNQQJTOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0418_00027 C9H11NO2 11.78 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00028 C13H16N2O3 11.91 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) OMYMRCXOJJZYKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0418_00029 C10H9NO3 12.08 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00030 C11H11NO3 12.1 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0418_00031 C11H11NO3 12.1 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00032 C12H14N2O2 12.17 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0418_00033 C10H9NO2 13.37 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00034 C10H12N2 13.44 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0418_00035 C5H10O2 13.64 CCC(C)C(=O)O InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) WLAMNBDJUVNPJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00036 C5H10O2 14 CC(C)CC(=O)O InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) GWYFCOCPABKNJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00037 C5H10O2 14.53 CCCCC(=O)O InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0418_00038 C11H9NO3 15.51 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0418_00039 C7H7NO3 15.68 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0418_00040 C6H14N2O2 16.21 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00041 C6H12O2 16.69 CCC(C)CC(=O)O InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) IGIDLTISMCAULB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00042 C6H12O2 17.11 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00043 C10H7NO3 17.43 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0418_00044 C6H12O2 17.44 CCCCCC(=O)O InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) FUZZWVXGSFPDMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00045 C4H12N2 17.65 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0418_00046 C7H14O2 18.86 CCCCC(C)C(=O)O InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) CVKMFSAVYPAZTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00047 C7H14O2 19.66 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00048 C8H16O2 20.17 CCCCC(CC)C(=O)O InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) OBETXYAYXDNJHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00049 C9H11NO3 20.46 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00050 C8H16O2 20.65 CCCCCC(C)C(=O)O InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NKBWMBRPILTCRD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00051 C10H12N2O4 20.97 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0418_00052 C8H16O2 21.35 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00053 C9H18O2 22.53 CCCCC(C)CCC(=O)O InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) LEGGANXCVQPIAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00054 C9H18O2 23.01 CCCCCCCCC(=O)O InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) FBUKVWPVBMHYJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00055 C24H40O5 24.18 CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) BHQCQFFYRZLCQQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0418_00056 C10H20O2 24.34 CCCCCCCCCC(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) GHVNFZFCNZKVNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00057 C24H40O4 24.95 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) RUDATBOHQWOJDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0418_00058 C24H40O4 25.2 CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28) KXGVEGMKQFWNSR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0418_00059 C12H24O2 25.64 CCCCCCCCCCCC(=O)O InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) POULHZVOKOAJMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00060 C24H40O3 26.19 CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27) SMEROWZSTRWXGI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +0418_00061 C13H26O2 26.42 CCCCCCCCCCCCC(=O)O InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15) SZHOJFHSIKHZHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00062 C14H28O2 27.31 CCCCCCCCCCCCCC(=O)O InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) TUNFSRHWOTWDNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00063 C20H30O2 27.5 CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22) JAZBEHYOTPTENJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00064 C18H30O2 27.51 CCC=CCC=CCC=CCCCCCCCC(=O)O InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20) DTOSIQBPPRVQHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0418_00065 C16H30O2 27.89 CCCCCCC=CCCCCCCCC(=O)O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18) SECPZKHBENQXJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00066 C15H30O2 28.41 CCCCCCCCCCCCCCC(=O)O InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) WQEPLUUGTLDZJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00067 C22H32O2 28.49 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24) MBMBGCFOFBJSGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0418_00068 C20H32O2 28.71 CCCCCC=CCC=CCC=CCC=CCCCC(=O)O InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22) YZXBAPSDXZZRGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00069 C18H32O2 28.76 CCCCCC=CCC=CCCCCCCCC(=O)O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20) OYHQOLUKZRVURQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0418_00070 C16H32O2 29.81 CCCCCCCCCCCCCCCC(=O)O InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) IPCSVZSSVZVIGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00071 C18H34O2 30.51 CCCCCCCCC=CCCCCCCCC(=O)O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20) ZQPPMHVWECSIRJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00072 C18H36O2 31.53 CCCCCCCCCCCCCCCCCC(=O)O InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) QIQXTHQIDYTFRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) 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and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00026 C4H8O2 11.76 CCCC(=O)O InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) FERIUCNNQQJTOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0418_00027 C9H11NO2 11.78 C1=CC=C(C=C1)CC(C(=O)O)N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00028 C13H16N2O3 11.91 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) OMYMRCXOJJZYKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0418_00029 C10H9NO3 12.08 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) DUUGKQCEGZLZNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00030 C11H11NO3 12.1 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0418_00031 C11H11NO3 12.1 COC1=CC2=C(C=C1)NC=C2CC(=O)O InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14) COCNDHOPIHDTHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00032 C12H14N2O2 12.17 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0418_00033 C10H9NO2 13.37 C1=CC=C2C(=C1)C(=CN2)CC(=O)O InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) SEOVTRFCIGRIMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) Indole-3-acetic acid derivatives (CHEMONTID:0001252) NA (NA) +0418_00034 C10H12N2 13.44 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0418_00035 C5H10O2 13.64 CCC(C)C(=O)O InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) WLAMNBDJUVNPJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00036 C5H10O2 14 CC(C)CC(=O)O InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) GWYFCOCPABKNJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00037 C5H10O2 14.53 CCCCC(=O)O InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Straight chain fatty acids (CHEMONTID:0000333) NA (NA) +0418_00038 C11H9NO3 15.51 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) RSTKLPZEZYGQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0418_00039 C7H7NO3 15.68 C1=CC(=C(C(=C1)O)N)C(=O)O InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) WJXSWCUQABXPFS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0418_00040 C6H14N2O2 16.21 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00041 C6H12O2 16.69 CCC(C)CC(=O)O InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) IGIDLTISMCAULB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00042 C6H12O2 17.11 CC(C)CCC(=O)O InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) FGKJLKRYENPLQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0418_00043 C10H7NO3 17.43 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) HCZHHEIFKROPDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0418_00044 C6H12O2 17.44 CCCCCC(=O)O InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) FUZZWVXGSFPDMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00045 C4H12N2 17.65 C(CCN)CN InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 KIDHWZJUCRJVML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0418_00046 C7H14O2 18.86 CCCCC(C)C(=O)O InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) CVKMFSAVYPAZTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00047 C7H14O2 19.66 CCCCCCC(=O)O InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) MNWFXJYAOYHMED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00048 C8H16O2 20.17 CCCCC(CC)C(=O)O InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) OBETXYAYXDNJHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00049 C9H11NO3 20.46 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0418_00050 C8H16O2 20.65 CCCCCC(C)C(=O)O InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NKBWMBRPILTCRD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00051 C10H12N2O4 20.97 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0418_00052 C8H16O2 21.35 CCCCCCCC(=O)O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) WWZKQHOCKIZLMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00053 C9H18O2 22.53 CCCCC(C)CCC(=O)O InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) LEGGANXCVQPIAI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00054 C9H18O2 23.01 CCCCCCCCC(=O)O InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) FBUKVWPVBMHYJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00055 C24H40O5 24.18 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 BHQCQFFYRZLCQQ-OELDTZBJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0418_00056 C10H20O2 24.34 CCCCCCCCCC(=O)O InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) GHVNFZFCNZKVNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00057 C24H40O4 24.95 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0418_00058 C24H40O4 25.2 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 KXGVEGMKQFWNSR-LLQZFEROSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0418_00059 C12H24O2 25.64 CCCCCCCCCCCC(=O)O InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) POULHZVOKOAJMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0418_00060 C24H40O3 26.19 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 SMEROWZSTRWXGI-HVATVPOCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +0418_00061 C13H26O2 26.42 CCCCCCCCCCCCC(=O)O InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15) SZHOJFHSIKHZHA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00062 C14H28O2 27.31 CCCCCCCCCCCCCC(=O)O InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) TUNFSRHWOTWDNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00063 C20H30O2 27.5 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- JAZBEHYOTPTENJ-JLNKQSITSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00064 C18H30O2 27.51 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- DTOSIQBPPRVQHS-PDBXOOCHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0418_00065 C16H30O2 27.89 CCCCCC/C=C\CCCCCCCC(=O)O InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- SECPZKHBENQXJG-FPLPWBNLSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00066 C15H30O2 28.41 CCCCCCCCCCCCCCC(=O)O InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) WQEPLUUGTLDZJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00067 C22H32O2 28.49 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- MBMBGCFOFBJSGT-KUBAVDMBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0418_00068 C20H32O2 28.71 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- YZXBAPSDXZZRGB-DOFZRALJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00069 C18H32O2 28.76 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- OYHQOLUKZRVURQ-HZJYTTRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Lineolic acids and derivatives (CHEMONTID:0000504) NA (NA) NA (NA) +0418_00070 C16H32O2 29.81 CCCCCCCCCCCCCCCC(=O)O InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) IPCSVZSSVZVIGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00071 C18H34O2 30.51 CCCCCCCC/C=C\CCCCCCCC(=O)O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- ZQPPMHVWECSIRJ-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00072 C18H36O2 31.53 CCCCCCCCCCCCCCCCCC(=O)O InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) QIQXTHQIDYTFRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00073 C20H38O2 31.76 CCCCCCCC/C=C\CCCCCCCCCC(=O)O InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9- BITHHVVYSMSWAG-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00074 C19H38O2 32.11 CCCCCCCCCCCCCCCCCCC(=O)O InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21) ISYWECDDZWTKFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00075 C22H42O2 32.93 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- DPUOLQHDNGRHBS-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0418_00076 C21H42O2 33.36 CCCCCCCCCCCCCCCCCCCCC(=O)O InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) CKDDRHZIAZRDBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0418_00077 C22H44O2 34.03 CCCCCCCCCCCCCCCCCCCCCC(=O)O InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) UKMSUNONTOPOIO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) +0418_00078 C24H46O2 34.22 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9- GWHCXVQVJPWHRF-KTKRTIGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Very long-chain fatty acids (CHEMONTID:0002950) NA (NA) diff --git a/processed_data/0418/0418_validation_qspr_outliers.tsv b/processed_data/0418/0418_validation_qspr_outliers.tsv new file mode 100644 index 000000000..61d777017 --- /dev/null +++ b/processed_data/0418/0418_validation_qspr_outliers.tsv @@ -0,0 +1,11 @@ +id error +0418_00010 4.770313536392441 +0418_00014 4.469921592072231 +0418_00017 5.772944849177966 +0418_00021 5.3689822388224435 +0418_00039 4.432694320439646 +0418_00040 6.107332481184306 +0418_00043 4.9982627431802396 +0418_00045 6.006227823524695 +0418_00049 8.282889055011491 +0418_00051 11.586563420479248 diff --git a/processed_data/0419/0419_descriptors_canonical_success.tsv b/processed_data/0419/0419_descriptors_canonical_success.tsv new file mode 100644 index 000000000..b5ec082f5 --- /dev/null +++ b/processed_data/0419/0419_descriptors_canonical_success.tsv @@ -0,0 +1,162 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0419_00001 11.99635512438727 16.000783453629296 -0.4177809290439248 0.11312997038480278 4.13488893618644 7.934950573479657 1 -3.8960000000000004 182.17201549970545 1 5 1.46 0 8 11 0 26 0 0 -2.9402 8.64477604 38.4036 0 0 0 0 0 0 0 0 0 0 0 0 0.6666335737853722 50 206 16 22.13184582684612 1.84432048557051 14.573455830409978 14.573455830409978 0 4.459431618637298 121.38000000000001 0.75 0.42857142857142855 0 0 0 0 0.19999999999999996 3.6144080144393795 0 3.965406456500188 0 0 3.6025841963386 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 5.612244897959184 3.515625 1 493.06 0 114 9.723614639131597 5.540111220059325 4.489297862106234 3.91238261951631 1.7799928166884995 0.7531018741699298 0.26824595137478835 0.05555555555555555 6.406896212131348 3.4817476719500458 2.4810286345909196 1.5124781619578973 0.6712088270938982 0.2727565569582208 0.08111736755273077 0.011111111111111112 2.4791626766756036 2.8608157733898927 3.169542336943397 0.6853349268803774 0.5940300419160409 0.5193487301866357 0.8563047002507822 0 0.3832766380870198 0 0.38295110384266606 0 0.07665532761740396 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 0 0 439.6816501739504 470.2303013127444 564.3644456044925 544.3644724855958 378.43924400830093 16.646814213245676 12.992551862795384 17.32091977132564 22.529080994765245 17.090428004959172 0.5705468823813238 -0.04754557353177699 -0.2852734411906619 6.938893903907228e-18 6.938893903907228e-18 6 6 15.304897999999994 24.70710199999999 +0419_00002 11.99631995623619 16.001641543685977 -0.41779489824742594 0.11454761903393754 4.158292892380918 8.307141244842594 1 -4.568 212.19803783171443 1 6 1.46 0 9 13 0 30 0 0 -3.4509 11.908710809999999 44.3661 0 0 0 0 0 0 0 0 0 0 0 0 0.6676894954315784 60 315 20 25.953005170751226 1.8537860836250875 17.061489702122557 17.061489702122557 0 4.700439718141093 141.61 1 0.5 0 0 0 0 0.16666666666666669 3.838519496373775 0 5.6762400186093895 0 0 4.7288974764986005 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 6.477508650519031 3.96 1 659.07 0 153 11.300964908321223 6.450794822582285 5.348414618502774 4.741727243420504 2.258815158550555 1.0276793318707051 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b/processed_data/0419/0419_descriptors_isomeric_success.tsv @@ -0,0 +1,162 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 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+0419_00010 17,20,101,134,248,339,353,458,498,508,515,563,626,640,657,676,699,727,762,947,948,951,968 +0419_00011 2,15,91,97,115,117,127,134,137,158,178,186,220,245,289,307,328,349,406,409,418,438,461,480,508,513,515,570,586,597,617,626,637,640,647,654,668,683,748,827,830,832,855,887,899,948,968 +0419_00012 6,15,20,40,42,94,101,111,126,128,131,134,140,167,184,219,220,243,245,263,282,353,367,431,438,456,461,508,509,515,531,555,569,577,602,626,640,650,656,661,672,683,689,702,727,728,748,758,760,895,948,968,1001,1012,1016 +0419_00013 17,19,62,134,153,214,226,268,270,419,515,626,640,676,715,786,945,946,948,968,994,1002 +0419_00014 6,20,94,101,111,134,138,140,160,201,220,244,328,330,353,367,383,456,491,508,515,519,566,626,640,727,748,948,968,988 +0419_00015 2,15,20,43,50,88,89,97,126,134,153,158,173,186,193,201,220,245,311,312,318,326,327,328,330,346,347,369,409,435,438,461,467,508,513,515,519,570,577,584,587,597,626,640,683,705,719,727,748,754,762,781,787,791,814,830,852,855,883,886,899,905,936,948,968,974,976,982,1019 +0419_00016 6,15,20,40,42,94,101,105,111,134,140,167,175,219,220,263,282,297,330,353,367,438,446,456,461,508,515,531,555,577,582,602,626,627,640,645,661,672,683,726,727,748,760,786,788,948,951,968 +0419_00017 9,15,17,97,134,137,186,198,204,220,245,307,308,347,407,409,418,430,437,438,457,461,469,483,492,508,513,515,549,570,586,597,654,683,714,735,744,748,778,827,830,832,855,887,895,899,948,968,984,1011 +0419_00018 153,207,326,390,509,576,618,626,704,874 +0419_00019 4,42,44,61,86,89,132,134,153,167,184,185,201,205,212,220,221,242,245,252,264,278,326,328,347,349,364,367,371,378,382,403,420,426,446,460,461,463,486,497,508,515,534,549,626,636,640,656,669,683,705,713,737,746,748,778,794,850,854,858,882,889,936,941,948,959,968,977,994,1000 +0419_00020 6,17,20,22,62,94,101,134,153,178,241,283,289,339,353,365,456,508,515,626,636,637,640,676,719,727,786,910,947,948,951,952,968,994,1002 +0419_00021 1,20,39,42,52,86,89,95,97,134,153,170,213,220,245,278,296,328,329,330,347,369,384,399,409,435,461,473,503,508,513,519,544,552,555,562,570,586,626,640,660,683,712,719,724,727,744,747,748,750,762,777,785,787,791,810,830,854,855,886,899,913,936,948,951,968,974,989,990 +0419_00022 35,89,91,112,118,134,135,174,239,245,260,286,328,339,347,366,371,396,407,446,461,471,508,513,514,534,549,570,604,626,640,656,662,683,707,714,715,733,757,771,778,789,827,889,894,899,936,941,948,956,968,984,992 +0419_00023 12,15,20,21,29,91,134,146,245,255,326,328,347,356,369,374,438,458,461,468,508,513,515,542,549,576,626,640,643,654,682,683,709,710,719,727,748,754,762,778,783,784,825,827,877,887,902,948,968,997 +0419_00024 134,220,221,227,264,278,284,330,349,353,406,439,508,515,626,640,686,767,814,850,948,968,1000 +0419_00025 15,40,57,89,91,134,162,174,234,237,245,246,260,290,328,347,363,366,407,446,449,461,471,500,508,513,534,540,549,570,626,632,640,651,656,662,683,714,734,757,763,771,778,789,827,892,899,948,956,968,976,984,992 +0419_00026 20,29,30,34,42,134,169,174,215,245,264,326,328,347,375,397,437,458,461,468,475,508,549,568,583,588,626,640,681,683,727,731,744,748,758,762,768,778,789,798,827,851,852,902,939,941,948,979 +0419_00027 42,44,61,86,89,111,132,134,148,153,167,201,205,212,220,221,245,252,261,264,278,326,328,330,349,353,364,367,370,371,378,382,403,420,426,446,460,461,463,486,497,508,515,534,621,626,636,640,656,669,683,713,736,737,746,748,850,854,858,878,882,889,936,941,948,968,994 +0419_00028 4,37,42,52,79,92,97,134,174,220,245,286,296,300,330,347,369,397,409,461,503,508,513,515,549,570,683,705,712,748,778,813,818,830,855,862,899,948,968,981 +0419_00029 17,20,54,70,75,101,120,128,134,140,151,153,159,193,201,207,220,225,260,292,314,326,339,347,353,367,380,390,414,465,494,508,515,520,522,542,544,576,618,626,631,640,641,676,691,704,727,754,768,862,869,874,882,887,907,920,947,948,951,968 +0419_00030 2,15,50,97,114,131,134,143,158,167,186,201,220,222,245,276,328,330,353,383,409,438,461,508,513,515,519,570,597,626,640,683,748,830,855,899,948,968 +0419_00031 15,32,114,134,167,245,302,353,369,421,423,442,461,475,500,508,515,557,563,626,640,654,663,681,743,748,755,798,821,827,832,930,968,988 +0419_00032 1,15,17,26,39,42,53,79,109,134,146,175,205,220,245,255,263,328,339,358,367,371,426,429,438,460,461,491,508,515,538,542,569,620,626,640,656,676,683,718,719,727,748,759,783,802,861,895,905,929,935,948,966,968,1001,1012 +0419_00033 17,20,101,134,140,151,201,220,300,339,345,347,353,367,380,405,508,515,542,549,626,640,641,676,727,795,840,907,947,948,951,968 +0419_00034 7,42,52,97,134,201,220,245,296,330,353,394,409,460,461,499,503,508,513,515,570,586,626,640,661,683,689,712,718,748,789,823,830,855,899,914,948,968 +0419_00035 6,9,15,20,70,94,101,111,128,134,140,151,171,193,220,260,328,347,353,367,434,456,465,467,494,506,508,509,515,520,543,580,619,624,626,640,651,727,752,754,793,869,882,887,948,951,968 +0419_00036 1,2,15,20,39,43,50,88,89,97,126,134,153,158,186,193,201,220,245,312,318,328,330,347,363,369,409,435,438,461,467,508,513,515,519,544,552,555,570,577,584,587,597,626,640,683,705,719,727,748,750,762,781,785,787,791,814,824,830,852,855,883,886,899,905,936,948,951,968,974,976,982,989,1019 +0419_00037 15,17,40,126,128,134,146,167,184,220,243,245,267,353,367,426,438,460,461,508,509,515,542,552,569,619,626,640,645,650,656,661,676,683,689,692,701,728,748,758,759,800,895,935,948,968,1001,1012,1016,1022 +0419_00038 57,107,111,128,134,220,245,252,258,260,270,325,328,347,353,363,367,408,412,418,425,467,505,508,515,547,549,626,639,640,654,661,683,692,735,778,780,789,827,888,907,920,948,951,968,977,993 +0419_00039 17,113,123,134,153,243,245,258,270,326,347,353,354,387,408,412,418,420,508,515,529,590,601,626,640,650,654,661,676,683,703,761,774,809,827,850,868,904,947,953,968 +0419_00040 4,42,44,61,86,89,132,134,165,167,172,184,185,220,221,242,245,252,264,278,287,328,330,347,349,364,367,371,382,426,446,460,461,463,469,486,508,515,519,534,537,549,590,626,636,640,656,669,683,705,713,737,748,778,794,850,854,858,882,889,936,941,948,959,968,977,1000 +0419_00041 2,4,15,20,94,97,126,134,153,158,186,193,202,220,245,251,257,328,347,378,409,419,438,439,461,480,486,504,508,513,515,523,525,544,549,557,570,577,597,602,613,626,627,640,642,683,702,705,725,727,737,746,748,759,762,773,778,794,830,850,855,899,903,910,948,968 +0419_00042 17,20,51,94,123,134,169,170,176,211,245,258,353,354,387,408,412,418,456,458,480,508,515,529,626,640,650,654,661,676,683,703,727,827,850,853,868,897,904,947,968,1022 +0419_00043 14,15,40,73,76,89,96,134,145,175,217,233,237,245,264,272,320,332,351,371,380,421,424,438,444,453,487,502,508,524,540,550,575,592,593,651,662,663,686,695,772,787,836,846,904,968,979 +0419_00044 4,20,42,68,77,86,94,111,134,148,167,172,220,221,245,252,261,264,278,330,347,349,353,367,369,370,371,382,388,397,426,456,461,474,508,515,549,582,614,621,626,640,656,683,705,727,736,748,778,827,831,850,854,858,878,882,912,918,928,948,968,980 +0419_00045 4,6,20,44,94,101,134,140,192,201,220,244,328,330,341,347,367,369,377,456,508,515,549,566,626,640,700,705,727,778,948,968,988,993 +0419_00046 15,16,17,134,146,164,220,245,267,353,367,408,426,438,460,461,508,515,529,538,542,619,626,640,661,676,683,748,750,759,773,827,850,906,914,918,935,947,948,968,993 +0419_00047 6,17,20,22,45,62,94,101,134,153,241,283,289,339,353,365,456,508,515,626,636,637,640,676,679,719,727,778,786,789,826,896,910,947,948,951,968,994 +0419_00048 6,20,62,66,79,90,94,101,128,134,153,225,260,283,330,347,353,365,425,456,505,508,515,549,626,637,640,719,727,778,786,815,910,948,951,952,968,994,1002 +0419_00049 26,35,45,89,112,123,134,179,221,223,235,245,249,252,256,260,392,450,451,461,471,498,499,508,523,534,553,562,574,584,626,682,719,723,740,780,822,829,848,900,906,936,948,949,954,986,1009 +0419_00050 6,15,20,42,47,54,79,94,101,111,134,159,167,180,201,220,234,245,296,314,330,340,353,367,371,382,416,426,446,456,460,461,508,514,515,626,640,656,683,699,726,727,748,768,778,802,861,878,882,914,948,951,968,990 +0419_00051 6,17,20,54,70,94,101,128,134,140,151,171,193,201,220,225,260,339,347,353,367,380,434,456,465,494,508,515,520,542,619,626,640,641,676,727,754,869,882,887,907,947,948,951,968 +0419_00052 42,61,86,89,111,132,134,148,165,167,172,220,221,245,252,261,264,278,287,328,330,349,353,364,367,370,371,382,426,446,460,461,463,469,486,508,515,519,534,537,590,621,626,636,640,656,669,683,713,736,737,748,850,854,858,878,882,889,936,941,948,968 +0419_00053 107,113,123,128,134,153,243,245,252,258,260,270,326,347,353,363,408,412,418,420,425,505,508,515,549,590,601,626,628,640,650,654,661,683,761,774,778,780,809,827,904,948,951,953,968 +0419_00054 15,20,101,111,134,138,140,151,160,201,220,300,328,330,345,347,353,367,383,396,462,491,506,508,515,549,583,626,640,727,840,948,968,988 +0419_00055 1,20,39,42,43,52,89,97,126,130,134,153,220,245,249,296,318,330,336,347,353,389,397,409,435,457,461,467,499,503,508,513,515,544,552,555,570,571,578,608,626,640,643,661,683,705,712,718,719,727,748,750,760,762,785,787,791,823,824,830,852,855,867,886,899,905,923,936,948,950,968,974,982,983,989,993,1012 +0419_00056 15,20,89,101,111,115,134,140,151,220,221,237,264,278,300,328,330,337,345,347,349,353,367,425,506,508,515,549,583,603,626,640,727,840,850,948,968,1004 +0419_00057 6,20,42,44,47,67,86,92,94,101,111,134,148,153,154,167,201,205,220,221,227,245,252,261,264,278,326,328,330,349,353,367,370,371,382,403,420,426,432,456,461,508,515,613,616,621,626,640,656,683,727,736,746,748,821,850,854,858,878,882,896,948,968 +0419_00058 6,17,20,50,54,70,94,101,120,128,134,140,151,193,201,220,225,260,330,339,347,353,367,380,414,446,456,465,494,508,515,520,542,586,626,640,641,676,714,727,740,744,754,762,828,869,882,887,907,927,937,942,947,948,951,968,986,992,1002 +0419_00059 6,20,42,47,67,86,94,101,111,134,136,159,172,180,201,220,245,296,328,330,331,353,367,371,382,426,456,460,461,508,515,590,610,616,626,640,656,662,683,696,699,727,748,854,858,878,882,913,914,948,968,988,990 +0419_00060 4,6,15,20,39,42,44,94,100,101,113,131,134,140,151,193,219,220,242,263,284,288,300,307,330,345,347,367,438,441,456,461,508,515,527,531,549,582,602,626,658,664,683,705,727,742,748,760,778,788,813,840,921,948,968 +0419_00061 6,15,49,54,89,117,118,121,122,134,145,217,218,237,245,260,261,318,334,349,417,452,461,472,473,488,508,534,536,568,584,599,626,688,719,721,726,763,772,788,808,813,836,936,948,952,968 +0419_00062 4,6,15,20,44,76,94,101,111,115,134,140,151,164,166,194,220,221,264,278,313,328,330,337,347,349,353,367,418,451,456,465,494,508,515,520,527,545,549,557,626,640,646,700,705,715,727,744,778,780,828,850,948,954,968,997,998,1004 +0419_00063 96,134,145,213,245,249,326,335,421,458,487,508,535,550,626,640,674,681,787,820,827,833,850,870,968,987 +0419_00064 20,51,94,107,123,128,134,169,170,176,211,245,252,258,260,347,353,363,408,412,418,425,456,458,480,505,508,515,549,626,628,640,650,654,661,683,727,778,780,827,853,897,904,948,951,968,1022 +0419_00065 4,6,15,20,44,76,93,94,101,134,140,151,158,166,201,220,244,328,330,337,347,367,377,383,418,427,430,456,494,508,515,520,527,549,557,566,592,626,640,646,700,705,715,727,778,779,948,968,988 +0419_00066 4,6,15,20,44,67,76,94,101,134,140,151,166,208,220,221,264,278,328,330,337,347,349,367,413,418,456,463,494,508,515,520,527,545,549,557,575,603,626,640,646,700,705,714,715,727,744,778,780,812,828,850,930,945,948,968 +0419_00067 6,20,26,38,45,62,87,94,95,101,128,134,153,160,206,207,208,245,260,283,286,289,293,302,316,343,347,353,359,381,425,456,461,470,473,505,508,515,549,586,591,599,602,625,626,640,656,677,683,693,705,714,718,727,744,746,766,775,778,786,815,822,826,829,855,922,927,941,945,948,951,963,968,986,994,1017 +0419_00068 2,20,21,26,35,43,45,48,57,89,112,123,134,179,221,223,235,245,249,252,256,260,347,417,451,461,467,471,498,499,508,523,534,553,562,574,584,628,631,682,727,740,762,780,822,829,840,886,900,906,948,949,982,992,1009 +0419_00069 1,20,39,42,43,52,89,97,111,126,130,134,153,196,220,245,247,296,303,318,330,347,353,389,397,409,435,457,461,467,499,503,508,513,515,544,555,570,578,595,608,626,640,643,661,669,683,705,712,718,727,748,750,753,760,762,775,787,791,823,825,830,852,855,886,899,905,906,913,923,948,968,974,982,989,1012 +0419_00070 6,20,42,47,52,67,86,92,94,101,111,134,138,148,153,167,201,205,220,221,227,245,252,261,264,277,278,279,328,330,333,347,349,353,367,370,371,382,391,423,426,456,461,508,515,549,616,621,626,640,656,683,725,727,736,746,748,821,850,854,858,878,882,896,948,968 +0419_00071 21,28,36,107,123,128,134,245,252,258,260,278,347,349,353,363,408,412,418,425,441,505,508,515,517,549,553,620,626,628,640,650,654,661,683,699,778,780,825,827,850,904,948,951,968 +0419_00072 15,19,20,26,44,67,87,89,93,134,220,232,245,260,271,286,300,306,326,328,343,347,353,387,395,410,422,428,461,482,488,507,508,537,540,546,549,550,626,629,631,640,654,683,709,727,741,775,785,802,827,833,878,883,894,936,948,963,968,1001,1008 +0419_00073 6,20,54,70,77,90,94,101,128,134,140,151,171,193,220,225,260,347,353,367,414,425,434,456,465,494,505,508,515,520,549,619,626,640,727,754,778,869,882,887,893,907,948,951,968 +0419_00074 4,6,17,20,62,70,72,73,94,101,128,134,151,153,205,223,241,260,281,283,284,330,332,339,347,353,366,422,456,494,497,508,515,520,521,522,527,530,549,571,577,591,609,626,636,640,676,695,705,719,727,738,754,778,780,826,862,865,887,947,948,951,962,968,972,994 +0419_00075 6,7,20,42,47,67,86,92,94,98,101,104,111,134,138,148,153,167,177,201,202,205,220,221,227,245,252,261,264,265,277,278,328,330,347,349,353,367,370,371,382,426,456,461,469,508,515,538,544,551,570,616,621,626,640,656,657,683,725,727,736,737,746,748,794,807,821,850,854,858,878,882,896,948,968 +0419_00076 1,17,34,45,62,134,153,158,181,182,245,283,289,353,371,456,461,508,513,515,529,566,601,626,635,640,656,661,676,683,710,722,748,778,779,786,804,815,826,884,927,946,947,948,967,968,979,989,994 +0419_00077 20,89,90,96,107,134,138,145,153,188,203,207,236,241,254,273,277,292,297,298,322,323,347,374,396,397,415,421,487,508,516,543,544,550,689,690,727,739,757,802,836,863,865,868,897,898,943,948,961,968,994,1014 +0419_00078 4,6,17,20,54,70,94,98,101,128,134,140,151,165,171,193,220,225,260,347,353,367,414,434,446,456,465,494,508,515,520,527,542,549,619,626,640,641,676,702,705,727,728,754,778,869,882,887,907,948,949,951,968,976 +0419_00079 6,20,45,62,66,90,94,101,128,134,153,225,260,283,330,347,353,365,425,456,505,508,515,549,602,626,637,640,719,727,778,786,789,815,826,896,910,948,951,968,994 +0419_00080 4,6,17,20,54,70,94,101,128,134,140,151,165,171,193,201,220,225,260,309,339,347,353,367,380,434,456,465,472,494,508,515,520,527,542,549,571,591,593,619,626,640,641,676,705,727,754,778,869,882,887,907,947,948,951,968,976 +0419_00081 4,6,15,20,42,44,47,54,79,94,101,134,159,167,220,234,245,274,296,314,330,340,347,353,367,369,371,382,397,416,426,446,456,461,508,514,515,549,626,640,656,683,705,726,727,748,768,778,802,861,862,882,926,948,951,968,977,1013 +0419_00082 4,19,20,90,95,96,107,134,138,145,151,153,159,188,203,207,219,236,241,254,292,297,298,322,347,374,394,415,421,473,487,508,516,521,544,550,609,656,689,727,739,757,758,775,777,802,868,897,898,912,917,923,948,957,961,968,978,994 +0419_00083 6,20,21,42,47,67,86,92,94,101,111,134,138,148,153,167,201,202,205,220,221,227,245,252,261,264,277,278,328,330,347,349,353,367,370,371,382,426,456,461,475,480,485,508,515,530,544,545,616,621,626,640,656,657,683,699,725,727,736,746,748,752,821,839,850,854,858,878,882,896,948,968,993,1019 +0419_00084 15,17,115,134,146,164,198,220,245,267,280,283,353,367,406,408,426,438,460,461,508,515,538,542,603,619,626,640,661,676,683,686,748,759,814,827,850,906,914,918,935,948,968,993 +0419_00085 4,6,10,15,20,44,93,94,101,134,140,151,158,201,220,221,242,244,264,278,328,330,337,347,349,367,377,383,427,430,456,494,495,508,515,520,549,566,592,603,606,626,640,700,705,712,720,727,778,779,850,948,968,988,1012 +0419_00086 15,20,89,103,120,130,134,139,145,153,183,205,207,245,256,260,266,280,285,296,347,417,461,493,497,508,526,534,539,581,608,626,673,719,727,762,771,780,802,816,855,865,886,906,910,923,936,948,964,978,982,993,1018,1022 +0419_00087 4,6,10,15,20,44,67,94,101,134,140,151,208,220,221,242,264,278,328,330,337,347,349,367,413,456,463,494,495,508,515,520,545,549,575,603,606,626,640,705,712,714,720,727,744,778,780,812,828,850,930,945,948,968,1012 +0419_00088 36,44,71,95,123,134,164,207,220,222,245,258,272,280,283,329,353,406,408,412,418,487,508,515,550,552,626,640,650,654,661,667,683,686,719,781,799,814,827,837,873,948,968 +0419_00089 6,17,20,54,70,94,101,128,134,140,151,171,193,201,220,225,260,339,347,353,367,380,414,434,456,465,494,508,515,520,542,619,626,640,641,676,727,754,869,882,887,907,947,948,951,968 +0419_00090 20,37,52,54,58,89,94,134,136,153,207,225,231,245,305,353,384,390,394,399,434,461,498,508,534,545,547,556,593,607,614,626,636,656,661,662,674,677,698,720,727,778,791,802,866,910,925,948,1008,1018 +0419_00091 4,6,17,19,20,22,45,62,94,101,134,151,153,181,225,241,283,328,347,353,365,456,486,494,501,508,515,520,527,535,549,591,626,640,657,676,685,702,705,719,727,728,744,772,778,786,789,792,818,826,828,855,892,896,927,932,948,949,968,971,994 +0419_00092 4,6,15,20,44,70,94,101,109,128,134,140,151,171,192,193,201,220,260,328,330,337,341,347,353,367,369,434,456,465,494,508,515,520,543,549,619,626,640,705,727,754,778,797,869,882,887,948,951,968,988,993 +0419_00093 12,46,80,122,134,207,220,222,245,258,270,280,314,329,353,406,408,412,418,508,515,572,586,597,626,640,654,661,683,686,735,814,827,837,880,917,948,968,993 +0419_00094 12,17,46,57,80,85,111,119,122,134,207,220,222,245,258,270,280,329,353,354,366,367,387,406,408,412,418,421,426,429,508,515,529,572,586,597,626,640,654,661,676,683,686,703,735,796,811,814,827,837,850,880,917,947,948,968,993 +0419_00095 4,6,17,20,22,45,62,70,94,101,134,151,153,181,241,260,281,283,330,347,365,366,456,494,508,515,520,527,549,571,591,609,626,640,676,687,702,705,719,722,727,728,731,754,778,786,789,792,818,826,855,887,896,948,968,990,994 +0419_00096 4,20,133,134,138,153,207,231,270,284,328,342,347,387,391,438,508,515,544,549,626,636,640,665,705,706,715,727,774,778,786,790,833,856,899,916,919,926,948,954,968 +0419_00097 6,15,20,32,42,45,62,79,94,101,102,134,153,167,173,220,223,245,283,328,332,336,353,359,371,422,433,456,458,461,485,497,503,508,515,522,530,543,577,579,593,625,626,640,656,683,695,719,727,746,748,752,769,775,778,786,802,826,861,862,882,890,897,932,948,951,962,968,994 +0419_00098 20,55,96,134,145,159,178,217,223,245,260,298,300,320,326,335,347,355,367,395,421,436,461,474,481,487,491,497,505,508,535,540,549,550,560,576,577,625,626,627,640,656,666,678,681,727,748,778,789,812,897,898,936,948,968,974,980 +0419_00099 20,64,67,72,89,94,122,134,153,245,256,260,268,272,353,385,394,417,461,466,497,508,526,530,534,547,556,626,650,661,662,663,675,677,727,729,743,762,778,786,791,906,908,910,918,948,1008 +0419_00100 4,20,21,44,52,82,101,134,151,191,215,220,221,264,278,285,328,330,331,347,349,360,367,369,413,421,444,494,508,515,520,549,603,613,626,634,640,656,669,702,705,717,727,732,744,752,778,792,828,850,948,968,1002,1014 +0419_00101 6,15,20,66,79,89,94,101,111,115,120,134,140,151,153,201,220,221,237,264,278,328,330,337,347,349,353,367,383,390,400,456,459,491,506,508,515,544,592,603,617,626,634,640,655,659,685,703,719,725,727,791,850,932,948,968,988,1004 +0419_00102 6,17,20,45,62,70,72,73,94,101,128,134,151,153,205,223,241,260,283,284,330,332,339,347,353,365,422,456,494,497,508,515,520,522,530,577,602,626,636,637,640,676,695,719,727,754,778,786,789,815,826,862,865,869,887,896,910,947,948,951,962,968,972,990,994,1022 +0419_00103 4,20,31,55,58,68,96,134,145,159,178,181,185,211,223,245,249,265,269,280,300,320,326,335,347,367,408,411,421,436,461,474,487,491,497,508,535,540,549,550,576,626,640,656,681,687,705,727,748,778,789,824,833,858,899,948,949,968,974,987 +0419_00104 20,35,39,49,62,96,134,138,145,153,187,199,203,207,220,230,270,292,297,298,325,342,347,374,415,421,461,487,508,516,527,536,544,550,558,577,588,614,673,690,721,727,732,739,752,800,802,863,897,898,900,948,953,965,968,985,987,989,1004 +0419_00105 4,6,19,20,45,62,94,101,102,134,151,153,225,260,264,283,328,330,347,353,365,425,456,486,494,501,505,508,515,520,527,535,549,591,626,640,657,677,685,705,713,719,727,744,772,778,786,789,826,828,855,892,896,927,932,948,949,952,968,971,994,1002 +0419_00106 15,20,26,39,42,44,93,101,126,134,175,199,216,220,245,328,330,347,359,366,413,418,435,458,461,463,499,500,507,508,509,512,532,542,545,549,562,590,626,632,640,683,699,700,722,724,727,741,745,762,791,907,948,963,964,973,988 +0419_00107 20,64,67,72,89,94,122,134,153,245,256,260,268,272,353,385,394,417,461,466,497,508,526,530,534,547,556,626,650,661,662,663,675,677,727,729,743,762,778,786,791,906,908,910,918,948,1008 +0419_00108 1,9,20,25,72,89,94,134,153,168,189,220,245,332,417,456,461,466,469,497,508,529,530,534,547,556,626,630,649,650,656,662,675,687,727,762,778,792,812,867,910,918,937,948,964,1008 +0419_00109 6,20,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,283,284,330,347,353,425,456,494,505,508,515,520,522,530,549,580,611,626,637,640,695,719,727,754,778,780,796,815,853,865,869,887,915,948,951,968,972,994,1022 +0419_00110 1,9,14,20,25,72,89,94,119,134,153,168,183,189,207,220,225,231,245,303,326,332,384,399,456,461,469,508,529,534,547,556,576,625,626,630,649,656,662,687,727,773,778,792,802,812,867,910,937,948,964,1008 +0419_00111 15,128,134,164,220,245,259,260,267,316,335,347,353,367,408,425,426,438,442,461,465,488,505,508,513,515,538,549,594,619,626,640,661,683,746,748,778,827,906,914,918,948,951,968 +0419_00112 15,20,49,53,62,64,89,94,110,134,147,153,179,192,244,245,256,260,283,336,347,393,461,464,489,508,526,534,547,556,592,626,662,677,727,737,755,771,778,781,826,872,906,910,948,964,994,1008 +0419_00113 4,6,15,20,32,42,45,62,79,94,101,134,153,167,179,215,220,223,245,283,328,332,336,347,353,359,362,371,422,433,456,458,461,485,497,503,508,515,522,530,543,549,579,593,625,626,640,656,665,683,690,695,705,719,727,746,748,769,775,778,786,802,826,856,861,862,882,890,897,902,948,951,962,968,994,998 +0419_00114 15,16,20,28,40,89,134,174,234,237,245,260,296,328,347,360,363,366,407,413,446,449,456,461,476,500,508,513,520,534,540,549,570,593,626,632,640,651,656,662,683,714,727,744,757,762,763,778,789,827,834,845,875,880,886,892,899,948,965,968,976,984,992 +0419_00115 6,20,94,101,111,115,134,140,151,220,221,237,264,278,328,330,337,349,353,367,456,508,515,519,566,603,626,640,666,727,850,948,968,1004 +0419_00116 15,17,20,26,42,44,101,126,127,134,175,199,216,220,245,328,330,347,356,359,413,418,435,458,461,499,500,508,509,512,545,549,562,626,632,640,683,699,700,709,719,724,727,739,741,745,762,765,778,791,803,868,895,948,963,973,988 +0419_00117 20,37,52,54,58,72,89,94,134,153,245,353,394,417,434,461,466,497,498,508,530,534,545,547,556,593,607,614,626,636,650,656,662,674,675,677,698,727,762,778,791,866,910,918,925,948,1008,1018 +0419_00118 6,20,24,34,38,45,62,94,101,128,130,134,143,153,158,223,245,260,283,291,293,332,341,347,353,355,361,371,422,425,456,461,468,497,504,505,506,508,513,515,522,530,540,549,566,586,591,601,625,626,635,640,646,651,656,677,683,695,705,722,727,744,746,748,766,776,778,779,786,804,815,826,862,922,927,932,941,946,948,951,967,968,979,986,994,1017 +0419_00119 6,15,20,45,62,64,68,79,94,101,123,134,153,167,211,223,253,260,267,283,286,316,330,347,353,359,425,438,456,461,505,508,513,515,528,549,574,610,619,625,626,640,645,683,719,724,727,733,746,748,775,778,786,810,826,897,931,948,951,968,994,1002 +0419_00120 20,37,52,54,58,72,89,94,134,153,245,353,394,417,434,461,466,497,498,508,530,534,545,547,556,593,607,614,626,636,650,656,662,674,675,677,698,727,762,778,791,866,910,918,925,948,1008,1018 +0419_00121 4,6,20,44,82,93,94,101,134,140,151,158,192,201,220,244,272,328,330,331,347,357,367,369,377,383,386,427,430,437,456,491,494,508,515,520,549,566,592,612,626,640,700,705,727,744,778,779,948,968,988 +0419_00122 4,6,20,45,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,281,283,284,330,332,347,353,365,366,422,425,456,494,497,505,508,515,520,522,527,530,549,571,591,609,626,640,695,705,719,722,727,731,754,778,786,789,826,862,865,887,896,948,951,962,968,972,990,994 +0419_00123 20,37,52,54,58,72,89,94,134,153,245,353,394,417,434,461,466,497,498,508,530,534,545,547,556,593,607,614,626,636,650,656,662,674,675,677,698,727,762,778,791,866,910,918,925,948,1008,1018 +0419_00124 1,16,20,62,66,72,90,96,101,128,134,151,152,153,225,260,263,283,300,328,330,345,347,353,365,425,486,494,501,505,508,515,520,535,549,588,626,640,651,719,727,744,778,786,787,828,840,892,927,932,948,951,952,968,971,994,1002 +0419_00125 6,15,17,20,32,42,45,62,79,94,101,112,134,153,167,191,220,223,233,241,245,263,283,301,303,332,353,359,371,422,438,456,458,461,497,508,515,522,530,543,579,593,625,626,628,640,656,672,676,683,695,719,727,746,748,759,775,778,786,802,826,861,862,889,890,897,904,935,948,951,962,968,994 +0419_00126 10,15,20,44,89,93,101,111,115,134,140,151,158,201,220,221,237,264,278,300,328,330,337,345,347,349,353,367,383,427,430,462,494,506,508,515,520,549,583,592,603,626,640,705,727,779,797,840,850,948,968,988,1004 +0419_00127 4,6,15,20,44,93,94,101,109,134,140,151,158,192,201,220,244,328,330,337,341,347,367,369,377,383,427,430,456,494,508,515,520,549,566,592,626,640,700,705,727,778,779,797,948,968,988,993 +0419_00128 6,15,20,26,79,89,94,101,111,115,120,134,140,151,153,173,220,221,237,264,278,328,330,337,347,349,353,367,390,456,491,506,508,515,544,592,603,617,626,634,640,655,659,685,703,719,725,727,850,884,932,948,968,1004 +0419_00129 20,39,47,49,55,89,94,96,107,134,145,153,178,207,221,245,249,270,298,320,326,335,395,421,436,461,474,487,488,491,497,508,516,527,535,540,550,568,576,602,625,626,637,640,656,673,681,687,727,729,739,748,789,797,802,825,833,842,887,897,898,948,968,974,987 +0419_00130 6,20,42,47,67,86,92,94,99,101,111,134,138,148,153,167,201,205,220,221,227,245,252,261,264,265,277,278,328,330,347,349,353,367,370,371,382,426,456,461,505,508,515,574,616,621,626,640,656,683,725,727,733,736,746,748,776,821,850,854,858,878,882,896,904,948,968,994 +0419_00131 20,55,62,89,94,96,107,134,145,153,178,207,210,230,245,249,251,270,298,310,320,326,335,395,421,436,461,474,487,488,491,497,508,516,535,540,550,558,568,576,588,602,625,626,637,640,656,673,681,687,727,729,739,748,755,789,797,833,842,887,897,898,968,974,987,989 +0419_00132 17,20,23,26,42,101,124,125,134,154,197,220,234,245,269,325,328,330,396,418,458,461,476,480,499,505,508,512,513,602,626,640,699,719,727,745,748,762,765,778,793,803,815,836,843,853,894,914,921,930,948,968,988,998,1024 +0419_00133 6,17,20,22,45,62,70,72,94,101,116,128,134,151,153,241,260,283,330,339,347,353,365,456,494,508,515,520,577,602,626,636,637,640,676,719,727,754,778,786,787,789,815,826,869,887,896,910,947,948,951,968,990,994,1022 +0419_00134 6,20,45,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,283,284,330,347,353,365,425,456,494,505,508,515,520,522,530,549,580,602,626,637,640,695,719,727,754,778,786,789,796,815,826,865,869,887,896,910,915,948,951,968,972,990,994,1022 +0419_00135 6,20,42,47,67,86,92,94,101,111,134,138,148,153,167,201,202,205,220,221,227,245,252,261,264,277,278,320,328,330,347,349,353,367,370,371,382,426,456,461,508,515,544,616,621,626,640,656,657,683,725,727,736,746,748,762,821,850,854,858,878,882,886,896,948,964,968,989 +0419_00136 6,15,20,45,62,66,68,70,72,90,94,96,101,127,128,134,151,153,225,260,283,294,330,347,353,365,425,456,467,494,497,505,508,515,520,530,549,602,626,637,640,719,727,754,778,786,787,789,792,815,824,826,869,887,896,897,910,948,951,968,990,994,1022 +0419_00137 6,20,62,66,70,72,79,90,94,96,101,128,134,151,153,225,260,283,330,347,353,365,425,456,494,505,508,515,520,549,588,626,637,640,719,727,754,778,786,787,815,869,887,910,948,951,952,968,990,994,1002,1022 +0419_00138 4,6,15,20,32,42,45,62,79,94,101,134,153,167,179,215,220,245,283,328,336,347,353,359,362,371,433,456,458,461,485,503,508,515,543,549,578,604,625,626,640,656,683,690,705,712,719,727,746,748,769,775,778,786,789,802,826,856,861,882,890,897,948,951,959,968,994,998 +0419_00139 15,17,115,134,146,220,267,280,343,353,367,406,426,438,460,461,515,542,603,619,626,640,660,661,676,683,684,686,701,748,759,800,814,850,885,935,948,968,998,1022 +0419_00140 4,20,23,26,42,66,93,101,124,125,134,154,197,207,220,234,245,269,325,328,330,418,448,458,461,463,476,499,508,512,513,590,602,611,626,640,699,722,727,745,748,762,793,815,843,853,907,921,930,948,968,988,998,1024 +0419_00141 20,46,62,94,107,153,207,212,225,231,272,283,399,400,466,500,508,536,556,568,626,662,727,755,778,781,802,826,828,854,948,994 +0419_00142 20,62,64,67,89,94,122,134,153,245,256,260,268,272,283,353,385,394,461,508,526,534,547,556,626,661,662,663,677,727,729,743,755,778,781,786,791,826,906,908,910,948,994,1008 +0419_00143 20,33,46,62,94,107,134,153,207,212,225,231,275,283,399,442,458,466,480,508,511,556,568,626,629,653,662,727,755,778,781,807,826,948,994 +0419_00144 6,20,45,62,66,70,72,79,90,93,94,96,101,128,134,151,153,225,260,283,330,347,353,365,425,456,494,505,508,515,520,549,626,637,640,719,727,754,778,786,787,789,815,826,869,887,896,910,948,951,952,968,990,994,1002,1022 +0419_00145 6,12,15,20,26,45,62,94,101,106,132,134,138,144,146,153,163,167,201,234,245,279,283,342,347,353,359,370,375,376,392,412,456,461,508,512,513,515,521,549,584,602,625,626,640,647,711,719,727,729,733,746,748,775,777,778,786,796,826,838,892,897,934,939,948,951,968,994 +0419_00146 20,55,96,134,145,159,178,217,223,245,249,298,300,320,326,335,347,355,367,395,421,436,461,474,487,491,497,508,535,540,549,550,576,577,625,626,640,656,678,681,687,727,748,789,833,897,898,948,968,974,987 +0419_00147 4,6,20,45,62,70,94,101,102,134,151,153,224,225,260,264,281,283,330,347,365,366,425,456,494,505,508,515,520,527,549,571,591,609,626,677,687,705,719,722,727,731,754,778,786,789,826,855,887,896,948,968,990,994 +0419_00148 6,15,17,20,42,62,79,94,101,134,153,167,186,191,223,233,241,245,263,283,301,303,332,353,361,371,422,438,456,461,468,497,508,515,522,530,579,593,625,626,628,640,656,672,676,683,695,719,722,727,746,748,759,778,802,826,861,862,889,890,897,904,921,935,948,951,962,966,968,993,994 +0419_00149 4,56,96,134,145,245,249,335,421,447,461,487,492,508,535,550,576,656,670,676,681,748,798,803,833,941,968,987 +0419_00150 20,55,60,62,89,96,134,145,153,178,180,207,210,230,245,249,251,265,270,298,300,320,326,335,347,395,417,421,436,461,474,479,487,488,491,497,508,516,517,535,540,549,550,558,568,576,588,625,626,637,640,656,673,681,687,694,727,729,739,748,789,797,833,863,887,897,898,948,968,974,987,989 +0419_00151 15,49,70,82,85,95,96,134,145,150,152,227,245,249,272,326,335,421,431,461,487,491,501,508,535,539,550,576,585,626,640,654,656,681,687,714,723,728,746,748,750,798,833,835,861,941,943,953,968,987 +0419_00152 20,54,70,77,90,101,128,134,140,151,193,220,225,260,300,345,347,353,367,405,414,425,465,494,505,508,515,520,549,626,640,727,754,778,795,840,869,882,887,893,907,948,951,968 +0419_00153 20,39,49,55,60,89,96,134,145,153,178,207,245,249,270,298,300,320,326,335,347,395,421,436,461,474,479,487,488,491,497,508,516,527,535,540,549,550,568,576,625,626,637,640,656,670,673,681,683,687,721,727,729,739,748,789,797,800,802,833,863,871,887,897,898,948,968,974,987 +0419_00154 20,39,61,94,102,107,133,153,207,226,236,237,244,254,262,335,347,390,444,497,500,503,508,509,528,532,538,603,626,644,648,658,692,727,728,773,784,802,852,854,863,882,948,994 +0419_00155 4,6,20,62,66,72,90,94,96,101,128,134,151,153,179,225,260,283,328,330,347,353,365,425,454,456,485,494,501,505,508,515,520,549,551,569,588,620,626,640,685,705,719,727,744,778,786,787,828,929,948,949,951,952,968,994,1002 +0419_00156 20,21,42,101,134,151,195,217,220,221,231,264,278,300,328,330,345,347,349,354,378,413,421,440,476,494,508,520,549,574,603,626,634,640,679,717,727,744,828,840,850,865,913,917,922,923,948,988,1002 +0419_00157 20,37,52,54,58,62,89,94,134,153,245,283,353,394,434,461,498,508,534,545,547,556,593,607,614,626,636,656,662,674,677,698,727,755,778,781,791,826,866,910,925,948,994,1008,1018 +0419_00158 14,15,18,20,26,27,35,60,80,89,94,115,134,135,163,174,179,193,205,214,222,244,250,260,274,282,285,289,321,333,377,384,394,401,463,473,482,488,495,499,508,545,570,572,595,626,636,654,656,661,678,727,746,747,763,765,769,772,780,786,791,819,828,843,852,916,920,936,948,951,964,968,1009,1014 +0419_00159 20,64,67,89,94,122,134,144,153,245,256,260,268,272,310,353,385,394,451,461,508,526,534,547,556,626,661,662,663,670,677,718,727,729,743,778,784,786,791,794,906,908,910,948,977,999,1008 +0419_00160 20,46,60,62,94,107,134,153,207,212,225,231,283,300,347,399,442,453,458,466,480,508,511,548,549,556,568,626,647,653,662,727,755,762,778,781,826,853,863,948,994,1006 +0419_00161 20,62,64,67,89,94,122,134,153,245,256,260,268,272,283,353,385,394,461,508,526,534,547,556,626,661,662,663,677,727,729,743,755,778,781,786,791,826,906,908,910,948,994,1008 diff --git a/processed_data/0419/0419_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0419/0419_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..b2d63a3da --- /dev/null +++ b/processed_data/0419/0419_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,162 @@ +id bits.on +0419_00001 15,153,207,323,326,390,533,538,562,576,626,701,702 +0419_00002 15,153,207,310,323,324,326,390,517,533,538,562,576,626,701 +0419_00003 10,15,21,26,41,43,44,89,134,139,153,157,193,207,245,326,347,374,470,508,516,549,576,583,626,669,710,720,726,743,749,769,778,855,880,887,925,931,948,953,973,1019 +0419_00004 10,15,20,21,26,41,44,89,90,113,134,139,153,166,193,207,231,245,326,341,347,358,374,379,440,470,481,508,516,530,549,576,583,626,648,669,685,710,726,727,743,749,769,778,855,880,892,925,931,940,948,953,973,1019 +0419_00005 20,94,177,265,469,508,511,551,626,727,850 +0419_00006 10,15,20,21,26,41,44,89,94,134,139,153,166,193,207,231,245,261,326,347,374,379,460,470,480,508,516,530,549,576,583,626,648,669,685,710,726,727,743,749,752,769,778,855,880,892,925,931,948,953,973,1016,1019 +0419_00007 4,6,17,20,60,94,101,134,140,220,347,367,456,501,508,515,527,542,549,613,626,640,641,676,702,705,727,728,734,778,948,949,968 +0419_00008 134,136,201,220,269,284,330,353,371,406,515,626,640,686,814,948,968,986 +0419_00009 6,17,20,94,101,118,134,140,171,220,339,353,367,380,434,456,508,515,542,626,640,641,676,727,947,948,951,968 +0419_00010 17,20,101,134,248,339,353,458,498,508,515,563,626,640,657,676,699,727,762,947,948,951,968 +0419_00011 2,15,91,97,115,117,127,134,137,158,178,186,220,245,289,307,328,349,406,409,418,438,461,480,508,513,515,570,586,597,617,626,637,640,647,654,668,683,748,827,830,832,855,887,899,948,968 +0419_00012 6,15,20,40,42,94,101,111,126,128,131,134,140,167,184,219,220,243,245,263,282,353,367,431,438,456,461,508,509,515,531,555,569,577,602,626,640,650,656,661,672,683,689,702,727,728,748,758,760,895,948,968,1001,1012,1016 +0419_00013 17,19,62,134,153,214,226,268,270,419,515,626,640,676,715,786,945,946,948,968,994,1002 +0419_00014 6,20,94,101,111,134,138,140,160,201,220,244,328,330,353,367,383,456,491,508,515,519,566,626,640,727,748,948,968,988 +0419_00015 2,12,15,20,43,50,85,89,97,134,153,158,186,187,189,193,197,200,201,220,226,245,311,312,318,326,328,330,341,347,351,409,438,442,445,461,467,493,508,513,515,519,570,577,587,597,602,624,626,640,683,705,719,727,743,748,762,770,814,830,855,886,899,936,948,968,974,980,982 +0419_00016 6,15,20,40,42,94,101,105,111,134,140,167,175,219,220,263,282,297,330,353,367,438,446,456,461,508,515,531,555,577,582,602,626,627,640,645,661,672,683,726,727,748,760,786,788,948,951,968 +0419_00017 9,15,17,97,134,137,186,198,204,220,245,307,308,347,407,409,418,430,437,438,457,461,469,483,492,508,513,515,549,570,586,597,654,683,714,735,744,748,778,827,830,832,855,887,895,899,948,968,984,1011 +0419_00018 49,153,207,300,323,326,390,576,626,701,758,775,808 +0419_00019 4,42,44,59,61,86,89,132,134,153,167,176,177,184,185,201,205,212,220,221,242,245,248,252,264,278,326,328,347,349,367,371,378,382,403,420,426,446,461,492,508,515,534,549,599,626,640,642,656,683,705,713,746,748,778,783,794,808,850,854,858,879,882,889,936,941,948,959,968,977,1000 +0419_00020 6,17,20,22,62,94,101,134,153,178,241,283,289,339,353,365,456,508,515,626,636,637,640,676,719,727,786,910,947,948,951,952,968,994,1002 +0419_00021 1,20,42,52,86,89,93,95,97,134,153,177,200,213,220,245,263,278,279,296,300,328,329,330,347,351,384,409,442,461,493,501,503,508,511,513,517,519,533,544,555,557,562,570,586,626,640,662,663,683,712,719,727,730,744,747,748,762,811,830,855,886,899,913,936,948,968,974,989,990 +0419_00022 6,89,91,134,135,174,187,200,207,245,260,279,286,328,347,366,407,446,461,471,508,513,514,516,534,549,570,604,626,635,640,656,662,683,714,715,757,771,778,789,827,862,889,894,899,936,941,948,956,968,984,992 +0419_00023 12,15,20,21,29,91,93,105,134,138,245,307,326,328,347,356,418,438,458,461,468,508,513,515,549,576,585,626,640,654,683,710,719,727,748,762,778,783,784,825,827,887,902,922,948,968,982,990,997,1000,1002 +0419_00024 134,220,221,227,264,278,284,330,349,353,406,439,508,515,626,640,686,767,814,850,948,968,1000 +0419_00025 6,15,40,57,89,91,134,162,168,174,234,245,246,260,328,347,366,407,446,451,461,471,508,513,534,540,549,570,577,619,626,640,656,662,683,714,734,737,757,771,778,789,827,880,887,890,892,899,948,956,968,976,984,992 +0419_00026 20,29,30,34,42,134,169,174,215,245,264,326,328,347,375,397,437,458,461,468,475,508,549,568,583,588,626,640,681,683,727,731,744,748,758,762,768,778,789,798,827,851,852,902,939,941,948,979 +0419_00027 42,44,59,61,86,89,111,132,134,148,153,167,176,177,201,205,212,220,221,245,248,252,261,264,278,326,328,330,349,353,367,370,371,378,382,403,420,426,446,461,492,508,515,534,599,621,626,640,642,656,683,713,736,746,748,783,808,850,854,858,878,879,882,889,936,941,948,968 +0419_00028 4,37,42,52,79,92,97,134,174,220,245,286,296,300,330,347,369,397,409,461,503,508,513,515,549,570,683,705,712,748,778,813,818,830,855,862,899,948,968,981 +0419_00029 17,20,54,70,75,101,120,128,134,140,151,153,159,193,201,207,220,225,260,292,314,326,339,347,353,367,380,390,414,465,494,508,515,520,522,542,544,576,618,626,631,640,641,676,691,704,727,754,768,862,869,874,882,887,907,920,947,948,951,968 +0419_00030 2,15,50,97,114,131,134,143,158,167,186,201,220,222,245,276,328,330,353,383,409,438,461,508,513,515,519,570,597,626,640,683,748,830,855,899,948,968 +0419_00031 15,32,114,134,167,245,302,353,369,421,423,442,461,475,500,508,515,557,563,626,640,654,663,681,743,748,755,798,821,827,832,930,968,988 +0419_00032 1,15,17,26,39,42,53,79,109,134,146,175,205,220,245,255,263,328,339,358,367,371,426,429,438,460,461,491,508,515,538,542,569,620,626,640,656,676,683,718,719,727,748,759,783,802,861,895,905,929,935,948,966,968,1001,1012 +0419_00033 17,20,101,134,140,151,201,220,300,339,345,347,353,367,380,405,508,515,542,549,626,640,641,676,727,795,840,907,947,948,951,968 +0419_00034 7,42,52,97,134,201,220,245,296,330,353,394,409,460,461,499,503,508,513,515,570,586,626,640,661,683,689,712,718,748,789,823,830,855,899,914,948,968 +0419_00035 6,9,15,20,70,94,101,111,128,134,140,151,171,193,220,260,328,347,353,367,434,456,465,467,494,506,508,509,515,520,543,580,619,624,626,640,651,727,752,754,793,869,882,887,948,951,968 +0419_00036 1,2,12,15,20,43,50,89,97,134,153,158,177,186,187,189,193,197,200,201,220,226,245,263,312,318,328,330,341,347,348,351,409,438,442,445,461,467,493,508,513,515,517,519,544,555,570,577,587,597,624,626,640,662,663,683,705,719,727,748,762,770,814,830,855,886,899,936,948,968,974,982,989 +0419_00037 15,17,40,126,128,134,146,167,184,220,243,245,267,353,367,426,438,460,461,508,509,515,542,552,569,619,626,640,645,650,656,661,676,683,689,692,701,728,748,758,759,800,895,935,948,968,1001,1012,1016,1022 +0419_00038 57,107,111,128,134,220,245,252,258,260,270,325,328,347,353,363,367,408,412,418,425,467,505,508,515,547,549,626,639,640,654,661,683,692,735,778,780,789,827,888,907,920,948,951,968,977,993 +0419_00039 17,113,123,134,153,243,245,258,270,326,347,353,354,387,408,412,418,420,508,515,529,590,601,626,640,650,654,661,676,683,703,761,774,809,827,850,868,904,947,953,968 +0419_00040 4,42,44,61,86,89,132,134,165,167,172,184,185,220,221,242,245,252,264,278,287,328,330,347,349,364,367,371,382,426,446,460,461,463,469,486,508,515,519,534,537,549,590,626,636,640,656,669,683,705,713,737,748,778,794,850,854,858,882,889,936,941,948,959,968,977,1000 +0419_00041 2,4,15,20,94,97,126,134,153,158,186,193,202,220,245,251,257,328,347,378,409,419,438,439,461,480,486,504,508,513,515,523,525,544,549,557,570,577,597,602,613,626,627,640,642,683,702,705,725,727,737,746,748,759,762,773,778,794,830,850,855,899,903,910,948,968 +0419_00042 17,20,51,94,123,134,169,170,176,211,245,258,353,354,387,408,412,418,456,458,480,508,515,529,626,640,650,654,661,676,683,703,727,827,850,853,868,897,904,947,968,1022 +0419_00043 15,63,73,89,90,96,118,134,145,147,150,175,228,237,245,264,272,332,371,380,384,387,410,421,423,438,487,492,500,508,524,538,540,543,550,592,604,615,620,651,652,662,663,668,672,701,738,759,760,772,836,852,933,956,968,981,982 +0419_00044 4,20,42,68,77,86,94,111,134,148,167,172,220,221,245,252,261,264,278,330,347,349,353,367,369,370,371,382,388,397,426,456,461,474,508,515,549,582,614,621,626,640,656,683,705,727,736,748,778,827,831,850,854,858,878,882,912,918,928,948,968,980 +0419_00045 4,6,20,44,94,101,134,140,192,201,220,244,328,330,341,347,367,369,377,456,508,515,549,566,626,640,700,705,727,778,948,968,988,993 +0419_00046 15,16,17,134,146,164,220,245,267,353,367,408,426,438,460,461,508,515,529,538,542,619,626,640,661,676,683,748,750,759,773,827,850,906,914,918,935,947,948,968,993 +0419_00047 6,17,20,22,45,62,94,101,134,153,241,283,289,339,353,365,456,508,515,626,636,637,640,676,679,719,727,778,786,789,826,896,910,947,948,951,968,994 +0419_00048 6,20,62,66,79,90,94,101,128,134,153,225,260,283,330,347,353,365,425,456,505,508,515,549,626,637,640,719,727,778,786,815,910,948,951,952,968,994,1002 +0419_00049 21,26,27,29,48,89,105,123,134,165,223,245,260,269,309,352,382,451,461,498,499,508,523,534,541,550,562,576,584,626,634,653,682,719,742,775,778,780,808,829,919,936,938,948,949,964,1003,1009,1024 +0419_00050 6,15,20,42,47,54,79,94,101,111,134,159,167,180,201,220,234,245,296,314,330,340,353,367,371,382,416,426,446,456,460,461,508,514,515,626,640,656,683,699,726,727,748,768,778,802,861,878,882,914,948,951,968,990 +0419_00051 6,17,20,54,70,94,101,128,134,140,151,171,193,201,220,225,260,339,347,353,367,380,434,456,465,494,508,515,520,542,619,626,640,641,676,727,754,869,882,887,907,947,948,951,968 +0419_00052 42,61,86,89,111,129,134,148,165,167,172,176,220,221,245,248,252,261,264,278,287,328,330,349,353,367,370,371,382,426,446,461,492,508,515,519,534,590,599,621,626,640,642,646,656,683,713,736,748,783,808,850,854,858,878,879,882,889,936,941,948,968 +0419_00053 107,113,123,128,134,153,243,245,252,258,260,270,326,347,353,363,408,412,418,420,425,505,508,515,549,590,601,626,628,640,650,654,661,683,761,774,778,780,809,827,904,948,951,953,968 +0419_00054 15,20,101,111,134,138,140,151,160,201,220,300,328,330,345,347,353,367,383,396,462,491,506,508,515,549,583,626,640,727,840,948,968,988 +0419_00055 1,2,20,42,43,52,68,89,97,130,134,153,168,177,187,189,197,200,208,220,245,263,296,318,330,347,348,353,361,389,397,409,442,461,467,493,499,503,508,513,515,517,544,555,570,578,624,626,640,661,662,683,700,705,712,718,719,727,748,760,762,823,830,855,880,886,899,917,936,948,968,974,982,989,1012 +0419_00056 15,20,89,101,111,115,134,140,151,220,221,237,264,278,300,328,330,337,345,347,349,353,367,425,506,508,515,549,583,603,626,640,727,840,850,948,968,1004 +0419_00057 6,20,42,44,47,67,86,92,94,101,111,134,148,153,154,167,201,205,220,221,227,245,252,261,264,278,326,328,330,349,353,367,370,371,382,403,420,426,432,456,461,508,515,613,616,621,626,640,656,683,727,736,746,748,821,850,854,858,878,882,896,948,968 +0419_00058 6,17,20,50,54,70,94,101,120,128,134,140,151,193,201,220,225,260,330,339,347,353,367,380,414,446,456,465,494,508,515,520,542,586,626,640,641,676,714,727,740,744,754,762,828,869,882,887,907,927,937,942,947,948,951,968,986,992,1002 +0419_00059 6,20,42,47,67,86,94,101,111,134,136,159,172,180,201,220,245,296,328,330,331,353,367,371,382,426,456,460,461,508,515,590,610,616,626,640,656,662,683,696,699,727,748,854,858,878,882,913,914,948,968,988,990 +0419_00060 4,6,15,20,39,42,44,94,100,101,113,131,134,140,151,193,219,220,242,263,284,288,300,307,330,345,347,367,438,441,456,461,508,515,527,531,549,582,602,626,658,664,683,705,727,742,748,760,778,788,813,840,921,948,968 +0419_00061 6,15,49,54,89,117,118,121,122,134,145,217,218,237,245,260,261,318,334,349,417,452,461,472,473,488,508,534,536,568,584,599,626,688,719,721,726,763,772,788,808,813,836,936,948,952,968 +0419_00062 4,6,15,20,44,76,94,101,111,115,134,140,151,164,166,194,220,221,264,278,313,328,330,337,347,349,353,367,418,451,456,465,494,508,515,520,527,545,549,557,626,640,646,700,705,715,727,744,778,780,828,850,948,954,968,997,998,1004 +0419_00063 96,134,145,213,245,249,326,335,421,458,487,508,535,550,626,640,674,681,787,820,827,833,850,870,968,987 +0419_00064 20,51,94,107,123,128,134,169,170,176,211,245,252,258,260,347,353,363,408,412,418,425,456,458,480,505,508,515,549,626,628,640,650,654,661,683,727,778,780,827,853,897,904,948,951,968,1022 +0419_00065 4,6,15,20,44,76,93,94,101,134,140,151,158,166,201,220,244,328,330,337,347,367,377,383,418,427,430,456,494,508,515,520,527,549,557,566,592,626,640,646,700,705,715,727,778,779,948,968,988 +0419_00066 4,6,15,20,44,67,76,94,101,134,140,151,166,208,220,221,264,278,328,330,337,347,349,367,413,418,456,463,494,508,515,520,527,545,549,557,575,603,626,640,646,700,705,714,715,727,744,778,780,812,828,850,930,945,948,968 +0419_00067 6,20,26,38,45,62,87,94,95,101,128,134,153,160,206,207,208,245,260,283,286,289,293,302,316,343,347,353,359,381,425,456,461,470,473,505,508,515,549,586,591,599,602,625,626,640,656,677,683,693,705,714,718,727,744,746,766,775,778,786,815,822,826,829,855,922,927,941,945,948,951,963,968,986,994,1017 +0419_00068 2,20,21,26,35,43,45,48,57,89,112,123,134,179,221,223,235,245,249,252,256,260,347,417,451,461,467,471,498,499,508,523,534,553,562,574,584,628,631,682,727,740,762,780,822,829,840,886,900,906,948,949,982,992,1009 +0419_00069 1,20,42,43,52,54,89,97,130,134,153,187,189,197,200,220,245,296,318,325,330,347,353,389,397,409,442,461,467,493,499,503,508,513,515,517,544,555,570,578,624,626,628,640,661,662,683,705,712,718,727,748,760,762,800,823,825,830,835,855,880,886,899,906,917,929,948,968,974,982,989,1002,1012 +0419_00070 6,20,42,47,52,67,86,92,94,101,111,134,138,148,153,167,201,205,220,221,227,245,252,261,264,277,278,279,328,330,333,347,349,353,367,370,371,382,391,423,426,456,461,508,515,549,616,621,626,640,656,683,725,727,736,746,748,821,850,854,858,878,882,896,948,968 +0419_00071 21,28,36,107,123,128,134,245,252,258,260,278,347,349,353,363,408,412,418,425,441,505,508,515,517,549,553,620,626,628,640,650,654,661,683,699,778,780,825,827,850,904,948,951,968 +0419_00072 15,20,26,41,43,44,87,88,89,107,109,116,124,134,219,220,245,260,271,286,289,300,306,326,328,343,347,360,410,422,440,455,461,482,508,537,540,546,547,548,549,550,554,557,626,637,640,650,654,683,716,727,741,769,780,785,799,801,811,827,838,885,913,919,930,936,948,963,968,1001,1016 +0419_00073 6,20,54,70,77,90,94,101,128,134,140,151,171,193,220,225,260,347,353,367,414,425,434,456,465,494,505,508,515,520,549,619,626,640,727,754,778,869,882,887,893,907,948,951,968 +0419_00074 4,6,17,20,62,70,72,73,94,101,128,134,151,153,205,223,241,260,281,283,284,330,332,339,347,353,366,422,456,494,497,508,515,520,521,522,527,530,549,571,577,591,609,626,636,640,676,695,705,719,727,738,754,778,780,826,862,865,887,947,948,951,962,968,972,994 +0419_00075 6,7,20,42,47,67,86,92,94,98,101,104,111,134,138,148,153,167,177,201,202,205,220,221,227,245,252,261,264,265,277,278,328,330,347,349,353,367,370,371,382,426,456,461,469,508,515,538,544,551,570,616,621,626,640,656,657,683,725,727,736,737,746,748,794,807,821,850,854,858,878,882,896,948,968 +0419_00076 1,17,34,45,62,134,153,158,181,182,245,283,289,353,371,456,461,508,513,515,529,566,601,626,635,640,656,661,676,683,710,722,748,778,779,786,804,815,826,884,927,946,947,948,967,968,979,989,994 +0419_00077 9,20,29,74,75,96,134,138,145,150,153,203,207,215,241,243,254,292,297,298,320,326,347,374,376,393,415,421,487,490,508,516,544,550,603,654,690,727,739,802,863,869,897,898,914,948,968,975,984,988,994 +0419_00078 4,6,17,20,54,70,94,98,101,128,134,140,151,165,171,193,220,225,260,347,353,367,414,434,446,456,465,494,508,515,520,527,542,549,619,626,640,641,676,702,705,727,728,754,778,869,882,887,907,948,949,951,968,976 +0419_00079 6,20,45,62,66,90,94,101,128,134,153,225,260,283,330,347,353,365,425,456,505,508,515,549,602,626,637,640,719,727,778,786,789,815,826,896,910,948,951,968,994 +0419_00080 4,6,17,20,54,70,94,101,128,134,140,151,165,171,193,201,220,225,260,309,339,347,353,367,380,434,456,465,472,494,508,515,520,527,542,549,571,591,593,619,626,640,641,676,705,727,754,778,869,882,887,907,947,948,951,968,976 +0419_00081 4,6,15,20,42,44,47,54,79,94,101,134,159,167,220,234,245,274,296,314,330,340,347,353,367,369,371,382,397,416,426,446,456,461,508,514,515,549,626,640,656,683,705,726,727,748,768,778,802,861,862,882,926,948,951,968,977,1013 +0419_00082 4,19,20,90,95,96,107,134,138,145,151,153,159,188,203,207,219,236,241,254,292,297,298,322,347,374,394,415,421,473,487,508,516,521,544,550,609,656,689,727,739,757,758,775,777,802,868,897,898,912,917,923,948,957,961,968,978,994 +0419_00083 6,20,21,42,47,67,86,92,94,101,111,134,138,148,153,167,201,202,205,220,221,227,245,252,261,264,277,278,328,330,347,349,353,367,370,371,382,426,456,461,475,480,485,508,515,530,544,545,616,621,626,640,656,657,683,699,725,727,736,746,748,752,821,839,850,854,858,878,882,896,948,968,993,1019 +0419_00084 15,17,115,134,146,164,198,220,245,267,280,283,353,367,406,408,426,438,460,461,508,515,538,542,603,619,626,640,661,676,683,686,748,759,814,827,850,906,914,918,935,948,968,993 +0419_00085 4,6,10,15,20,44,93,94,101,134,140,151,158,201,220,221,242,244,264,278,328,330,337,347,349,367,377,383,427,430,456,494,495,508,515,520,549,566,592,603,606,626,640,700,705,712,720,727,778,779,850,948,968,988,1012 +0419_00086 15,19,20,62,89,92,110,134,153,165,178,195,207,208,245,260,280,299,345,347,356,372,380,461,497,502,508,525,534,578,590,601,626,694,719,727,731,733,762,780,791,802,816,859,886,906,925,936,948,964,978,982 +0419_00087 4,6,10,15,20,44,67,94,101,134,140,151,208,220,221,242,264,278,328,330,337,347,349,367,413,456,463,494,495,508,515,520,545,549,575,603,606,626,640,705,712,714,720,727,744,778,780,812,828,850,930,945,948,968,1012 +0419_00088 36,44,71,95,123,134,164,207,220,222,245,258,272,280,283,329,353,406,408,412,418,487,508,515,550,552,626,640,650,654,661,667,683,686,719,781,799,814,827,837,873,948,968 +0419_00089 6,17,20,54,70,94,101,128,134,140,151,171,193,201,220,225,260,339,347,353,367,380,414,434,456,465,494,508,515,520,542,619,626,640,641,676,727,754,869,882,887,907,947,948,951,968 +0419_00090 20,54,58,89,94,134,153,207,211,225,231,240,245,268,283,297,366,369,390,399,442,461,508,534,547,556,564,593,626,656,662,676,677,723,727,744,748,778,802,807,850,852,895,910,936,946,948,1008,1018 +0419_00091 4,6,17,19,20,22,45,62,94,101,134,151,153,181,225,241,283,328,347,353,365,456,486,494,501,508,515,520,527,535,549,591,626,640,657,676,685,702,705,719,727,728,744,772,778,786,789,792,818,826,828,855,892,896,927,932,948,949,968,971,994 +0419_00092 4,6,15,20,44,70,94,101,109,128,134,140,151,171,192,193,201,220,260,328,330,337,341,347,353,367,369,434,456,465,494,508,515,520,543,549,619,626,640,705,727,754,778,797,869,882,887,948,951,968,988,993 +0419_00093 12,46,80,122,134,207,220,222,245,258,270,280,314,329,353,406,408,412,418,508,515,572,586,597,626,640,654,661,683,686,735,814,827,837,880,917,948,968,993 +0419_00094 12,17,46,57,80,85,111,119,122,134,207,220,222,245,258,270,280,329,353,354,366,367,387,406,408,412,418,421,426,429,508,515,529,572,586,597,626,640,654,661,676,683,686,703,735,796,811,814,827,837,850,880,917,947,948,968,993 +0419_00095 4,6,17,20,22,45,62,70,94,101,134,151,153,181,241,260,281,283,330,347,365,366,456,494,508,515,520,527,549,571,591,609,626,640,676,687,702,705,719,722,727,728,731,754,778,786,789,792,818,826,855,887,896,948,968,990,994 +0419_00096 4,20,133,134,138,153,162,187,207,231,270,284,328,342,347,349,387,391,404,408,438,508,515,544,549,620,626,636,640,705,706,715,727,778,786,833,856,914,919,948,968 +0419_00097 6,15,20,32,42,45,62,79,94,101,102,134,153,167,173,220,223,245,283,328,332,336,353,359,371,422,433,456,458,461,485,497,503,508,515,522,530,543,577,579,593,625,626,640,656,683,695,719,727,746,748,752,769,775,778,786,802,826,861,862,882,890,897,932,948,951,962,968,994 +0419_00098 20,55,96,134,145,159,178,217,223,245,260,298,300,320,326,335,347,355,367,395,421,436,461,474,481,487,491,497,505,508,535,540,549,550,560,576,577,625,626,627,640,656,666,678,681,727,748,778,789,812,897,898,936,948,968,974,980 +0419_00099 4,20,33,36,72,89,94,134,153,245,256,260,272,292,298,417,444,461,466,497,508,526,530,534,547,556,598,626,650,662,675,677,679,727,729,743,762,778,800,805,830,863,906,910,918,948,1008 +0419_00100 4,20,21,44,52,82,101,134,151,191,215,220,221,264,278,285,328,330,331,347,349,360,367,369,413,421,444,494,508,515,520,549,603,613,626,634,640,656,669,702,705,717,727,732,744,752,778,792,828,850,948,968,1002,1014 +0419_00101 6,15,20,66,79,89,94,101,111,115,120,134,140,151,153,201,220,221,237,264,278,328,330,337,347,349,353,367,383,390,400,456,459,491,506,508,515,544,592,603,617,626,634,640,655,659,685,703,719,725,727,791,850,932,948,968,988,1004 +0419_00102 6,17,20,45,62,70,72,73,94,101,128,134,151,153,205,223,241,260,283,284,330,332,339,347,353,365,422,456,494,497,508,515,520,522,530,577,602,626,636,637,640,676,695,719,727,754,778,786,789,815,826,862,865,869,887,896,910,947,948,951,962,968,972,990,994,1022 +0419_00103 4,20,31,55,58,68,96,134,145,159,178,181,185,211,223,245,249,265,269,280,300,320,326,335,347,367,408,411,421,436,461,474,487,491,497,508,535,540,549,550,576,626,640,656,681,687,705,727,748,778,789,824,833,858,899,948,949,968,974,987 +0419_00104 20,25,39,49,56,61,62,96,125,134,138,145,153,181,202,203,207,220,230,270,292,297,298,308,347,360,374,415,416,421,487,508,516,527,536,544,550,558,569,574,588,690,727,739,797,802,863,897,898,900,904,948,953,960,968,989,1004,1005 +0419_00105 4,6,19,20,45,62,94,101,102,134,151,153,225,260,264,283,328,330,347,353,365,425,456,486,494,501,505,508,515,520,527,535,549,591,626,640,657,677,685,705,713,719,727,744,772,778,786,789,826,828,855,892,896,927,932,948,949,952,968,971,994,1002 +0419_00106 15,20,26,39,42,44,93,101,126,134,175,199,216,220,245,328,330,347,359,366,413,418,435,458,461,463,499,500,507,508,509,512,532,542,545,549,562,590,626,632,640,683,699,700,722,724,727,741,745,762,791,907,948,963,964,973,988 +0419_00107 20,66,72,89,94,123,134,153,245,256,260,272,378,417,442,461,466,497,508,526,528,530,534,545,547,556,626,650,662,667,675,677,723,727,729,743,762,778,832,852,860,906,910,918,948,1008 +0419_00108 9,20,33,72,89,94,134,153,168,220,245,291,332,403,417,456,461,466,469,497,508,530,534,547,556,616,626,633,650,656,662,675,678,719,727,762,778,780,799,805,812,889,910,918,948,995,1008 +0419_00109 6,20,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,283,284,330,347,353,425,456,494,505,508,515,520,522,530,549,580,611,626,637,640,695,719,727,754,778,780,796,815,853,865,869,887,915,948,951,968,972,994,1022 +0419_00110 9,14,20,33,89,94,119,134,153,168,183,207,220,225,231,245,291,303,326,332,384,399,403,456,461,469,508,534,547,556,576,616,625,626,633,656,662,678,719,727,773,778,780,799,802,805,812,889,910,948,995,1008 +0419_00111 15,128,134,164,220,245,259,260,267,316,335,347,353,367,408,425,426,438,442,461,465,488,505,508,513,515,538,549,594,619,626,640,661,683,746,748,778,827,906,914,918,948,951,968 +0419_00112 15,20,22,62,65,89,94,134,153,191,195,225,245,247,260,283,287,403,437,461,496,497,508,534,547,556,608,626,636,644,662,677,700,727,755,778,781,826,837,858,906,910,948,964,994,1008,1012 +0419_00113 4,6,15,20,32,42,45,62,79,94,101,134,153,167,179,215,220,223,245,283,328,332,336,347,353,359,362,371,422,433,456,458,461,485,497,503,508,515,522,530,543,549,579,593,625,626,640,656,665,683,690,695,705,719,727,746,748,769,775,778,786,802,826,856,861,862,882,890,897,902,948,951,962,968,994,998 +0419_00114 15,16,20,28,40,89,134,168,174,234,245,260,328,347,360,366,407,413,446,451,461,476,508,513,520,534,540,549,570,593,619,626,640,656,662,674,683,714,727,737,744,750,757,762,778,789,827,834,845,875,880,886,887,890,892,899,948,965,968,976,984,992 +0419_00115 6,20,94,101,111,115,134,140,151,220,221,237,264,278,328,330,337,349,353,367,456,508,515,519,566,603,626,640,666,727,850,948,968,1004 +0419_00116 15,17,20,26,42,44,101,126,127,134,175,199,216,220,245,328,330,347,356,359,413,418,435,458,461,499,500,508,509,512,545,549,562,626,632,640,683,699,700,709,719,724,727,739,741,745,762,765,778,791,803,868,895,948,963,973,988 +0419_00117 4,20,54,58,72,89,94,134,153,194,245,292,369,390,417,461,466,497,508,530,534,547,556,593,626,642,650,656,662,666,675,677,679,686,727,762,766,778,823,836,850,895,910,918,948,1008,1018 +0419_00118 6,20,24,34,38,45,62,94,101,128,130,134,143,153,158,223,245,260,283,291,293,332,341,347,353,355,361,371,422,425,456,461,468,497,504,505,506,508,513,515,522,530,540,549,566,586,591,601,625,626,635,640,646,651,656,677,683,695,705,722,727,744,746,748,766,776,778,779,786,804,815,826,862,922,927,932,941,946,948,951,967,968,979,986,994,1017 +0419_00119 6,15,20,45,62,64,68,79,94,101,123,134,153,167,211,223,253,260,267,283,286,316,330,347,353,359,425,438,456,461,505,508,513,515,528,549,574,610,619,625,626,640,645,683,719,724,727,733,746,748,775,778,786,810,826,897,931,948,951,968,994,1002 +0419_00120 20,54,58,72,89,94,119,134,153,245,271,297,417,427,442,461,466,476,497,498,508,530,534,545,547,555,556,593,614,626,650,656,662,675,677,723,727,762,778,779,852,910,918,948,960,995,1008,1018 +0419_00121 4,6,20,44,82,93,94,101,134,140,151,158,192,201,220,244,272,328,330,331,347,357,367,369,377,383,386,427,430,437,456,491,494,508,515,520,549,566,592,612,626,640,700,705,727,744,778,779,948,968,988 +0419_00122 4,6,20,45,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,281,283,284,330,332,347,353,365,366,422,425,456,494,497,505,508,515,520,522,527,530,549,571,591,609,626,640,695,705,719,722,727,731,754,778,786,789,826,862,865,887,896,948,951,962,968,972,990,994 +0419_00123 20,37,52,54,58,72,89,94,134,153,245,353,394,417,434,461,466,497,498,508,530,534,545,547,556,593,607,614,626,636,650,656,662,674,675,677,698,727,762,778,791,866,910,918,925,948,1008,1018 +0419_00124 1,16,20,62,66,72,90,96,101,128,134,151,152,153,225,260,263,283,300,328,330,345,347,353,365,425,486,494,501,505,508,515,520,535,549,588,626,640,651,719,727,744,778,786,787,828,840,892,927,932,948,951,952,968,971,994,1002 +0419_00125 6,15,17,20,32,42,45,62,79,94,101,112,134,153,167,191,220,223,233,241,245,263,283,301,303,332,353,359,371,422,438,456,458,461,497,508,515,522,530,543,579,593,625,626,628,640,656,672,676,683,695,719,727,746,748,759,775,778,786,802,826,861,862,889,890,897,904,935,948,951,962,968,994 +0419_00126 10,15,20,44,89,93,101,111,115,134,140,151,158,201,220,221,237,264,278,300,328,330,337,345,347,349,353,367,383,427,430,462,494,506,508,515,520,549,583,592,603,626,640,705,727,779,797,840,850,948,968,988,1004 +0419_00127 4,6,15,20,44,93,94,101,109,134,140,151,158,192,201,220,244,328,330,337,341,347,367,369,377,383,427,430,456,494,508,515,520,549,566,592,626,640,700,705,727,778,779,797,948,968,988,993 +0419_00128 6,15,20,26,79,89,94,101,111,115,120,134,140,151,153,173,220,221,237,264,278,328,330,337,347,349,353,367,390,456,491,506,508,515,544,592,603,617,626,634,640,655,659,685,703,719,725,727,850,884,932,948,968,1004 +0419_00129 20,39,49,55,56,61,89,94,96,107,134,145,153,178,207,245,249,251,255,270,298,320,326,335,395,421,436,461,474,487,488,491,497,508,516,527,535,540,550,568,576,607,625,626,637,640,652,655,656,681,687,727,739,748,789,802,833,887,897,898,948,954,968,974,987 +0419_00130 6,20,42,47,67,86,92,94,99,101,111,134,138,148,153,167,201,205,220,221,227,245,252,261,264,265,277,278,328,330,347,349,353,367,370,371,382,426,456,461,505,508,515,574,616,621,626,640,656,683,725,727,733,736,746,748,776,821,850,854,858,878,882,896,904,948,968,994 +0419_00131 20,55,56,62,89,94,96,102,107,134,145,153,178,207,230,245,249,251,270,298,320,326,335,395,408,421,436,461,474,487,488,491,497,508,516,535,540,550,558,568,576,588,607,625,626,637,640,655,656,681,687,727,731,739,748,789,820,833,887,897,898,950,968,974,987,989,992 +0419_00132 17,20,23,26,29,42,90,94,101,124,125,134,154,197,220,245,328,330,396,418,445,458,461,476,480,499,505,508,512,513,602,626,640,698,699,719,727,745,748,762,765,778,793,803,815,836,853,894,921,930,948,968,988,998,1024 +0419_00133 6,17,20,22,45,62,70,72,94,101,116,128,134,151,153,241,260,283,330,339,347,353,365,456,494,508,515,520,577,602,626,636,637,640,676,719,727,754,778,786,787,789,815,826,869,887,896,910,947,948,951,968,990,994,1022 +0419_00134 6,20,45,55,62,66,70,72,90,94,96,101,104,128,134,151,153,223,260,283,284,330,347,353,365,425,456,494,505,508,515,520,522,530,549,580,602,626,637,640,695,719,727,754,778,786,789,796,815,826,865,869,887,896,910,915,948,951,968,972,990,994,1022 +0419_00135 6,20,42,47,67,86,92,94,101,111,134,138,148,153,167,201,202,205,220,221,227,245,252,261,264,277,278,320,328,330,347,349,353,367,370,371,382,426,456,461,508,515,544,616,621,626,640,656,657,683,725,727,736,746,748,762,821,850,854,858,878,882,886,896,948,964,968,989 +0419_00136 6,15,20,45,62,66,68,70,72,90,94,96,101,127,128,134,151,153,225,260,283,294,330,347,353,365,425,456,467,494,497,505,508,515,520,530,549,602,626,637,640,719,727,754,778,786,787,789,792,815,824,826,869,887,896,897,910,948,951,968,990,994,1022 +0419_00137 6,20,62,66,70,72,79,90,94,96,101,128,134,151,153,225,260,283,330,347,353,365,425,456,494,505,508,515,520,549,588,626,637,640,719,727,754,778,786,787,815,869,887,910,948,951,952,968,990,994,1002,1022 +0419_00138 4,6,15,20,32,42,45,62,79,94,101,134,153,167,179,215,220,245,283,328,336,347,353,359,362,371,433,456,458,461,485,503,508,515,543,549,578,604,625,626,640,656,683,690,705,712,719,727,746,748,769,775,778,786,789,802,826,856,861,882,890,897,948,951,959,968,994,998 +0419_00139 15,17,115,134,146,220,267,280,343,353,367,406,426,438,460,461,515,542,603,619,626,640,660,661,676,683,684,686,701,748,759,800,814,850,885,935,948,968,998,1022 +0419_00140 4,20,23,26,42,93,101,124,125,134,154,197,207,220,245,264,328,330,418,448,458,461,463,464,476,499,507,508,512,513,590,602,611,626,640,699,722,727,745,748,762,772,793,815,853,907,921,930,948,968,988,998,1024 +0419_00141 20,62,94,107,153,207,225,231,273,283,319,376,399,420,508,539,556,571,606,620,626,641,662,727,755,763,778,781,802,826,844,948,994 +0419_00142 20,62,64,89,94,134,153,245,256,260,272,283,353,359,385,394,418,461,508,526,534,547,556,599,626,655,661,662,663,677,727,729,743,755,778,781,786,791,826,906,910,948,994,1008 +0419_00143 20,62,94,107,110,134,153,207,225,231,283,376,399,433,450,460,480,508,511,534,556,626,662,669,688,727,755,762,763,778,781,822,826,833,894,948,994 +0419_00144 6,20,45,62,66,70,72,79,90,93,94,96,101,128,134,151,153,225,260,283,330,347,353,365,425,456,494,505,508,515,520,549,626,637,640,719,727,754,778,786,787,789,815,826,869,887,896,910,948,951,952,968,990,994,1002,1022 +0419_00145 6,12,15,20,26,45,62,94,101,106,132,134,138,144,146,153,163,167,201,234,245,248,270,279,283,342,347,353,359,370,375,377,392,412,456,461,508,512,513,515,521,549,584,625,626,640,643,647,711,719,727,729,746,748,775,778,786,826,838,892,897,901,934,939,948,951,968,994 +0419_00146 20,55,96,134,145,159,178,217,223,245,249,298,300,320,326,335,347,355,367,395,421,436,461,474,487,491,497,508,535,540,549,550,576,577,625,626,640,656,678,681,687,727,748,789,833,897,898,948,968,974,987 +0419_00147 4,6,20,45,62,70,94,101,102,134,151,153,224,225,260,264,281,283,330,347,365,366,425,456,494,505,508,515,520,527,549,571,591,609,626,677,687,705,719,722,727,731,754,778,786,789,826,855,887,896,948,968,990,994 +0419_00148 6,15,17,20,42,62,79,94,101,134,153,167,186,191,223,233,241,245,263,283,301,303,332,353,361,371,422,438,456,461,468,497,508,515,522,530,579,593,625,626,628,640,656,672,676,683,695,719,722,727,746,748,759,778,802,826,861,862,889,890,897,904,921,935,948,951,962,966,968,993,994 +0419_00149 4,56,96,134,145,245,249,335,421,447,461,487,492,508,535,550,576,656,670,676,681,748,798,803,833,941,968,987 +0419_00150 20,55,56,60,62,89,96,133,134,145,153,178,207,230,245,249,251,266,270,298,300,320,326,335,347,395,421,436,461,474,487,488,491,497,508,516,520,535,540,546,549,550,558,568,576,588,607,625,626,637,640,656,681,687,727,731,739,748,751,789,820,833,863,887,897,898,948,968,974,983,987,989 +0419_00151 15,49,70,82,85,95,96,134,145,150,152,227,245,249,272,326,335,421,431,461,487,491,501,508,535,539,550,576,585,626,640,654,656,681,687,714,723,728,746,748,750,798,833,835,861,941,943,953,968,987 +0419_00152 20,54,70,77,90,101,128,134,140,151,193,220,225,260,300,345,347,353,367,405,414,425,465,494,505,508,515,520,549,626,640,727,754,778,795,840,869,882,887,893,907,948,951,968 +0419_00153 20,39,49,55,56,60,61,89,96,134,145,153,178,207,234,245,249,251,266,270,298,300,320,326,335,347,360,395,416,421,436,461,474,487,488,491,497,505,508,516,527,535,540,549,550,568,576,607,625,626,637,640,656,681,687,727,739,748,755,789,802,833,863,887,897,898,948,968,974,987 +0419_00154 4,20,39,42,59,94,103,107,153,162,177,188,207,226,253,254,262,319,324,347,390,414,476,485,490,497,508,532,538,593,606,626,644,657,715,727,773,800,802,863,941,948,961,989,994 +0419_00155 4,6,20,62,66,72,90,94,96,101,128,134,151,153,179,225,260,283,328,330,347,353,365,425,454,456,485,494,501,505,508,515,520,549,551,569,588,620,626,640,685,705,719,727,744,778,786,787,828,929,948,949,951,952,968,994,1002 +0419_00156 20,21,42,101,134,151,195,217,220,221,231,264,278,300,328,330,345,347,349,354,378,413,421,440,476,494,508,520,549,574,603,626,634,640,679,717,727,744,828,840,850,865,913,917,922,923,948,988,1002 +0419_00157 4,20,54,58,62,85,89,94,129,134,153,245,283,292,359,459,461,508,528,534,547,556,557,569,593,626,656,662,666,677,679,709,727,755,778,781,819,826,888,910,948,994,1008,1018 +0419_00158 5,15,20,26,27,32,35,56,60,80,89,94,103,116,123,134,155,184,193,213,222,224,230,246,250,260,274,285,297,311,351,401,419,430,432,458,463,473,480,481,482,499,502,508,552,556,567,570,585,586,597,626,651,656,682,696,699,700,712,727,747,752,772,780,812,855,916,918,928,936,948,964,968 +0419_00159 20,64,67,89,94,122,134,144,153,245,256,260,268,272,310,353,385,394,451,461,508,526,534,547,556,626,661,662,663,670,677,718,727,729,743,778,784,786,791,794,906,908,910,948,977,999,1008 +0419_00160 20,60,62,94,107,134,153,179,207,225,231,277,283,300,347,399,456,480,508,511,534,535,549,556,626,632,662,727,755,762,778,781,822,826,833,863,893,932,948,994,1010 +0419_00161 20,62,89,94,134,139,153,245,260,272,283,287,427,442,461,479,508,528,534,545,547,556,614,626,656,662,677,700,703,723,727,729,755,772,778,781,826,832,852,906,910,948,994,1008 diff --git a/processed_data/0419/0419_fingerprints_maccs_canonical_success.tsv b/processed_data/0419/0419_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..f20efc048 --- /dev/null +++ b/processed_data/0419/0419_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,162 @@ +id bits.on +0419_00001 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00002 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00003 45,53,54,66,72,76,82,89,90,91,93,95,97,99,104,108,109,111,112,126,127,128,131,132,133,138,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00004 45,53,54,66,72,76,82,84,89,90,91,92,93,95,97,99,104,108,109,110,111,112,117,126,127,128,129,131,132,133,136,138,139,140,142,143,146,147,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00005 99,123,131,136,139,140,146,154,157,159,164 +0419_00006 45,53,54,66,72,76,82,89,90,91,93,95,97,99,104,108,109,111,112,123,126,127,128,129,131,132,133,136,138,139,140,143,146,147,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00007 89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00008 53,89,113,127,131,139,143,144,149,150,152,157,159,160,162,163,164,165 +0419_00009 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00010 53,89,113,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00011 53,57,72,76,89,98,99,105,113,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0419_00012 57,83,89,91,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,153,154,157,159,160,162,163,164,165 +0419_00013 53,89,91,113,114,115,127,131,139,143,147,152,155,157,159,160,162,163,164,165 +0419_00014 53,89,113,123,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00015 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00016 53,57,83,89,96,105,113,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00017 57,72,76,89,93,98,99,105,113,125,126,127,136,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00018 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00019 19,53,57,72,82,83,89,90,93,96,105,109,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00020 53,89,91,113,114,115,123,127,131,139,140,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0419_00021 53,54,57,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00022 53,57,72,76,89,93,98,99,105,113,123,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00023 53,57,72,76,83,89,93,96,99,105,113,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00024 53,89,113,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00025 57,72,76,89,90,91,93,98,99,105,113,115,123,126,127,131,132,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00026 53,54,57,72,83,89,93,96,105,113,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00027 19,53,57,72,82,83,89,90,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00028 57,89,93,98,105,113,125,126,127,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00029 53,54,72,82,89,90,91,104,109,113,123,125,126,127,129,131,132,136,138,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00030 53,57,89,98,105,113,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00031 54,57,72,83,89,96,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0419_00032 19,57,72,83,89,91,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,152,153,154,157,159,160,162,163,164,165 +0419_00033 53,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00034 53,57,89,98,105,113,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00035 53,54,72,89,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00036 54,57,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00037 57,83,89,91,96,105,109,113,120,123,125,127,131,137,139,140,143,144,145,146,152,153,154,157,159,160,162,163,164,165 +0419_00038 89,93,105,113,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00039 53,82,89,91,105,109,113,125,127,131,136,139,140,143,144,145,146,152,153,154,155,157,159,162,163,164,165 +0419_00040 19,57,72,83,89,93,96,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00041 50,57,76,89,90,93,98,99,104,105,108,109,113,115,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00042 53,89,105,113,123,125,127,131,136,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0419_00043 62,79,80,83,85,90,91,92,95,96,97,100,104,105,110,111,117,118,120,121,122,125,127,128,129,131,132,136,137,138,140,142,143,145,146,147,148,151,153,154,156,158,159,161,162,163,164,165 +0419_00044 19,57,72,89,93,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00045 53,89,93,113,123,126,127,131,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00046 53,57,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0419_00047 53,89,91,108,113,114,115,116,118,123,127,129,131,139,140,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0419_00048 53,89,91,93,113,114,115,123,126,127,131,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00049 57,66,89,98,105,112,120,123,127,136,137,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0419_00050 19,53,57,72,89,105,113,120,123,125,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00051 53,89,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00052 19,57,72,83,89,96,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00053 82,89,91,93,105,109,113,125,126,127,131,136,139,140,143,144,145,146,152,153,154,155,157,159,160,162,163,164,165 +0419_00054 53,89,93,113,123,126,127,131,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00055 57,72,89,90,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00056 53,89,93,113,123,126,127,131,136,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00057 19,53,57,72,82,89,90,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00058 53,72,89,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00059 19,53,57,72,89,105,113,120,123,125,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00060 57,83,89,93,96,105,113,123,125,126,127,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00061 53,54,57,72,89,90,91,99,104,108,115,116,118,123,127,128,129,131,132,137,139,140,143,146,147,150,152,154,157,159,160,164,165 +0419_00062 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00063 50,62,72,76,89,99,125,127,131,136,139,140,143,145,146,150,152,154,157,159,162,163,164,165 +0419_00064 89,93,105,113,123,125,126,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00065 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00066 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00067 53,57,72,83,89,90,91,93,96,104,105,108,112,113,114,115,116,118,123,125,126,127,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00068 57,66,89,98,105,112,120,123,126,127,136,137,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0419_00069 57,72,89,98,105,109,113,116,120,123,125,126,127,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00070 19,53,57,72,86,89,90,93,105,109,113,115,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00071 89,93,105,113,125,126,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00072 26,50,53,57,62,66,72,76,89,90,91,93,98,99,105,112,113,115,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00073 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00074 53,89,91,93,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00075 19,53,57,72,89,90,99,105,109,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00076 53,57,89,98,105,108,113,114,115,116,118,123,125,127,129,131,132,137,139,140,143,145,146,147,152,154,155,157,159,160,162,163,164,165 +0419_00077 74,90,91,92,95,104,109,110,111,114,115,116,117,123,125,126,131,136,140,141,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00078 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00079 53,89,91,93,108,113,114,115,116,118,123,126,127,129,131,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00080 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00081 19,53,57,72,89,93,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00082 54,74,79,90,91,92,95,104,109,110,111,114,115,116,117,123,125,126,131,136,140,141,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00083 19,53,57,72,89,90,104,105,109,113,120,123,125,126,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00084 57,89,98,105,113,125,127,131,137,139,140,143,145,146,149,152,154,157,159,160,162,163,164,165 +0419_00085 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00086 57,89,91,108,115,116,120,123,126,127,131,132,136,137,139,140,141,143,146,149,150,152,154,155,157,159,160,164,165 +0419_00087 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00088 89,105,113,125,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00089 53,89,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00090 34,50,57,76,83,89,90,91,96,99,104,108,115,116,118,123,127,128,129,131,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00091 53,72,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00092 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00093 53,62,89,105,113,125,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00094 53,62,89,105,113,125,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00095 89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00096 30,49,72,74,85,86,89,93,95,108,111,112,113,116,122,123,126,127,139,140,141,143,144,146,147,148,149,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00097 19,53,54,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00098 50,57,62,72,76,83,89,93,96,99,113,123,125,126,127,136,137,139,140,143,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00099 57,83,89,91,96,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00100 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00101 53,89,91,109,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00102 53,89,91,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00103 50,57,62,72,76,83,89,93,96,99,113,123,125,126,127,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00104 74,91,92,95,104,109,110,111,115,117,123,125,126,128,131,136,140,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00105 53,72,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00106 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,116,123,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00107 57,83,89,91,96,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00108 50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00109 53,89,91,93,108,113,114,115,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00110 50,57,76,82,83,89,90,91,96,99,108,109,115,116,118,123,127,128,129,131,132,136,137,139,140,143,146,147,149,150,152,153,154,155,157,159,160,164,165 +0419_00111 57,89,93,98,105,113,125,126,127,137,139,140,141,143,145,146,149,152,154,157,159,160,162,163,164,165 +0419_00112 57,90,98,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,163,164,165 +0419_00113 19,53,57,72,89,91,93,105,108,113,114,115,116,118,120,123,125,126,127,128,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00114 57,72,76,89,90,93,98,99,105,113,115,123,126,127,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00115 53,89,113,123,127,131,136,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00116 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,116,123,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00117 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00118 53,57,72,89,91,93,98,105,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00119 53,57,83,89,91,93,96,105,108,113,114,115,116,118,123,125,126,127,129,131,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00120 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00121 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00122 89,91,93,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00123 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00124 53,72,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00125 19,53,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00126 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00127 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00128 53,89,91,109,113,123,125,126,127,131,136,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00129 50,54,57,62,72,74,76,83,89,90,92,95,96,97,99,104,110,111,115,117,123,125,127,131,136,137,139,140,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00130 19,53,57,72,86,89,90,105,109,113,114,116,120,123,125,126,127,131,136,137,138,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00131 50,54,57,62,72,76,83,89,90,92,95,96,97,99,104,110,111,117,123,125,127,131,136,137,139,140,143,145,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0419_00132 26,50,53,57,66,76,83,89,96,99,105,112,113,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00133 53,89,91,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00134 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00135 19,53,57,72,89,90,105,109,113,116,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00136 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00137 53,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00138 19,53,57,72,89,91,93,105,108,113,114,115,116,118,120,123,125,126,127,129,131,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00139 57,83,89,96,105,113,125,127,131,137,139,143,145,146,149,152,157,159,160,162,163,164,165 +0419_00140 26,50,53,57,66,76,83,89,96,99,105,112,113,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00141 90,91,108,114,115,116,118,123,128,129,131,136,139,140,146,147,149,154,155,157,159,160,164 +0419_00142 57,83,89,91,96,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00143 90,91,104,108,114,115,116,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0419_00144 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00145 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,114,115,116,118,123,126,127,129,131,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00146 50,57,62,72,76,83,89,93,96,99,123,125,126,127,136,137,139,140,143,145,146,150,152,154,157,159,160,162,163,164,165 +0419_00147 89,91,93,108,113,114,115,116,118,123,125,126,127,129,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00148 19,53,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00149 26,50,57,62,72,76,83,89,96,99,101,105,120,123,125,127,136,137,140,143,145,146,150,152,154,157,159,162,163,164,165 +0419_00150 50,57,62,72,76,83,89,92,93,95,96,97,99,104,108,110,111,117,123,125,126,127,131,136,137,139,140,143,145,146,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00151 50,57,62,72,76,83,89,96,99,105,113,120,123,125,127,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0419_00152 89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00153 50,57,62,72,74,76,83,89,92,93,95,96,97,99,104,108,110,111,115,117,123,125,126,127,131,136,137,139,140,141,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00154 89,90,108,114,115,116,123,126,131,136,139,140,141,146,149,152,154,155,157,159,160,164 +0419_00155 53,72,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00156 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00157 34,50,57,76,83,89,91,96,99,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00158 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0419_00159 57,66,74,83,89,91,96,108,112,115,116,118,123,127,128,129,132,136,137,139,140,141,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00160 90,91,93,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,149,154,155,157,159,160,164 +0419_00161 57,83,89,91,96,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 diff --git a/processed_data/0419/0419_fingerprints_maccs_isomeric_success.tsv b/processed_data/0419/0419_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..f20efc048 --- /dev/null +++ b/processed_data/0419/0419_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,162 @@ +id bits.on +0419_00001 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00002 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00003 45,53,54,66,72,76,82,89,90,91,93,95,97,99,104,108,109,111,112,126,127,128,131,132,133,138,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00004 45,53,54,66,72,76,82,84,89,90,91,92,93,95,97,99,104,108,109,110,111,112,117,126,127,128,129,131,132,133,136,138,139,140,142,143,146,147,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00005 99,123,131,136,139,140,146,154,157,159,164 +0419_00006 45,53,54,66,72,76,82,89,90,91,93,95,97,99,104,108,109,111,112,123,126,127,128,129,131,132,133,136,138,139,140,143,146,147,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0419_00007 89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00008 53,89,113,127,131,139,143,144,149,150,152,157,159,160,162,163,164,165 +0419_00009 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00010 53,89,113,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00011 53,57,72,76,89,98,99,105,113,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0419_00012 57,83,89,91,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,153,154,157,159,160,162,163,164,165 +0419_00013 53,89,91,113,114,115,127,131,139,143,147,152,155,157,159,160,162,163,164,165 +0419_00014 53,89,113,123,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00015 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00016 53,57,83,89,96,105,113,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00017 57,72,76,89,93,98,99,105,113,125,126,127,136,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00018 53,54,72,82,89,90,91,104,109,129,131,132,138,139,140,146,152,153,155,157,159,164 +0419_00019 19,53,57,72,82,83,89,90,93,96,105,109,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00020 53,89,91,113,114,115,123,127,131,139,140,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0419_00021 53,54,57,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00022 53,57,72,76,89,93,98,99,105,113,123,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00023 53,57,72,76,83,89,93,96,99,105,113,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00024 53,89,113,127,131,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00025 57,72,76,89,90,91,93,98,99,105,113,115,123,126,127,131,132,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00026 53,54,57,72,83,89,93,96,105,113,126,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00027 19,53,57,72,82,83,89,90,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00028 57,89,93,98,105,113,125,126,127,137,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00029 53,54,72,82,89,90,91,104,109,113,123,125,126,127,129,131,132,136,138,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00030 53,57,89,98,105,113,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00031 54,57,72,83,89,96,105,113,120,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0419_00032 19,57,72,83,89,91,96,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,152,153,154,157,159,160,162,163,164,165 +0419_00033 53,89,93,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00034 53,57,89,98,105,113,125,127,131,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00035 53,54,72,89,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00036 54,57,72,89,90,91,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00037 57,83,89,91,96,105,109,113,120,123,125,127,131,137,139,140,143,144,145,146,152,153,154,157,159,160,162,163,164,165 +0419_00038 89,93,105,113,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00039 53,82,89,91,105,109,113,125,127,131,136,139,140,143,144,145,146,152,153,154,155,157,159,162,163,164,165 +0419_00040 19,57,72,83,89,93,96,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00041 50,57,76,89,90,93,98,99,104,105,108,109,113,115,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00042 53,89,105,113,123,125,127,131,136,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0419_00043 62,79,80,83,85,90,91,92,95,96,97,100,104,105,110,111,117,118,120,121,122,125,127,128,129,131,132,136,137,138,140,142,143,145,146,147,148,151,153,154,156,158,159,161,162,163,164,165 +0419_00044 19,57,72,89,93,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00045 53,89,93,113,123,126,127,131,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00046 53,57,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0419_00047 53,89,91,108,113,114,115,116,118,123,127,129,131,139,140,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0419_00048 53,89,91,93,113,114,115,123,126,127,131,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00049 57,66,89,98,105,112,120,123,127,136,137,139,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0419_00050 19,53,57,72,89,105,113,120,123,125,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00051 53,89,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00052 19,57,72,83,89,96,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00053 82,89,91,93,105,109,113,125,126,127,131,136,139,140,143,144,145,146,152,153,154,155,157,159,160,162,163,164,165 +0419_00054 53,89,93,113,123,126,127,131,139,140,141,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00055 57,72,89,90,98,105,109,113,116,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00056 53,89,93,113,123,126,127,131,136,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00057 19,53,57,72,82,89,90,105,109,113,120,123,125,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00058 53,72,89,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00059 19,53,57,72,89,105,113,120,123,125,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00060 57,83,89,93,96,105,113,123,125,126,127,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00061 53,54,57,72,89,90,91,99,104,108,115,116,118,123,127,128,129,131,132,137,139,140,143,146,147,150,152,154,157,159,160,164,165 +0419_00062 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00063 50,62,72,76,89,99,125,127,131,136,139,140,143,145,146,150,152,154,157,159,162,163,164,165 +0419_00064 89,93,105,113,123,125,126,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00065 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00066 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00067 53,57,72,83,89,90,91,93,96,104,105,108,112,113,114,115,116,118,123,125,126,127,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00068 57,66,89,98,105,112,120,123,126,127,136,137,140,141,143,145,146,149,150,152,154,157,159,160,163,164,165 +0419_00069 57,72,89,98,105,109,113,116,120,123,125,126,127,132,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00070 19,53,57,72,86,89,90,93,105,109,113,115,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00071 89,93,105,113,125,126,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00072 26,50,53,57,62,66,72,76,89,90,91,93,98,99,105,112,113,115,120,123,125,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00073 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00074 53,89,91,93,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00075 19,53,57,72,89,90,99,105,109,113,120,123,125,126,127,131,136,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00076 53,57,89,98,105,108,113,114,115,116,118,123,125,127,129,131,132,137,139,140,143,145,146,147,152,154,155,157,159,160,162,163,164,165 +0419_00077 74,90,91,92,95,104,109,110,111,114,115,116,117,123,125,126,131,136,140,141,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00078 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00079 53,89,91,93,108,113,114,115,116,118,123,126,127,129,131,139,140,143,144,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00080 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00081 19,53,57,72,89,93,105,113,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00082 54,74,79,90,91,92,95,104,109,110,111,114,115,116,117,123,125,126,131,136,140,141,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00083 19,53,57,72,89,90,104,105,109,113,120,123,125,126,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00084 57,89,98,105,113,125,127,131,137,139,140,143,145,146,149,152,154,157,159,160,162,163,164,165 +0419_00085 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00086 57,89,91,108,115,116,120,123,126,127,131,132,136,137,139,140,141,143,146,149,150,152,154,155,157,159,160,164,165 +0419_00087 53,72,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00088 89,105,113,125,127,131,136,139,140,143,144,145,146,152,154,157,159,160,162,163,164,165 +0419_00089 53,89,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00090 34,50,57,76,83,89,90,91,96,99,104,108,115,116,118,123,127,128,129,131,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00091 53,72,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00092 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00093 53,62,89,105,113,125,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00094 53,62,89,105,113,125,127,131,136,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00095 89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00096 30,49,72,74,85,86,89,93,95,108,111,112,113,116,122,123,126,127,139,140,141,143,144,146,147,148,149,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00097 19,53,54,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00098 50,57,62,72,76,83,89,93,96,99,113,123,125,126,127,136,137,139,140,143,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00099 57,83,89,91,96,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00100 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00101 53,89,91,109,113,123,125,126,127,131,136,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00102 53,89,91,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00103 50,57,62,72,76,83,89,93,96,99,113,123,125,126,127,136,137,139,140,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00104 74,91,92,95,104,109,110,111,115,117,123,125,126,128,131,136,140,142,145,146,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00105 53,72,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00106 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,116,123,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00107 57,83,89,91,96,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00108 50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00109 53,89,91,93,108,113,114,115,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00110 50,57,76,82,83,89,90,91,96,99,108,109,115,116,118,123,127,128,129,131,132,136,137,139,140,143,146,147,149,150,152,153,154,155,157,159,160,164,165 +0419_00111 57,89,93,98,105,113,125,126,127,137,139,140,141,143,145,146,149,152,154,157,159,160,162,163,164,165 +0419_00112 57,90,98,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,163,164,165 +0419_00113 19,53,57,72,89,91,93,105,108,113,114,115,116,118,120,123,125,126,127,128,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00114 57,72,76,89,90,93,98,99,105,113,115,123,126,127,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00115 53,89,113,123,127,131,136,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0419_00116 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,116,123,126,127,131,132,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00117 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00118 53,57,72,89,91,93,98,105,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00119 53,57,83,89,91,93,96,105,108,113,114,115,116,118,123,125,126,127,129,131,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00120 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00121 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00122 89,91,93,108,113,114,115,116,118,123,125,126,127,128,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00123 34,50,57,76,83,89,91,96,99,108,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00124 53,72,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00125 19,53,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00126 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00127 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00128 53,89,91,109,113,123,125,126,127,131,136,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00129 50,54,57,62,72,74,76,83,89,90,92,95,96,97,99,104,110,111,115,117,123,125,127,131,136,137,139,140,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00130 19,53,57,72,86,89,90,105,109,113,114,116,120,123,125,126,127,131,136,137,138,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00131 50,54,57,62,72,76,83,89,90,92,95,96,97,99,104,110,111,117,123,125,127,131,136,137,139,140,143,145,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0419_00132 26,50,53,57,66,76,83,89,96,99,105,112,113,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00133 53,89,91,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00134 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00135 19,53,57,72,89,90,105,109,113,116,120,123,125,126,127,131,136,137,139,140,141,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0419_00136 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,132,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00137 53,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00138 19,53,57,72,89,91,93,105,108,113,114,115,116,118,120,123,125,126,127,129,131,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00139 57,83,89,96,105,113,125,127,131,137,139,143,145,146,149,152,157,159,160,162,163,164,165 +0419_00140 26,50,53,57,66,76,83,89,96,99,105,112,113,127,131,136,137,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00141 90,91,108,114,115,116,118,123,128,129,131,136,139,140,146,147,149,154,155,157,159,160,164 +0419_00142 57,83,89,91,96,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00143 90,91,104,108,114,115,116,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,160,164 +0419_00144 53,89,91,93,108,113,114,115,116,118,123,125,126,127,129,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00145 50,53,57,66,76,83,89,91,93,96,99,105,108,112,113,114,115,116,118,123,126,127,129,131,136,137,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00146 50,57,62,72,76,83,89,93,96,99,123,125,126,127,136,137,139,140,143,145,146,150,152,154,157,159,160,162,163,164,165 +0419_00147 89,91,93,108,113,114,115,116,118,123,125,126,127,129,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00148 19,53,57,72,89,91,105,108,113,114,115,116,118,120,123,125,127,128,129,131,132,136,137,139,140,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00149 26,50,57,62,72,76,83,89,96,99,101,105,120,123,125,127,136,137,140,143,145,146,150,152,154,157,159,162,163,164,165 +0419_00150 50,57,62,72,76,83,89,92,93,95,96,97,99,104,108,110,111,117,123,125,126,127,131,136,137,139,140,143,145,146,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00151 50,57,62,72,76,83,89,96,99,105,113,120,123,125,127,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0419_00152 89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00153 50,57,62,72,74,76,83,89,92,93,95,96,97,99,104,108,110,111,115,117,123,125,126,127,131,136,137,139,140,141,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0419_00154 89,90,108,114,115,116,123,126,131,136,139,140,141,146,149,152,154,155,157,159,160,164 +0419_00155 53,72,89,91,93,113,114,115,118,123,125,126,127,131,136,139,140,141,143,144,145,146,147,149,150,152,154,155,157,159,160,162,163,164,165 +0419_00156 53,89,93,113,123,125,126,127,131,136,139,140,141,143,144,145,146,149,150,152,154,157,159,160,162,163,164,165 +0419_00157 34,50,57,76,83,89,91,96,99,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,150,152,154,155,157,159,160,164,165 +0419_00158 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0419_00159 57,66,74,83,89,91,96,108,112,115,116,118,123,127,128,129,132,136,137,139,140,141,143,146,147,149,150,152,154,155,157,159,160,164,165 +0419_00160 90,91,93,104,108,114,115,116,118,123,126,128,129,131,132,136,139,140,146,147,149,154,155,157,159,160,164 +0419_00161 57,83,89,91,96,108,114,115,116,118,123,127,128,129,132,136,137,139,140,143,146,147,149,150,152,154,155,157,159,160,164,165 diff --git a/processed_data/0419/0419_fingerprints_pubchem_canonical_success.tsv b/processed_data/0419/0419_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..2af2cc7df --- /dev/null +++ b/processed_data/0419/0419_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,162 @@ +id bits.on +0419_00001 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0419_00002 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,689,690,691,699,702 +0419_00003 10,11,12,15,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,391,393,394,406,407,417,421,433,438,442,444,450,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,640,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,687,690,691,696,701,709,710,711 +0419_00004 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,391,393,394,406,407,417,421,433,438,440,442,444,450,452,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,686,687,690,691,692,694,696,701,709,710,711 +0419_00005 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0419_00006 10,11,12,15,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,433,438,441,442,444,450,453,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,686,687,690,691,694,696,701,709,710,711 +0419_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00008 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,699,700,702,709,710,711,714,736,741,757,777,799,804,820 +0419_00009 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0419_00011 10,11,12,19,20,21,179,180,182,183,186,193,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00012 10,11,12,13,19,20,21,144,147,150,151,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00013 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,699,700,702,709,710,711,736,741,799,804 +0419_00014 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00015 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10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00017 10,11,12,13,19,20,21,179,180,182,183,186,193,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00018 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0419_00019 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00020 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00021 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00022 10,11,12,19,20,21,22,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,568,571,572,574,575,576,579,580,582,583,585,591,595,596,598,604,605,606,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0419_00023 10,11,12,19,20,21,22,144,147,179,180,183,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00024 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,699,700,702,705,709,710,711,714,736,741,757,777,799,804,820 +0419_00025 10,11,12,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,604,605,606,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0419_00026 10,11,12,19,20,21,22,144,147,179,180,183,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,375,382,383,385,406,407,410,417,421,431,433,442,444,463,471,477,491,494,499,521,525,536,538,542,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00027 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00028 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00029 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00030 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10,11,12,13,19,20,21,22,144,147,151,154,179,180,183,186,187,193,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,757,762,777,778,783,799,804,820,825 +0419_00032 10,11,12,13,19,20,21,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00033 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00034 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10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00036 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10,11,12,19,20,21,144,147,150,151,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00038 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,777,778,783,798,799,804,819,820 +0419_00039 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00040 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00041 10,11,12,13,19,20,21,22,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00042 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00043 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,179,180,186,187,256,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,385,391,392,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,529,536,537,541,550,553,557,565,570,571,579,580,581,583,585,593,594,596,600,603,604,608,609,612,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,685,689,693,696,697,705,709,710,711 +0419_00044 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00045 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00046 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00047 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00048 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00049 10,11,12,13,19,20,21,179,180,182,186,189,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,572,580,582,583,589,615,618,638,640,643,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820 +0419_00050 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00051 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00052 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00053 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00054 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00055 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00056 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00057 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00058 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00059 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00060 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00061 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,554,557,568,572,574,583,595,600,615,618,620,638,640,641,642,661,664,667,668,672,673,679,680,681,689,690,697,699 +0419_00062 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00063 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,661,665,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00064 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00065 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00066 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00067 10,11,12,13,19,20,21,22,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00068 10,11,12,13,19,20,21,179,180,182,186,189,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,421,433,441,444,453,536,580,582,583,589,615,638,640,643,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820 +0419_00069 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00070 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00071 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00072 10,11,12,13,14,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,284,285,287,309,333,334,336,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,604,605,606,607,609,615,618,619,620,621,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,799,804,820,825 +0419_00073 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00074 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00075 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00076 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00077 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,615,616,619,624,629,634,635,638,641,644,646,647,657,660,661,665,669,672,673,678,679,680,681,684,685,689,693,705,709,710,711 +0419_00078 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00079 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00080 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00081 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00082 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,549,550,553,554,557,565,567,570,571,574,575,579,580,583,585,593,595,596,598,600,603,604,605,608,609,612,614,615,616,619,620,624,629,634,635,638,641,642,644,646,647,656,657,660,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711 +0419_00083 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00084 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,736,741,756,757,777,778,799,804,819,820 +0419_00085 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00086 10,11,12,13,14,19,20,21,22,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,572,580,582,583,615,618,638,640,643,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0419_00087 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00088 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,697,698,699,700,702,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0419_00089 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00090 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,447,453,491,536,554,557,572,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00091 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00092 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00093 10,11,12,13,19,20,21,22,179,180,183,186,187,190,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00094 10,11,12,13,19,20,21,22,179,180,183,186,187,190,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00095 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00096 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,537,541,542,543,545,549,553,557,565,566,567,568,571,574,575,576,579,580,583,585,590,591,593,595,596,600,603,604,605,607,609,614,618,619,620,627,631,632,635,638,640,641,642,652,654,656,660,661,663,664,665,667,668,669,678,679,680,681,684,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,741,762,778,799,804,825 +0419_00097 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00098 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0419_00099 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00100 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00101 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00102 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00103 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0419_00104 10,11,12,13,15,16,19,20,21,179,180,186,187,193,194,256,258,260,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,615,616,619,624,629,634,635,638,641,644,646,647,657,660,661,665,669,672,673,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00105 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00106 10,11,12,13,19,20,21,22,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,442,444,471,477,491,494,499,521,525,536,542,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00107 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00108 10,11,12,13,19,20,21,144,150,284,285,287,309,333,334,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,453,491,525,536,554,557,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,689,690,693,697,699,705 +0419_00109 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00110 10,11,12,13,19,20,21,144,150,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,453,491,525,536,554,557,572,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,689,690,693,697,698,699,705,709,710 +0419_00111 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00112 10,11,12,13,19,20,21,179,182,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,583,615,618,638,680,681,682,685,687,688,689,690,693,694,697,698,699,705,706,709,710,711,713 +0419_00113 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00114 10,11,12,13,19,20,21,22,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0419_00115 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00116 10,11,12,13,19,20,21,22,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,442,444,471,477,491,494,499,521,525,536,542,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00117 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00118 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00119 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00120 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00121 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00122 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00123 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00124 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00125 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00126 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00127 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00128 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00129 10,11,12,13,15,19,20,21,144,150,179,180,186,187,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,618,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00130 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00131 10,11,12,13,15,19,20,21,144,150,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,618,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00132 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00133 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00134 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00135 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00136 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00137 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00138 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00139 10,11,12,19,20,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,736,741,756,757,777,778,799,804,819,820 +0419_00140 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00141 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00142 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00143 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,705,709,710,711,713 +0419_00144 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00145 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00146 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,664,665,667,668,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00147 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00148 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00149 10,11,12,13,19,20,21,144,150,151,157,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00150 10,11,12,13,15,19,20,21,144,150,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,616,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00151 10,11,12,13,19,20,21,144,150,151,157,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,685,687,689,690,693,697,699,705,709,710,711,757,820 +0419_00152 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00153 10,11,12,13,15,19,20,21,144,150,179,180,186,187,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,616,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00154 10,11,12,13,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,572,580,582,583,615,618,638,640,643,680,681,685,689,690,693,697,698,699,705,709,710,711 +0419_00155 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00156 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,437,441,442,444,449,453,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00157 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00158 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0419_00159 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,712,713 +0419_00160 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,367,375,381,406,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713 +0419_00161 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 diff --git a/processed_data/0419/0419_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0419/0419_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..2b7b90c88 --- /dev/null +++ b/processed_data/0419/0419_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,162 @@ +id bits.on +0419_00001 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0419_00002 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,689,690,691,699,702 +0419_00003 10,11,12,15,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,391,393,394,406,407,417,421,433,438,442,444,450,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,640,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,687,690,691,696,701,709,710,711 +0419_00004 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,391,393,394,406,407,417,421,433,438,440,442,444,450,452,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,686,687,690,691,692,694,696,701,709,710,711 +0419_00005 10,11,19,20,21,284,285,287,309,333,345,353,381,407,417,421,435,441,442,444,447,453,517,525,554,574,620,668,672,673 +0419_00006 10,11,12,15,19,20,21,179,183,284,285,286,287,300,309,333,334,338,339,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,433,438,441,442,444,450,453,463,477,491,499,525,529,536,538,541,554,557,567,568,572,580,582,583,593,606,614,618,638,639,641,642,643,644,657,660,661,664,672,674,679,680,681,682,683,684,685,686,687,690,691,694,696,701,709,710,711 +0419_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00008 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,699,700,702,709,710,711,714,736,741,757,777,799,804,820 +0419_00009 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00010 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,702,705,706,709,710,711,715,741,757,778,804,820 +0419_00011 10,11,12,19,20,21,179,180,182,183,186,193,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00012 10,11,12,13,19,20,21,144,147,150,151,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00013 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,699,700,702,709,710,711,736,741,799,804 +0419_00014 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00015 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00016 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00017 10,11,12,13,19,20,21,179,180,182,183,186,193,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00018 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,618,638,640,664,682 +0419_00019 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00020 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10,11,12,19,20,21,22,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,568,571,572,574,575,576,579,580,582,583,585,591,595,596,598,604,605,606,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0419_00023 10,11,12,19,20,21,22,144,147,179,180,183,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00024 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,435,437,442,444,447,449,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,699,700,702,705,709,710,711,714,736,741,757,777,799,804,820 +0419_00025 10,11,12,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,604,605,606,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 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10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00029 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00030 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00031 10,11,12,13,19,20,21,22,144,147,151,154,179,180,183,186,187,193,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,757,762,777,778,783,799,804,820,825 +0419_00032 10,11,12,13,19,20,21,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00033 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00034 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00035 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00036 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10,11,12,19,20,21,144,147,150,151,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00038 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,777,778,783,798,799,804,819,820 +0419_00039 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,572,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00040 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00041 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10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00043 10,11,12,13,15,16,17,19,20,21,144,146,147,151,153,154,179,180,186,187,256,258,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,385,391,392,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,529,536,537,541,550,553,557,565,570,571,579,580,581,583,585,593,594,596,600,603,604,608,609,612,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,685,689,693,696,697,705,709,710,711 +0419_00044 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00045 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00046 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00047 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00048 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00049 10,11,12,13,19,20,21,179,180,182,186,189,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,572,580,582,583,589,615,618,638,640,643,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820 +0419_00050 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00051 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00052 10,11,12,13,19,20,21,22,144,150,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00053 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00054 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00055 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00056 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00057 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00058 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00059 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00060 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00061 10,11,12,13,19,20,21,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,417,421,435,441,442,444,447,453,491,517,525,554,557,568,572,574,583,595,600,615,618,620,638,640,641,642,661,664,667,668,672,673,679,680,681,689,690,697,699 +0419_00062 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00063 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,661,665,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00064 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00065 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00066 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00067 10,11,12,13,19,20,21,22,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00068 10,11,12,13,19,20,21,179,180,182,186,189,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,421,433,441,444,453,536,580,582,583,589,615,638,640,643,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,804,819,820 +0419_00069 10,11,12,13,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,564,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,735,741,757,778,798,804,820 +0419_00070 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00071 10,11,12,13,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00072 10,11,12,13,14,19,20,21,22,179,180,185,186,187,192,193,194,200,201,207,256,258,284,285,287,309,333,334,336,338,340,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,604,605,606,607,609,615,618,619,620,621,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,735,741,757,778,798,799,804,820,825 +0419_00073 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00074 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00075 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00076 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00077 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,615,616,619,624,629,634,635,638,641,644,646,647,657,660,661,665,669,672,673,678,679,680,681,684,685,689,693,705,709,710,711 +0419_00078 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00079 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00080 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00081 10,11,12,13,19,20,21,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00082 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,549,550,553,554,557,565,567,570,571,574,575,579,580,583,585,593,595,596,598,600,603,604,605,608,609,612,614,615,616,619,620,624,629,634,635,638,641,642,644,646,647,656,657,660,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711 +0419_00083 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00084 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,736,741,756,757,777,778,799,804,819,820 +0419_00085 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00086 10,11,12,13,14,19,20,21,22,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,572,580,582,583,615,618,638,640,643,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0419_00087 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00088 10,11,12,19,20,21,179,180,183,186,187,193,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,697,698,699,700,702,705,709,710,711,713,714,735,736,756,757,777,798,799,819,820 +0419_00089 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00090 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,447,453,491,536,554,557,572,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00091 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00092 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00093 10,11,12,13,19,20,21,22,179,180,183,186,187,190,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00094 10,11,12,13,19,20,21,22,179,180,183,186,187,190,193,194,200,201,207,256,258,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,687,688,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00095 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10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,537,541,542,543,545,549,553,557,565,566,567,568,571,574,575,576,579,580,583,585,590,591,593,595,596,600,603,604,605,607,609,614,618,619,620,627,631,632,635,638,640,641,642,652,654,656,660,661,663,664,665,667,668,669,678,679,680,681,684,685,689,690,691,693,697,699,700,701,702,705,709,710,711,715,736,741,762,778,799,804,825 +0419_00097 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00098 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0419_00099 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00100 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00101 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00102 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00103 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,627,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0419_00104 10,11,12,13,15,16,19,20,21,179,180,186,187,193,194,256,258,260,284,285,286,287,300,333,334,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,615,616,619,624,629,634,635,638,641,644,646,647,657,660,661,665,669,672,673,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00105 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00106 10,11,12,13,19,20,21,22,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,442,444,471,477,491,494,499,521,525,536,542,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00107 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,433,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00108 10,11,12,13,19,20,21,144,150,284,285,287,309,333,334,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,453,491,525,536,554,557,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,689,690,693,697,699,705 +0419_00109 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00110 10,11,12,13,19,20,21,144,150,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,453,491,525,536,554,557,572,574,580,582,583,595,615,618,620,638,640,641,643,661,667,668,672,679,680,681,685,689,690,693,697,698,699,705,709,710 +0419_00111 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00112 10,11,12,13,19,20,21,179,182,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,583,615,618,638,680,681,682,685,687,688,689,690,693,694,697,698,699,705,706,709,710,711,713 +0419_00113 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00114 10,11,12,13,19,20,21,22,179,180,183,185,186,193,256,284,285,287,309,333,334,340,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,606,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,714,720,735,736,756,757,777,783,798,799,819,820 +0419_00115 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00116 10,11,12,13,19,20,21,22,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,375,381,382,383,385,406,407,417,421,431,433,442,444,471,477,491,494,499,521,525,536,542,549,553,554,557,564,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00117 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00118 10,11,12,13,19,20,21,22,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00119 10,11,12,13,19,20,21,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00120 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00121 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00122 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00123 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,433,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00124 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10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00126 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10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00128 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,491,494,499,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,595,596,598,600,604,605,607,609,615,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00129 10,11,12,13,15,19,20,21,144,150,179,180,186,187,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,618,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00130 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00131 10,11,12,13,15,19,20,21,144,150,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,618,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00132 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00133 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00134 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00135 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,437,441,442,444,447,449,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,720,735,736,741,756,757,762,777,778,783,798,799,804,819,820,825 +0419_00136 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00137 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00138 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00139 10,11,12,19,20,144,147,179,180,186,187,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,714,715,736,741,756,757,777,778,799,804,819,820 +0419_00140 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,741,757,778,798,804,820 +0419_00141 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00142 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 +0419_00143 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,705,709,710,711,713 +0419_00144 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00145 10,11,12,13,19,20,21,144,150,179,180,183,186,256,284,285,287,309,333,334,335,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,715,735,736,741,756,757,778,798,799,804,819,820 +0419_00146 10,11,12,13,19,20,21,144,150,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,664,665,667,668,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00147 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00148 10,11,12,13,19,20,21,22,179,180,186,187,214,220,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,720,736,741,756,757,762,778,783,799,804,819,820,825 +0419_00149 10,11,12,13,19,20,21,144,150,151,157,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,371,372,381,385,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,553,554,557,565,568,571,574,579,580,583,585,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711 +0419_00150 10,11,12,13,15,19,20,21,144,150,179,180,186,187,193,194,256,258,260,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,616,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00151 10,11,12,13,19,20,21,144,150,151,157,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,623,627,633,635,638,641,642,652,656,661,663,664,665,667,668,669,672,678,679,680,681,685,687,689,690,693,697,699,705,709,710,711,757,820 +0419_00152 10,11,12,13,19,20,21,22,179,180,186,187,193,194,256,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,778,799,804,819,820 +0419_00153 10,11,12,13,15,19,20,21,144,150,179,180,186,187,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,465,471,477,491,499,517,521,525,529,536,537,541,553,554,557,565,567,568,571,574,579,580,583,585,593,595,596,598,600,603,604,608,609,614,615,616,619,620,635,638,641,642,644,646,647,656,657,660,661,663,664,665,667,668,669,672,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0419_00154 10,11,12,13,19,20,21,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,572,580,582,583,615,618,638,640,643,680,681,685,689,690,693,697,698,699,705,709,710,711 +0419_00155 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,687,689,690,691,693,694,697,699,700,701,702,705,706,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +0419_00156 10,11,12,13,19,20,21,22,179,180,186,187,256,258,284,285,287,309,333,334,342,345,347,353,356,357,367,375,381,382,383,385,406,407,417,421,431,437,441,442,444,449,453,471,477,491,494,499,521,525,536,542,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,713,714,715,735,736,741,756,757,777,778,798,799,804,819,820 +0419_00157 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,441,442,444,447,453,491,536,554,557,574,580,582,583,595,600,615,618,638,640,641,642,643,667,673,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711 +0419_00158 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,435,441,442,444,447,453,491,525,536,557,572,580,583,600,618,638,641,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0419_00159 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,712,713 +0419_00160 10,11,12,13,19,20,21,284,285,287,309,333,334,336,345,353,367,375,381,406,407,421,441,444,453,536,580,583,618,638,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,701,705,709,710,711,713 +0419_00161 10,11,12,13,19,20,21,144,147,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,698,699,705,709,710,711,713 diff --git a/processed_data/0419/0419_gradient.tsv b/processed_data/0419/0419_gradient.tsv new file mode 100644 index 000000000..b8ea55126 --- /dev/null +++ b/processed_data/0419/0419_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.5 95 5 +7 0.5 0 100 +8 0.5 0 100 diff --git a/processed_data/0419/0419_info.tsv b/processed_data/0419/0419_info.tsv new file mode 100644 index 000000000..8aa81eec6 --- /dev/null +++ b/processed_data/0419/0419_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0419 10.1038/s41597-019-0305-1 Submitted by Fangyuan Sun Olivier-Jimenez, D., Chollet-Krugler, M., Rondeau, D. et al. ROASMI_59 column temperature diff --git a/processed_data/0419/0419_metadata.tsv b/processed_data/0419/0419_metadata.tsv new file mode 100644 index 000000000..ffa4b5dd1 --- /dev/null +++ b/processed_data/0419/0419_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0419 Waters SunFire C18 L1 50.0 4.6 3.5 0.5 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % 1.0579999999999998 diff --git a/processed_data/0419/0419_report_canonical.pdf b/processed_data/0419/0419_report_canonical.pdf new file mode 100644 index 000000000..bf9152927 Binary files /dev/null and b/processed_data/0419/0419_report_canonical.pdf differ diff --git a/processed_data/0419/0419_report_isomeric.pdf b/processed_data/0419/0419_report_isomeric.pdf new file mode 100644 index 000000000..311423504 Binary files /dev/null and b/processed_data/0419/0419_report_isomeric.pdf differ diff --git a/processed_data/0419/0419_rtdata_canonical_success.tsv b/processed_data/0419/0419_rtdata_canonical_success.tsv new file mode 100644 index 000000000..3a812bc62 --- /dev/null +++ b/processed_data/0419/0419_rtdata_canonical_success.tsv @@ -0,0 +1,162 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0419_00001 C6H14O6 0.28 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00002 C7H16O7 0.28 C(C(C(C(C(C(CO)O)O)O)O)O)O InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2 OXQKEKGBFMQTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00003 C11H19NO6 0.4 COC1=C(CC(CC1=O)(CO)O)NC(CO)CO InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3 VVTDHOIRNPCGTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00004 C13H22N2O6 0.46 COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)N)CO InChI=1S/C13H22N2O6/c1-21-12-9(4-13(20,7-17)5-10(12)18)15-8(6-16)2-3-11(14)19/h8,15-17,20H,2-7H2,1H3,(H2,14,19) BVWBDCIYHWDCRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00005 C4H4O4 0.46 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0419_00006 C13H21NO7 0.53 COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)O)CO InChI=1S/C13H21NO7/c1-21-12-9(4-13(20,7-16)5-10(12)17)14-8(6-15)2-3-11(18)19/h8,14-16,20H,2-7H2,1H3,(H,18,19) AOLLRBVQJZTTPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0419_00007 C9H10O4 2.35 CC1=CC(=CC(=C1C(=O)O)OC)O InChI=1S/C9H10O4/c1-5-3-6(10)4-7(13-2)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12) HKYUPCAKFRQXJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0419_00008 C8H10O2 3.25 CC1=CC(=C(C(=C1)O)C)O InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3 GHVHDYYKJYXFGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) Xylenols (CHEMONTID:0004212) p-Xylenols (CHEMONTID:0004215) +0419_00009 C8H8O4 3.41 CC1=CC(=CC(=C1C(=O)O)O)O InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12) AMKYESDOVDKZKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00010 C8H8O4 3.77 CC(=O)C1=C(C=C(C=C1O)O)O InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 XLEYFDVVXLMULC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0419_00011 C14H8O6 3.87 CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=O)C3=O)O InChI=1S/C14H8O6/c1-5-2-7(15)12-10(20-5)3-6-11(14(12)19)8(16)4-9(17)13(6)18/h2-4,16,19H,1H3 NPUXQAACUNUHIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) Naphthopyranones (CHEMONTID:0001641) NA (NA) NA (NA) +0419_00012 C16H10O7 3.95 CC1=CC(=C2C3=C(C=C(C4=C3COC4=O)O)OC2=C1C(=O)O)O InChI=1S/C16H10O7/c1-5-2-7(17)13-12-6-4-22-16(21)11(6)8(18)3-9(12)23-14(13)10(5)15(19)20/h2-3,17-18H,4H2,1H3,(H,19,20) QZYZPZAPRHESDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00013 C9H12O2 3.97 CCCC1=CC(=CC(=C1)O)O InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3 FRNQLQRBNSSJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0419_00014 C9H10O4 3.99 CC1=CC(=C(C(=C1C(=O)O)O)C)O InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13) VHNLJRRECIZZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00015 C19H22O10 4 CC1=CC(=O)C2=C(C(=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)OC(=O)C)C)O InChI=1S/C19H22O10/c1-7-4-10(22)14-12(26-7)5-11(8(2)15(14)23)28-19-18(27-9(3)21)17(25)16(24)13(6-20)29-19/h4-5,13,16-20,23-25H,6H2,1-3H3 LBPJJBJKHHBVBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00016 C16H12O7 4.01 CC1=CC(=C2C3=C(C=C(C(=C3C)C(=O)O)O)OC2=C1C(=O)O)O InChI=1S/C16H12O7/c1-5-3-7(17)13-12-6(2)11(16(21)22)8(18)4-9(12)23-14(13)10(5)15(19)20/h3-4,17-18H,1-2H3,(H,19,20)(H,21,22) ZVWOMGLVQVBJQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00017 C16H12O6 4.03 CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C(=CC(=O)C3=O)OC InChI=1S/C16H12O6/c1-7-4-9(17)14-12(22-7)5-8-13(16(14)21-3)11(20-2)6-10(18)15(8)19/h4-6H,1-3H3 GESAVORGYOGKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) Naphthopyranones (CHEMONTID:0001641) NA (NA) NA (NA) +0419_00018 C4H10O4 4.05 C(C(C(CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2 UNXHWFMMPAWVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00019 C19H14O10 4.06 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)OC InChI=1S/C19H14O10/c1-6-3-9(26-2)7(4-20)14-10(6)17(23)28-15-8(5-21)13(22)11-12(16(15)27-14)19(25)29-18(11)24/h3-4,19,21-22,25H,5H2,1-2H3 FYPCEUKJORJHDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00020 C10H12O4 4.15 CCCC1=C(C(=CC(=C1)O)O)C(=O)O InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14) RIVVNGIVVYEIRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00021 C20H24O10 4.2 CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC3C(C(C(C(O3)COC(=O)C)O)O)O)C InChI=1S/C20H24O10/c1-7-5-11(22)13-14(23)8(2)18(9(3)19(13)28-7)30-20-17(26)16(25)15(24)12(29-20)6-27-10(4)21/h5,12,15-17,20,23-26H,6H2,1-4H3 NJRLDXGREKHXGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00022 C15H12O8 4.23 CC1C(C2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)C(=O)O1)O InChI=1S/C15H12O8/c1-4-11(17)9-10(15(21)23-4)13(19)7-5(16)3-6(22-2)12(18)8(7)14(9)20/h3-4,11,17,19-20H,1-2H3 GCBHOICQSSPFDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00023 C15H10O8 4.27 CC(=O)C1=C(C2=C(O1)C=C3C(=C2O)C(=O)C(=O)C(=C3O)OC)O InChI=1S/C15H10O8/c1-4(16)14-12(20)8-6(23-14)3-5-7(10(8)18)11(19)13(21)15(22-2)9(5)17/h3,17-18,20H,1-2H3 XKWWCTISHMFHJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthofurans (CHEMONTID:0001634) NA (NA) NA (NA) NA (NA) +0419_00024 C8H8O3 4.33 CC1=CC(=C(C(=C1)O)C=O)O InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3 JASONGFGOLHLGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0419_00025 C15H12O7 4.41 CC1CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)C(=O)O1 InChI=1S/C15H12O7/c1-5-3-6-9(15(20)22-5)14(19)10-7(16)4-8(21-2)13(18)11(10)12(6)17/h4-5,17,19H,3H2,1-2H3 VZSFONBSZGFZNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00026 C15H10O9 4.5 CC(=O)C1=C(C2=C(O1)C(=O)C3=C(C2=O)C(=C(C(=C3O)OC)O)O)O InChI=1S/C15H10O9/c1-3(16)13-11(21)6-7(17)4-5(9(19)14(6)24-13)10(20)15(23-2)12(22)8(4)18/h18,20-22H,1-2H3 MJLVJBPJKONLFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthofurans (CHEMONTID:0001634) NA (NA) NA (NA) NA (NA) +0419_00027 C18H12O10 4.51 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3 QQTKVXCQLZIJPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00028 C13H14O4 4.51 CC1=CC(=O)C2=C(C=C(C(=C2O1)C)OC)OC InChI=1S/C13H14O4/c1-7-5-9(14)12-11(16-4)6-10(15-3)8(2)13(12)17-7/h5-6H,1-4H3 MJHNYZONVLZSNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00029 C20H22O10 4.52 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OCC(C(CO)O)O)O)O)O InChI=1S/C20H22O10/c1-9-3-11(22)5-13(23)18(9)20(28)30-12-4-10(2)17(14(24)6-12)19(27)29-8-16(26)15(25)7-21/h3-6,15-16,21-26H,7-8H2,1-2H3 BUBBEHCXSMCYNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00030 C11H10O4 4.52 CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3 HMAUJNAGOIPKDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00031 C18H8O8 4.52 C1=C2C(=CC(=C1O)O)OC3=C2C(=O)C4=C(C3=O)C5=CC(=C(C=C5O4)O)O InChI=1S/C18H8O8/c19-7-1-5-11(3-9(7)21)25-17-13(5)15(23)18-14(16(17)24)6-2-8(20)10(22)4-12(6)26-18/h1-4,19-22H PDICCECAPKBDBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) NA (NA) NA (NA) NA (NA) +0419_00032 C16H10O7 4.58 CC1=CC(=CC2=C1C(=O)OC3=C(O2)C(=C4C(=C3)COC4=O)O)O InChI=1S/C16H10O7/c1-6-2-8(17)4-9-11(6)16(20)23-10-3-7-5-21-15(19)12(7)13(18)14(10)22-9/h2-4,17-18H,5H2,1H3 LPUOVEFMUOQBFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00033 C9H10O4 4.63 CC1=CC(=CC(=C1C(=O)OC)O)O InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3 NCCWCZLEACWJIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00034 C11H10O4 4.65 CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3 XSSGQRFNGHRFBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00035 C16H14O8 4.69 CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)O)O)O InChI=1S/C16H14O8/c1-6-3-8(5-9(17)11(6)15(21)22)24-16(23)12-7(2)4-10(18)13(19)14(12)20/h3-5,17-20H,1-2H3,(H,21,22) UPYXFRYWDWLGRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00036 C21H24O11 4.69 CC1=CC(=O)C2=C(C(=C(C=C2O1)OC3C(C(C(C(O3)COC(=O)C)O)O)OC(=O)C)C)O InChI=1S/C21H24O11/c1-8-5-12(24)16-14(29-8)6-13(9(2)17(16)25)31-21-20(30-11(4)23)19(27)18(26)15(32-21)7-28-10(3)22/h5-6,15,18-21,25-27H,7H2,1-4H3 AFCAWRFTSGVRQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00037 C15H10O5 4.72 CC1=CC(=CC2=C1C3=C(O2)C=C(C4=C3COC4=O)O)O InChI=1S/C15H10O5/c1-6-2-7(16)3-10-12(6)14-8-5-19-15(18)13(8)9(17)4-11(14)20-10/h2-4,16-17H,5H2,1H3 OOXFLIUVCWLPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00038 C16H12O6 4.75 CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O InChI=1S/C16H12O6/c1-6-3-9(17)12-13(14(6)19)15(20)8-4-7(22-2)5-10(18)11(8)16(12)21/h3-5,17-19H,1-2H3 VUUONEBXXLQCQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00039 C15H10O6 4.9 C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2 YQHZABGPIPECSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00040 C19H14O9 4.93 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3 SKCUFZLDTAYNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00041 C18H18O8 5.06 CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)COC(=O)C=C(C)CC(=O)O)O InChI=1S/C18H18O8/c1-9(4-15(20)21)5-16(22)25-8-11-13(24-3)7-14-17(18(11)23)12(19)6-10(2)26-14/h5-7,23H,4,8H2,1-3H3,(H,20,21) JSLBEJMNMZJONS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00042 C15H8O7 5.06 C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22) ZJXVNNSMRGTDBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0419_00043 C28H32N4O4 5.08 C1CC2C(=O)NC(CC(=O)N3CCCC3C(=O)NC(CC(=O)N2C1)C4=CC=CC=C4)C5=CC=CC=C5 InChI=1S/C28H32N4O4/c33-25-17-21(19-9-3-1-4-10-19)29-27(35)23-13-7-16-32(23)26(34)18-22(20-11-5-2-6-12-20)30-28(36)24-14-8-15-31(24)25/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,35)(H,30,36) PDLPVRYEPINIBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0419_00044 C18H14O8 5.08 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22) FUCWJKJZOHOLEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00045 C10H12O4 5.09 CC1=CC(=C(C(=C1C(=O)O)O)C)OC InChI=1S/C10H12O4/c1-5-4-7(14-3)6(2)9(11)8(5)10(12)13/h4,11H,1-3H3,(H,12,13) BMRVNZZVDSVOQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00046 C14H10O5 5.15 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3 AQZHBCDRWFMXIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00047 C12H16O4 5.24 CCCCCC1=C(C(=CC(=C1)O)O)C(=O)O InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16) SXFKFRRXJUJGSS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00048 C11H14O4 5.25 CCCC1=C(C(=CC(=C1)OC)O)C(=O)O InChI=1S/C11H14O4/c1-3-4-7-5-8(15-2)6-9(12)10(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14) INFZQUVBGYTJCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00049 C17H26O5 5.25 CC1C(OC2(C(C1O)C)C(C3C(C(=O)C2(C(=O)O3)C)C)C)C InChI=1S/C17H26O5/c1-7-11(5)22-17(9(3)12(7)18)10(4)13-8(2)14(19)16(17,6)15(20)21-13/h7-13,18H,1-6H3 CVPVGRDVSAJUQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00050 C17H14O7 5.27 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)C)C)O InChI=1S/C17H14O7/c1-6-4-9(18)7(2)15-12(6)17(22)23-11-5-10(19)13(16(20)21)8(3)14(11)24-15/h4-5,18-19H,1-3H3,(H,20,21) HETZRHDDRHBPKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00051 C16H14O7 5.3 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21) HEMSJKZDHNSSEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00052 C18H12O9 5.3 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O InChI=1S/C18H12O9/c1-5-3-8(20)7(4-19)14-9(5)16(22)26-13-6(2)12(21)10-11(15(13)25-14)18(24)27-17(10)23/h3-4,18,20-21,24H,1-2H3 IEVVSJFLBYOUCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00053 C16H12O6 5.36 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO InChI=1S/C16H12O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-5,17-19H,6H2,1H3 WJXSYUJKJSOJOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00054 C10H12O4 5.37 CC1=CC(=C(C(=C1C(=O)OC)O)C)O InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 UUQHKWMIDYRWHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00055 C23H26O12 5.4 CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC3C(C(C(C(O3)COC(=O)C)O)OC(=O)C)OC(=O)C)C InChI=1S/C23H26O12/c1-9-6-14(27)18-15(28)7-16(10(2)20(18)31-9)34-23-22(33-13(5)26)21(32-12(4)25)19(29)17(35-23)8-30-11(3)24/h6-7,17,19,21-23,28-29H,8H2,1-5H3 HXFPGPYWXWMQDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00056 C10H10O5 5.48 CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3 PXFMUVDLJWXOQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00057 C18H14O9 5.62 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24) VOXMONAUSQZPTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00058 C24H20O11 5.63 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=C(C=C(C(=C3C)C(=O)O)O)O)O)O)O InChI=1S/C24H20O11/c1-9-4-12(25)6-14(26)18(9)23(32)34-13-5-10(2)19(15(27)7-13)24(33)35-21-11(3)20(22(30)31)16(28)8-17(21)29/h4-8,25-29H,1-3H3,(H,30,31) PXEWPVIKVBSHLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00059 C18H16O7 5.63 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C)O InChI=1S/C18H16O7/c1-6-5-10(19)7(2)14-11(6)18(23)25-16-9(4)13(20)12(17(21)22)8(3)15(16)24-14/h5,19-20H,1-4H3,(H,21,22) CFPLLTGKDKZLIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00060 C19H18O7 5.63 CC1=CC(=C2C3=C(C(=C(C=C3OC2=C1C(=O)O)OC)C(=O)OC)C)OC InChI=1S/C19H18O7/c1-8-6-10(23-3)16-14-9(2)15(19(22)25-5)11(24-4)7-12(14)26-17(16)13(8)18(20)21/h6-7H,1-5H3,(H,20,21) WBIQYHZEYQDKCL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00061 C18H32O5 5.65 CC1CCCCCCCCCCC(C(C(C=CC(=O)O1)O)O)O InChI=1S/C18H32O5/c1-14-10-8-6-4-2-3-5-7-9-11-15(19)18(22)16(20)12-13-17(21)23-14/h12-16,18-20,22H,2-11H2,1H3 KECCBFYFEOTIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0419_00062 C18H16O9 5.7 CC1=CC(=C(C(=C1OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O)O)C=O)O InChI=1S/C18H16O9/c1-7-5-11(26-3)13(17(23)24)15(22)12(7)18(25)27-16-8(2)4-10(20)9(6-19)14(16)21/h4-6,20-22H,1-3H3,(H,23,24) JQHGZAGUFPJYDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00063 C18H12O4 5.71 C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H HZKFHDXTSAYOSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00064 C16H10O7 5.72 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O InChI=1S/C16H10O7/c1-23-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-6(16(21)22)3-10(12)17/h2-5,17-18H,1H3,(H,21,22) HEULMVKOOVHXME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0419_00065 C19H18O9 5.79 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25) WCWYEXBIRSSVGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00066 C19H16O11 5.8 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C(=O)O)OC InChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27) RNCJCRJLNVRWJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00067 C25H30O9 5.81 CCCCCC1=C(C(=CC(=C1OC2=CC(=CC3=C2C(=O)OC3(CCCC)O)OC)O)O)C(=O)O InChI=1S/C25H30O9/c1-4-6-8-9-15-20(23(28)29)17(26)13-18(27)22(15)33-19-12-14(32-3)11-16-21(19)24(30)34-25(16,31)10-7-5-2/h11-13,26-27,31H,4-10H2,1-3H3,(H,28,29) BWRBGHBJBQFFAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00068 C19H28O6 5.84 CC1C(OC2(C(C3C(C(=O)C2(C(=O)O3)C)C)C)C(C1OC(=O)C)C)C InChI=1S/C19H28O6/c1-8-12(5)25-19(10(3)14(8)23-13(6)20)11(4)15-9(2)16(21)18(19,7)17(22)24-15/h8-12,14-15H,1-7H3 CMTSHPFXBUQFIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00069 C25H28O13 5.9 CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C InChI=1S/C25H28O13/c1-10-7-16(30)20-17(31)8-18(11(2)21(20)33-10)37-25-24(36-15(6)29)23(35-14(5)28)22(34-13(4)27)19(38-25)9-32-12(3)26/h7-8,19,22-25,31H,9H2,1-6H3 NWASWCGVBSEDJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00070 C19H16O9 5.99 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC)O)C(=O)O)C)C=O)O InChI=1S/C19H16O9/c1-7-4-11(21)9(5-20)16-12(7)19(25)28-17-10(6-26-3)14(22)13(18(23)24)8(2)15(17)27-16/h4-5,21-22H,6H2,1-3H3,(H,23,24) IJJZZLYYFYYEHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00071 C16H10O6 6 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C=O InChI=1S/C16H10O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-6,18-19H,1H3 MCPKJGRRWINKOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00072 C32H30O14 6 CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3 NFZJAYYORNVZNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00073 C17H16O7 6 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21) GODLCSLPZIBRMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00074 C29H36O9 6.03 CCCCCC(=O)CC1=C(C(=CC(=C1)O)O)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CC(=O)CCCCC InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-14-22(32)16-24(33)26(18)29(36)38-23-15-19(13-21(31)11-9-7-5-2)27(28(34)35)25(17-23)37-3/h14-17,32-33H,4-13H2,1-3H3,(H,34,35) DGXLEDCXMIJNPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00075 C22H16O12 6.04 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C=CC(=O)O)O)C(=O)O)C)C=O)O InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30) VEGGRTFDFMUBPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00076 C14H16O4 6.08 CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)O InChI=1S/C14H16O4/c1-2-3-4-5-11-7-9-6-10(15)8-12(16)13(9)14(17)18-11/h6-8,15-16H,2-5H2,1H3 FIMFRMRZGBUYMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isocoumarins and derivatives (CHEMONTID:0001890) NA (NA) NA (NA) NA (NA) +0419_00077 C25H32N2O4 6.17 CCC(C)C(C(=O)OCC(C(C)C)NC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 InChI=1S/C25H32N2O4/c1-5-18(4)22(27-24(29)20-14-10-7-11-15-20)25(30)31-16-21(17(2)3)26-23(28)19-12-8-6-9-13-19/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,28)(H,27,29) YYJRAGPDSYXARF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00078 C25H22O10 6.17 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)OC)O InChI=1S/C25H22O10/c1-11-5-14(26)8-19(33-4)22(11)25(32)35-16-7-13(3)21(18(28)10-16)24(31)34-15-6-12(2)20(23(29)30)17(27)9-15/h5-10,26-28H,1-4H3,(H,29,30) RLRCNRNYRSKNOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00079 C13H18O4 6.19 CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)O InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(17-2)8-11(14)12(9)13(15)16/h7-8,14H,3-6H2,1-2H3,(H,15,16) JWSADSZPLGCVPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00080 C25H22O10 6.2 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)OC)O)O InChI=1S/C25H22O10/c1-11-5-14(26)8-17(27)21(11)24(31)35-16-7-13(3)22(19(10-16)33-4)25(32)34-15-6-12(2)20(23(29)30)18(28)9-15/h5-10,26-28H,1-4H3,(H,29,30) BXLGBRLDRRZQKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00081 C18H16O7 6.23 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)C)C)OC InChI=1S/C18H16O7/c1-7-5-11(23-4)8(2)16-13(7)18(22)24-12-6-10(19)14(17(20)21)9(3)15(12)25-16/h5-6,19H,1-4H3,(H,20,21) IXEVSIMCIWOSQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00082 C25H32N2O4 6.25 CCC(C)C(C(=O)NC(COC(=O)C1=CC=CC=C1)C(C)C)NC(=O)C2=CC=CC=C2 InChI=1S/C25H32N2O4/c1-5-18(4)22(27-23(28)19-12-8-6-9-13-19)24(29)26-21(17(2)3)16-31-25(30)20-14-10-7-11-15-20/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,29)(H,27,28) CYKHBJCXJDXSPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0419_00083 C22H18O12 6.28 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)CCC(=O)O)O)C(=O)O)C)C=O)O InChI=1S/C22H18O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h5-6,24,28H,3-4,7H2,1-2H3,(H,25,26)(H,29,30) ROISWLBRDLJEFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00084 C15H12O4 6.34 CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC(=C3)O)C)O InChI=1S/C15H12O4/c1-7-3-10(17)14-11(4-7)19-12-6-9(16)5-8(2)13(12)15(14)18/h3-6,16-17H,1-2H3 PQFJZPPNZJSEGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00085 C19H18O8 6.35 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C=O)O InChI=1S/C19H18O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-7,21-22H,1-4H3,(H,23,24) DUIBXZLCROUOFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00086 C32H52O14 6.35 CC1C(CC(OC(=O)C(C(C(C(CC(OC(=O)C(C1O)C)CC(C)OC(=O)C)OC(=O)C)C)O)C)CC(C)OC(=O)C)OC(=O)C InChI=1S/C32H52O14/c1-15(41-21(7)33)11-25-13-27(43-23(9)35)17(3)29(37)20(6)32(40)46-26(12-16(2)42-22(8)34)14-28(44-24(10)36)18(4)30(38)19(5)31(39)45-25/h15-20,25-30,37-38H,11-14H2,1-10H3 CRDXHRLAQBVBTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Hexacarboxylic acids and derivatives (CHEMONTID:0002967) NA (NA) NA (NA) +0419_00087 C19H16O10 6.37 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C=O)OC InChI=1S/C19H16O10/c1-7-4-11(28-3)9(5-20)14(22)12(7)19(27)29-17-8(2)13(18(25)26)15(23)10(6-21)16(17)24/h4-6,22-24H,1-3H3,(H,25,26) KTZXEYGDCLLQMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00088 C15H10O4 6.39 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 LQGUBLBATBMXHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00089 C24H20O10 6.53 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)O InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30) ATQPZSQVWCPVGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00090 C21H36O5 6.53 CC(CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24) UYUDMGMNHAKPEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) Long-chain fatty alcohols (CHEMONTID:0002951) NA (NA) +0419_00091 C25H32O8 6.54 CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)O)CCCCC)O InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-19(32-3)20(15)25(31)33-23-18(27)13-16(11-9-7-5-2)21(22(23)28)24(29)30/h12-14,26-28H,4-11H2,1-3H3,(H,29,30) LPYVRTMCNJPGMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00092 C18H18O7 6.54 CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)OC)C)O InChI=1S/C18H18O7/c1-8-5-11(7-12(19)14(8)17(21)22)25-18(23)15-9(2)6-13(24-4)10(3)16(15)20/h5-7,19-20H,1-4H3,(H,21,22) GEZCJRBINSDUSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00093 C30H18O10 6.57 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3 MQSXZQXHIJMNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00094 C30H18O10 6.58 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4C)O)C(=O)C6=C(C5=O)C=C(C=C6O)O)O)O InChI=1S/C30H18O10/c1-9-3-12-20(14(32)4-9)29(39)24-18(36)8-17(35)22(26(24)27(12)37)19-10(2)5-15(33)23-25(19)28(38)13-6-11(31)7-16(34)21(13)30(23)40/h3-8,31-36H,1-2H3 ZYHXFTQSOKDEDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00095 C26H34O7 6.6 CCCCCC1=C(C(=CC(=C1)O)OC)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CCCCC InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(27)15-21(31-3)24(17)26(30)33-20-14-18(12-10-8-6-2)23(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29) ZACYDWHCNGMWPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00096 C15H23NO5 6.6 C[N+](C)(C)C(CCC1=CC(=C(C(=C1)OC)O)OC)C(=O)[O-] InChI=1S/C15H23NO5/c1-16(2,3)11(15(18)19)7-6-10-8-12(20-4)14(17)13(9-10)21-5/h8-9,11H,6-7H2,1-5H3,(H-,17,18,19) CQAXHXITAVOZSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0419_00097 C26H30O9 6.62 CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)O)CC(=O)CCCCC)C(=O)O2)O)C(=O)O InChI=1S/C26H30O9/c1-3-5-7-9-15(27)11-14-12-18(29)22(30)24-20(14)26(33)34-19-13-17(28)21(25(31)32)16(23(19)35-24)10-8-6-4-2/h12-13,28-30H,3-11H2,1-2H3,(H,31,32) BQHHNAPTXQOPBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00098 C20H16O6 6.71 COC1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)OC)OC2=O)O InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3 KXQKSBAGVQMQSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0419_00099 C21H36O5 6.72 CC1C(C(OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h17-19H,3-15H2,1-2H3,(H,23,24) SPGPUDJMXMJNCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00100 C20H20O7 6.73 CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C=O)O)C=O)O)C)OC InChI=1S/C20H20O7/c1-9-6-15(26-5)12(4)19(10(9)2)27-20(25)16-11(3)13(7-21)17(23)14(8-22)18(16)24/h6-8,23-24H,1-5H3 COJRBNIKTUZKMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00101 C18H16O9 6.74 CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C(=O)O)O)C)O)O)C=O)O InChI=1S/C18H16O9/c1-7-3-12(21)10(5-19)16(23)13(7)18(26)27-6-9-4-11(20)8(2)15(22)14(9)17(24)25/h3-5,20-23H,6H2,1-2H3,(H,24,25) AUHQGXIVPHNDEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00102 C26H32O8 6.74 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)O)CC(=O)CCCCC)O)C(=O)O InChI=1S/C26H32O8/c1-3-5-7-9-16-13-20(15-22(30)23(16)25(31)32)34-26(33)24-17(12-19(28)14-21(24)29)11-18(27)10-8-6-4-2/h12-15,28-30H,3-11H2,1-2H3,(H,31,32) VZPLPGICHZXOCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00103 C20H16O6 6.75 COC1=CC=CC=C1C(=C2C(=C(C(=O)O2)C3=CC=CC=C3)O)C(=O)OC InChI=1S/C20H16O6/c1-24-14-11-7-6-10-13(14)16(19(22)25-2)18-17(21)15(20(23)26-18)12-8-4-3-5-9-12/h3-11,21H,1-2H3 IWYVMUDIEOXASM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0419_00104 C29H32N2O4 6.82 CC(C)CC(C(=O)OCC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 InChI=1S/C29H32N2O4/c1-21(2)18-26(31-28(33)24-16-10-5-11-17-24)29(34)35-20-25(19-22-12-6-3-7-13-22)30-27(32)23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,30,32)(H,31,33) JOOSAYNHLJGJCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00105 C24H30O8 6.84 CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCC)O InChI=1S/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28) AAKHGLJWUOZNTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00106 C19H20O8 6.88 CC1=C(C(=C(C2=C1OC3(C2(C(=C(C(=O)C3)C(=O)C)O)C)OC)O)C(=O)C)O InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)15(24)13-16(7)27-19(26-5)6-10(22)11(8(2)20)17(25)18(13,19)4/h23-25H,6H2,1-5H3 TUENYOIQMXRNRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00107 C21H36O5 6.9 CC1C(C(OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h17-19H,3-15H2,1-2H3,(H,23,24) SPGPUDJMXMJNCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00108 C21H34O5 6.9 CC1=C(C(OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18H,3-15H2,1-2H3,(H,23,24) KYSXDEQQOVVLIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00109 C25H28O9 6.92 CCCC(=O)CC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CC(=O)CCC InChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31) QZZMDINWSWWNKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00110 C21H36O5 6.93 CC1=C(C(OC1=O)CCCCCCCCCCCCC(C)CO)C(=O)O InChI=1S/C21H36O5/c1-16(15-22)13-11-9-7-5-3-4-6-8-10-12-14-18-19(20(23)24)17(2)21(25)26-18/h16,18,22H,3-15H2,1-2H3,(H,23,24) FEGXSCTZZUZMJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) Long-chain fatty alcohols (CHEMONTID:0002951) NA (NA) +0419_00111 C16H14O5 6.94 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)OC InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3 QDLAGTHXVHQKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00112 C17H30O4 6.95 CCCCCCCCCCC1CC(C(C(=O)O1)C)C(=O)O InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-14-12-15(16(18)19)13(2)17(20)21-14/h13-15H,3-12H2,1-2H3,(H,18,19) SRMPRRDLILJEAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00113 C27H32O9 6.95 CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)OC)CC(=O)CCCCC)C(=O)O2)O)C(=O)O InChI=1S/C27H32O9/c1-4-6-8-10-16(28)12-15-13-19(34-3)23(30)25-21(15)27(33)35-20-14-18(29)22(26(31)32)17(24(20)36-25)11-9-7-5-2/h13-14,29-30H,4-12H2,1-3H3,(H,31,32) YFNNJORBJZUGCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00114 C17H14O8 6.99 CC1CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)OC(=O)C)C(=O)O1 InChI=1S/C17H14O8/c1-6-4-8-11(17(22)24-6)16(25-7(2)18)12-9(19)5-10(23-3)15(21)13(12)14(8)20/h5-6,20H,4H2,1-3H3 QADZPCBQWKTAKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00115 C9H8O5 7.07 CC1=CC(=C(C(=C1C(=O)O)O)C=O)O InChI=1S/C9H8O5/c1-4-2-6(11)5(3-10)8(12)7(4)9(13)14/h2-3,11-12H,1H3,(H,13,14) KCOOTJRKKIDHTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00116 C19H20O8 7.08 CC1=C(C(=C2C(=C1O)C3(C(=C(C(=O)CC3(O2)OC)C(=O)C)O)C)C(=O)C)O InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)16-13(15(7)24)18(4)17(25)11(8(2)20)10(22)6-19(18,26-5)27-16/h23-25H,6H2,1-5H3 HCSONWDCGXFSJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00117 C21H34O5 7.09 CC(=O)CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24) SKQHRBRVCRUFSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00118 C29H34O9 7.09 CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)O)OC InChI=1S/C29H34O9/c1-4-6-8-10-18(30)14-21-26(28(33)34)22(31)16-23(32)27(21)38-24-15-20(36-3)13-17-12-19(11-9-7-5-2)37-29(35)25(17)24/h12-13,15-16,31-32H,4-11,14H2,1-3H3,(H,33,34) NDOGMEJTCDSZAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isocoumarins and derivatives (CHEMONTID:0001890) NA (NA) NA (NA) NA (NA) +0419_00119 C22H26O5 7.09 CCCCCC1=C(C(=CC2=C1C3=C(C=C(C=C3O2)OC)CCC)O)C(=O)O InChI=1S/C22H26O5/c1-4-6-7-9-15-20(22(24)25)16(23)12-18-21(15)19-13(8-5-2)10-14(26-3)11-17(19)27-18/h10-12,23H,4-9H2,1-3H3,(H,24,25) IDZVZCQOFFSQMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00120 C21H34O5 7.09 CC(=O)CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24) SKQHRBRVCRUFSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00121 C20H22O7 7.09 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23) MIJKZXWOOXIEEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00122 C28H36O8 7.1 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCCCC)OC)C(=O)O InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32) UANVCGQMNRTKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00123 C21H34O5 7.1 CC(=O)CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24) SKQHRBRVCRUFSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00124 C22H26O8 7.11 CCCC1=CC(=C(C(=C1C(=O)OC)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)O InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(24)10-13(8-6-2)18(19(20)25)21(26)29-4/h9-11,23-25H,5-8H2,1-4H3 CFXORXZRGPTGFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00125 C26H30O8 7.13 CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31) KVTYWHGIZSCFLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00126 C19H18O8 7.14 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3 YLOYKYXNDHOHHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00127 C19H20O7 7.26 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)O)C)O)C)OC InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23) NMKBRSYSHBPUPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00128 C18H14O10 7.26 CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C(=O)O)O)C=O)O)O)C=O)O InChI=1S/C18H14O10/c1-7-2-11(21)9(4-19)15(23)13(7)18(27)28-6-8-3-12(22)10(5-20)16(24)14(8)17(25)26/h2-5,21-24H,6H2,1H3,(H,25,26) QAUIZXBSXBMGCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00129 C24H23NO6 7.26 CC(C)CC(C(=O)O)NC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3 InChI=1S/C24H23NO6/c1-14(2)13-17(23(28)29)25-22(27)19(16-11-7-4-8-12-16)21-20(26)18(24(30)31-21)15-9-5-3-6-10-15/h3-12,14,17,26H,13H2,1-2H3,(H,25,27)(H,28,29) ZQLBONJLBKDOLE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00130 C20H18O9 7.27 CCOCC1=C(C(=C(C2=C1OC(=O)C3=C(O2)C(=C(C=C3C)O)C=O)C)C(=O)O)O InChI=1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25) SPLUKWYWJOQKMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00131 C27H21NO6 7.27 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=C2C(=C(C(=O)O2)C3=CC=CC=C3)O)C4=CC=CC=C4 InChI=1S/C27H21NO6/c29-23-21(18-12-6-2-7-13-18)27(33)34-24(23)22(19-14-8-3-9-15-19)25(30)28-20(26(31)32)16-17-10-4-1-5-11-17/h1-15,20,29H,16H2,(H,28,30)(H,31,32) XTLHEUFWRQKNNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00132 C18H16O7 7.27 CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3 WEYVVCKOOFYHRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00133 C24H30O7 7.28 CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29) BEFYPHLCGVCBFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00134 C25H30O8 7.28 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCC)O)C(=O)O InChI=1S/C25H30O8/c1-4-6-7-9-15-11-19(14-20(27)22(15)24(29)30)33-25(31)23-16(10-17(26)8-5-2)12-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30) PKLMGLZTAHCGBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00135 C20H16O10 7.28 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C)O)C(=O)O)C)C=O)O InChI=1S/C20H16O10/c1-7-4-12(23)10(5-21)17-13(7)20(27)30-18-11(6-28-9(3)22)15(24)14(19(25)26)8(2)16(18)29-17/h4-5,23-24H,6H2,1-3H3,(H,25,26) SKXNIRUDASOCCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00136 C25H30O8 7.31 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CCC(=O)CC)O)C(=O)O InChI=1S/C25H30O8/c1-4-6-7-8-15-12-19(14-20(27)22(15)24(29)30)33-25(31)23-16(9-10-17(26)5-2)11-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30) UCYIOAVHQGSYLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00137 C21H24O7 7.33 CCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC InChI=1S/C21H24O7/c1-4-6-12-9-15(11-16(22)18(12)20(24)25)28-21(26)19-13(7-5-2)8-14(27-3)10-17(19)23/h8-11,22-23H,4-7H2,1-3H3,(H,24,25) FSRDIJIAQPSMMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00138 C25H30O8 7.36 CCCCCC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)CCCCC)O)OC InChI=1S/C25H30O8/c1-4-6-8-10-14-12-17(31-3)21(27)23-19(14)25(30)32-18-13-16(26)20(24(28)29)15(22(18)33-23)11-9-7-5-2/h12-13,26-27H,4-11H2,1-3H3,(H,28,29) VZPSCITXDMDLDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00139 C14H12O3 7.4 CC1=CC(=C2C(=C1)OC3=C2C(=CC(=C3)O)C)O InChI=1S/C14H12O3/c1-7-3-10(16)14-11(4-7)17-12-6-9(15)5-8(2)13(12)14/h3-6,15-16H,1-2H3 AXWZWBNCJWJORZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00140 C18H16O7 7.45 CC1=C(C(=C(C2=C1OC3=CC(=C(C(=O)C32C)C(=O)C)O)O)C(=O)C)O InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)15(23)13-16(6)25-10-5-9(21)11(7(2)19)17(24)18(10,13)4/h5,21-23H,1-4H3 GRIDHCOCFJSWSY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00141 C17H32O4 7.45 CCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21) CADNMISJDLVPCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0419_00142 C17H30O4 7.46 CCCCCCCCCCCC1C(C(C(=O)O1)C)C(=O)O InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(16(18)19)13(2)17(20)21-14/h13-15H,3-12H2,1-2H3,(H,18,19) PKXAQFKGSXYQJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00143 C20H36O6 7.46 CCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)C(=O)O InChI=1S/C20H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19(23)24)17(20(25)26)15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)(H,23,24)(H,25,26) YBZIIVKQVVKTTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0419_00144 C23H28O7 7.47 CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC InChI=1S/C23H28O7/c1-4-6-7-9-15-10-16(29-3)12-19(25)21(15)23(28)30-17-11-14(8-5-2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27) QXDIHIOKSGGXLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00145 C25H30O7 7.48 CCCCCC1=CC(=O)C=C(C12C3=C(C=C(C(=C3CCCCC)C(=O)O)O)OC2=O)OC InChI=1S/C25H30O7/c1-4-6-8-10-15-12-16(26)13-20(31-3)25(15)22-17(11-9-7-5-2)21(23(28)29)18(27)14-19(22)32-24(25)30/h12-14,27H,4-11H2,1-3H3,(H,28,29) LOGCRVAWKCZXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0419_00146 C19H14O5 7.49 COC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3 InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3 OMZRMXULWNMRAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00147 C27H36O7 7.52 CCCCCC1=C(C(=CC(=C1)OC)OC)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CCCCC InChI=1S/C27H36O7/c1-6-8-10-12-18-15-21(17-22(32-4)24(18)26(28)29)34-27(30)25-19(13-11-9-7-2)14-20(31-3)16-23(25)33-5/h14-17H,6-13H2,1-5H3,(H,28,29) FNJKTDQIJKLZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00148 C28H32O9 7.64 CCCCCC(=O)CC1=C2C(=CC(=C1)O)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34) ZDIOCINAHISORH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00149 C18H10O4 7.64 C1=CC=C(C=C1)C2=C3C(=C(C(=O)O3)C4=CC=CC=C4)OC2=O InChI=1S/C18H10O4/c19-17-13(11-7-3-1-4-8-11)15-16(22-17)14(18(20)21-15)12-9-5-2-6-10-12/h1-10H KQTXUHHOWJUFOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00150 C28H23NO6 7.65 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(=C2C(=C(C(=O)O2)C3=CC=CC=C3)O)C4=CC=CC=C4 InChI=1S/C28H23NO6/c1-34-27(32)21(17-18-11-5-2-6-12-18)29-26(31)23(20-15-9-4-10-16-20)25-24(30)22(28(33)35-25)19-13-7-3-8-14-19/h2-16,21,30H,17H2,1H3,(H,29,31) DKDGWAKCXBFTMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00151 C18H10O5 7.68 C1=CC=C(C=C1)C2=C(C(=C3C4=CC=CC=C4OC3=O)OC2=O)O InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H CGRCGRBHNKRILW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) NA (NA) NA (NA) NA (NA) +0419_00152 C26H24O10 7.74 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OC)O)O)O)OC InChI=1S/C26H24O10/c1-12-6-15(33-4)9-18(27)22(12)25(31)36-17-8-14(3)23(20(29)11-17)26(32)35-16-7-13(2)21(19(28)10-16)24(30)34-5/h6-11,27-29H,1-5H3 HTOPMCGBOADATG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00153 C25H25NO6 7.82 CC(C)CC(C(=O)OC)NC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3 InChI=1S/C25H25NO6/c1-15(2)14-18(24(29)31-3)26-23(28)20(17-12-8-5-9-13-17)22-21(27)19(25(30)32-22)16-10-6-4-7-11-16/h4-13,15,18,27H,14H2,1-3H3,(H,26,28) IBSRGCBHIASQMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00154 C22H42O5 7.83 CCC(C)CC(C)C(C(C)C(=O)OC(C(C)CC(C)CC)C(C)C(=O)O)O InChI=1S/C22H42O5/c1-9-13(3)11-15(5)19(23)17(7)22(26)27-20(18(8)21(24)25)16(6)12-14(4)10-2/h13-20,23H,9-12H2,1-8H3,(H,24,25) ZQEUMOKDJCSNHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) 3-(3-hydroxyalkanoyloxy)alkanoic acids (CHEMONTID:0001463) NA (NA) +0419_00155 C22H26O8 7.83 CCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)OC InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26) CPHXGYQLOSNELY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00156 C21H22O8 7.84 CC1=C(C(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC)O)C)O)C=O)O)C InChI=1S/C21H22O8/c1-8-10(3)16(23)13(7-22)18(25)15(8)21(27)29-19-11(4)9(2)14(20(26)28-6)17(24)12(19)5/h7,23-25H,1-6H3 UHFZDRSLNDPMRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00157 C19H32O4 7.88 CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21) WZYZDHVPSZCEEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00158 C30H48O3 7.89 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33) WCGUUGGRBIKTOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0419_00159 C19H34O4 8 CC1C(C(OC1=O)CCCCCCCCCC(C)(C)C)C(=O)O InChI=1S/C19H34O4/c1-14-16(17(20)21)15(23-18(14)22)12-10-8-6-5-7-9-11-13-19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,21) NRFWTRPHJATQOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00160 C21H38O6 8 CCCCCCCCCCCCCCC(C(CC(=O)O)C(=O)O)C(=O)OC InChI=1S/C21H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21(26)27-2)18(20(24)25)16-19(22)23/h17-18H,3-16H2,1-2H3,(H,22,23)(H,24,25) LGCPAGYPUFWEBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0419_00161 C19H34O4 8 CCCCCCCCCCCCCC1C(C(C(=O)O1)C)C(=O)O InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h15-17H,3-14H2,1-2H3,(H,20,21) WLGALFYTFVOQPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) diff --git a/processed_data/0419/0419_rtdata_isomeric_success.tsv b/processed_data/0419/0419_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..9d1ea3914 --- /dev/null +++ b/processed_data/0419/0419_rtdata_isomeric_success.tsv @@ -0,0 +1,162 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0419_00001 C6H14O6 0.28 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00002 C7H16O7 0.28 C([C@H]([C@H](C([C@@H]([C@@H](CO)O)O)O)O)O)O InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1 OXQKEKGBFMQTML-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00003 C11H19NO6 0.4 COC1=C(C[C@](CC1=O)(CO)O)NC(CO)CO InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1 VVTDHOIRNPCGTH-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00004 C13H22N2O6 0.46 COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)N)CO InChI=1S/C13H22N2O6/c1-21-12-9(4-13(20,7-17)5-10(12)18)15-8(6-16)2-3-11(14)19/h8,15-17,20H,2-7H2,1H3,(H2,14,19) BVWBDCIYHWDCRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00005 C4H4O4 0.46 C(=CC(=O)O)C(=O)O InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8) VZCYOOQTPOCHFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0419_00006 C13H21NO7 0.53 COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)O)CO InChI=1S/C13H21NO7/c1-21-12-9(4-13(20,7-16)5-10(12)17)14-8(6-15)2-3-11(18)19/h8,14-16,20H,2-7H2,1H3,(H,18,19) AOLLRBVQJZTTPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0419_00007 C9H10O4 2.35 CC1=CC(=CC(=C1C(=O)O)OC)O InChI=1S/C9H10O4/c1-5-3-6(10)4-7(13-2)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12) HKYUPCAKFRQXJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) O-methoxybenzoic acids and derivatives (CHEMONTID:0002345) +0419_00008 C8H10O2 3.25 CC1=CC(=C(C(=C1)O)C)O InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3 GHVHDYYKJYXFGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) Xylenols (CHEMONTID:0004212) p-Xylenols (CHEMONTID:0004215) +0419_00009 C8H8O4 3.41 CC1=CC(=CC(=C1C(=O)O)O)O InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12) AMKYESDOVDKZKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00010 C8H8O4 3.77 CC(=O)C1=C(C=C(C=C1O)O)O InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3 XLEYFDVVXLMULC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0419_00011 C14H8O6 3.87 CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=O)C3=O)O InChI=1S/C14H8O6/c1-5-2-7(15)12-10(20-5)3-6-11(14(12)19)8(16)4-9(17)13(6)18/h2-4,16,19H,1H3 NPUXQAACUNUHIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) Naphthopyranones (CHEMONTID:0001641) NA (NA) NA (NA) +0419_00012 C16H10O7 3.95 CC1=CC(=C2C3=C(C=C(C4=C3COC4=O)O)OC2=C1C(=O)O)O InChI=1S/C16H10O7/c1-5-2-7(17)13-12-6-4-22-16(21)11(6)8(18)3-9(12)23-14(13)10(5)15(19)20/h2-3,17-18H,4H2,1H3,(H,19,20) QZYZPZAPRHESDA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00013 C9H12O2 3.97 CCCC1=CC(=CC(=C1)O)O InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3 FRNQLQRBNSSJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0419_00014 C9H10O4 3.99 CC1=CC(=C(C(=C1C(=O)O)O)C)O InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13) VHNLJRRECIZZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00015 C19H22O10 4 CC1=CC(=O)C2=C(C(=C(C=C2O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C)C)O InChI=1S/C19H22O10/c1-7-4-10(22)14-12(26-7)5-11(8(2)15(14)23)28-19-18(27-9(3)21)17(25)16(24)13(6-20)29-19/h4-5,13,16-20,23-25H,6H2,1-3H3/t13-,16-,17+,18-,19-/m1/s1 LBPJJBJKHHBVBI-LQDZTQBFSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00016 C16H12O7 4.01 CC1=CC(=C2C3=C(C=C(C(=C3C)C(=O)O)O)OC2=C1C(=O)O)O InChI=1S/C16H12O7/c1-5-3-7(17)13-12-6(2)11(16(21)22)8(18)4-9(12)23-14(13)10(5)15(19)20/h3-4,17-18H,1-2H3,(H,19,20)(H,21,22) ZVWOMGLVQVBJQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00017 C16H12O6 4.03 CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C(=CC(=O)C3=O)OC InChI=1S/C16H12O6/c1-7-4-9(17)14-12(22-7)5-8-13(16(14)21-3)11(20-2)6-10(18)15(8)19/h4-6H,1-3H3 GESAVORGYOGKOW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthopyrans (CHEMONTID:0001640) Naphthopyranones (CHEMONTID:0001641) NA (NA) NA (NA) +0419_00018 C4H10O4 4.05 C([C@H]([C@H](CO)O)O)O InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0419_00019 C19H14O10 4.06 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)O[C@@H]4O)C=O)OC InChI=1S/C19H14O10/c1-6-3-9(26-2)7(4-20)14-10(6)17(23)28-15-8(5-21)13(22)11-12(16(15)27-14)19(25)29-18(11)24/h3-4,19,21-22,25H,5H2,1-2H3/t19-/m0/s1 FYPCEUKJORJHDL-IBGZPJMESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00020 C10H12O4 4.15 CCCC1=C(C(=CC(=C1)O)O)C(=O)O InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14) RIVVNGIVVYEIRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00021 C20H24O10 4.2 CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O)C InChI=1S/C20H24O10/c1-7-5-11(22)13-14(23)8(2)18(9(3)19(13)28-7)30-20-17(26)16(25)15(24)12(29-20)6-27-10(4)21/h5,12,15-17,20,23-26H,6H2,1-4H3/t12-,15-,16+,17-,20+/m1/s1 NJRLDXGREKHXGV-IVABAYMNSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00022 C15H12O8 4.23 C[C@H]1C(C2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)C(=O)O1)O InChI=1S/C15H12O8/c1-4-11(17)9-10(15(21)23-4)13(19)7-5(16)3-6(22-2)12(18)8(7)14(9)20/h3-4,11,17,19-20H,1-2H3/t4-,11?/m0/s1 GCBHOICQSSPFDL-DPVSGNNYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00023 C15H10O8 4.27 CC(=O)C1=C(C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)O)O InChI=1S/C15H10O8/c1-4(16)14-12(20)8-6(23-14)3-5-7(10(8)18)11(19)13(21)15(22-2)9(5)17/h3,18,20-21H,1-2H3 UTQKMDZXMYCSCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthofurans (CHEMONTID:0001634) NA (NA) NA (NA) NA (NA) +0419_00024 C8H8O3 4.33 CC1=CC(=C(C(=C1)O)C=O)O InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3 JASONGFGOLHLGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Aldehydes (CHEMONTID:0000124) Aryl-aldehydes (CHEMONTID:0003213) +0419_00025 C15H12O7 4.41 C[C@H]1CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)C(=O)O1 InChI=1S/C15H12O7/c1-5-3-6-9(15(20)22-5)14(19)10-7(16)4-8(21-2)13(18)11(10)12(6)17/h4-5,17,19H,3H2,1-2H3/t5-/m0/s1 VZSFONBSZGFZNH-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00026 C15H10O9 4.5 CC(=O)C1=C(C2=C(O1)C(=O)C3=C(C2=O)C(=C(C(=C3O)OC)O)O)O InChI=1S/C15H10O9/c1-3(16)13-11(21)6-7(17)4-5(9(19)14(6)24-13)10(20)15(23-2)12(22)8(4)18/h18,20-22H,1-2H3 MJLVJBPJKONLFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Naphthofurans (CHEMONTID:0001634) NA (NA) NA (NA) NA (NA) +0419_00027 C18H12O10 4.51 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)O[C@@H]4O)C=O)O InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3/t18-/m0/s1 QQTKVXCQLZIJPP-SFHVURJKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00028 C13H14O4 4.51 CC1=CC(=O)C2=C(C=C(C(=C2O1)C)OC)OC InChI=1S/C13H14O4/c1-7-5-9(14)12-11(16-4)6-10(15-3)8(2)13(12)17-7/h5-6H,1-4H3 MJHNYZONVLZSNB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00029 C20H22O10 4.52 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OCC(C(CO)O)O)O)O)O InChI=1S/C20H22O10/c1-9-3-11(22)5-13(23)18(9)20(28)30-12-4-10(2)17(14(24)6-12)19(27)29-8-16(26)15(25)7-21/h3-6,15-16,21-26H,7-8H2,1-2H3 BUBBEHCXSMCYNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00030 C11H10O4 4.52 CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3 HMAUJNAGOIPKDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00031 C18H8O8 4.52 C1=C2C(=CC(=C1O)O)OC3=C2C(=O)C4=C(C3=O)C5=CC(=C(C=C5O4)O)O InChI=1S/C18H8O8/c19-7-1-5-11(3-9(7)21)25-17-13(5)15(23)18-14(16(17)24)6-2-8(20)10(22)4-12(6)26-18/h1-4,19-22H PDICCECAPKBDBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) NA (NA) NA (NA) NA (NA) +0419_00032 C16H10O7 4.58 CC1=CC(=CC2=C1C(=O)OC3=C(O2)C(=C4C(=C3)COC4=O)O)O InChI=1S/C16H10O7/c1-6-2-8(17)4-9-11(6)16(20)23-10-3-7-5-21-15(19)12(7)13(18)14(10)22-9/h2-4,17-18H,5H2,1H3 LPUOVEFMUOQBFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00033 C9H10O4 4.63 CC1=CC(=CC(=C1C(=O)OC)O)O InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3 NCCWCZLEACWJIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00034 C11H10O4 4.65 CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3 XSSGQRFNGHRFBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00035 C16H14O8 4.69 CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)O)O)O InChI=1S/C16H14O8/c1-6-3-8(5-9(17)11(6)15(21)22)24-16(23)12-7(2)4-10(18)13(19)14(12)20/h3-5,17-20H,1-2H3,(H,21,22) UPYXFRYWDWLGRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00036 C21H24O11 4.69 CC1=CC(=O)C2=C(C(=C(C=C2O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)OC(=O)C)C)O InChI=1S/C21H24O11/c1-8-5-12(24)16-14(29-8)6-13(9(2)17(16)25)31-21-20(30-11(4)23)19(27)18(26)15(32-21)7-28-10(3)22/h5-6,15,18-21,25-27H,7H2,1-4H3/t15-,18-,19+,20-,21-/m1/s1 AFCAWRFTSGVRQA-CMWLGVBASA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00037 C15H10O5 4.72 CC1=CC(=CC2=C1C3=C(O2)C=C(C4=C3COC4=O)O)O InChI=1S/C15H10O5/c1-6-2-7(16)3-10-12(6)14-8-5-19-15(18)13(8)9(17)4-11(14)20-10/h2-4,16-17H,5H2,1H3 OOXFLIUVCWLPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00038 C16H12O6 4.75 CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O InChI=1S/C16H12O6/c1-6-3-9(17)12-13(14(6)19)15(20)8-4-7(22-2)5-10(18)11(8)16(12)21/h3-5,17-19H,1-2H3 VUUONEBXXLQCQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00039 C15H10O6 4.9 C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2 YQHZABGPIPECSQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00040 C19H14O9 4.93 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3 SKCUFZLDTAYNBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00041 C18H18O8 5.06 CC1=CC(=O)C2=C(C(=C(C=C2O1)OC)COC(=O)/C=C(/C)\CC(=O)O)O InChI=1S/C18H18O8/c1-9(4-15(20)21)5-16(22)25-8-11-13(24-3)7-14-17(18(11)23)12(19)6-10(2)26-14/h5-7,23H,4,8H2,1-3H3,(H,20,21)/b9-5- JSLBEJMNMZJONS-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Chromones (CHEMONTID:0000144) NA (NA) +0419_00042 C15H8O7 5.06 C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22) ZJXVNNSMRGTDBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0419_00043 C28H32N4O4 5.08 C1C[C@@H]2C(=O)N[C@H](CC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(=O)N2C1)C4=CC=CC=C4)C5=CC=CC=C5 InChI=1S/C28H32N4O4/c33-25-17-21(19-9-3-1-4-10-19)29-27(35)23-13-7-16-32(23)26(34)18-22(20-11-5-2-6-12-20)30-28(36)24-14-8-15-31(24)25/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,35)(H,30,36)/t21-,22-,23-,24+/m1/s1 PDLPVRYEPINIBU-YCAMKHIRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolactams (CHEMONTID:0000064) NA (NA) NA (NA) NA (NA) +0419_00044 C18H14O8 5.08 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22) FUCWJKJZOHOLEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00045 C10H12O4 5.09 CC1=CC(=C(C(=C1C(=O)O)O)C)OC InChI=1S/C10H12O4/c1-5-4-7(14-3)6(2)9(11)8(5)10(12)13/h4,11H,1-3H3,(H,12,13) BMRVNZZVDSVOQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00046 C14H10O5 5.15 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3 AQZHBCDRWFMXIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00047 C12H16O4 5.24 CCCCCC1=C(C(=CC(=C1)O)O)C(=O)O InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16) SXFKFRRXJUJGSS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00048 C11H14O4 5.25 CCCC1=C(C(=CC(=C1)OC)O)C(=O)O InChI=1S/C11H14O4/c1-3-4-7-5-8(15-2)6-9(12)10(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14) INFZQUVBGYTJCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00049 C17H26O5 5.25 C[C@@H]1[C@H](O[C@@]2([C@@H]([C@@H]1O)C)[C@H]([C@@H]3[C@H](C(=O)[C@]2(C(=O)O3)C)C)C)C InChI=1S/C17H26O5/c1-7-11(5)22-17(9(3)12(7)18)10(4)13-8(2)14(19)16(17,6)15(20)21-13/h7-13,18H,1-6H3/t7-,8-,9-,10+,11-,12-,13+,16+,17+/m1/s1 CVPVGRDVSAJUQS-ACMDZGLISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00050 C17H14O7 5.27 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)C)C)O InChI=1S/C17H14O7/c1-6-4-9(18)7(2)15-12(6)17(22)23-11-5-10(19)13(16(20)21)8(3)14(11)24-15/h4-5,18-19H,1-3H3,(H,20,21) HETZRHDDRHBPKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00051 C16H14O7 5.3 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21) HEMSJKZDHNSSEW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00052 C18H12O9 5.3 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)O[C@@H]4O)C=O)O InChI=1S/C18H12O9/c1-5-3-8(20)7(4-19)14-9(5)16(22)26-13-6(2)12(21)10-11(15(13)25-14)18(24)27-17(10)23/h3-4,18,20-21,24H,1-2H3/t18-/m0/s1 IEVVSJFLBYOUCJ-SFHVURJKSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00053 C16H12O6 5.36 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO InChI=1S/C16H12O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-5,17-19H,6H2,1H3 WJXSYUJKJSOJOG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00054 C10H12O4 5.37 CC1=CC(=C(C(=C1C(=O)OC)O)C)O InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3 UUQHKWMIDYRWHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00055 C23H26O12 5.4 CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)OC(=O)C)OC(=O)C)C InChI=1S/C23H26O12/c1-9-6-14(27)18-15(28)7-16(10(2)20(18)31-9)34-23-22(33-13(5)26)21(32-12(4)25)19(29)17(35-23)8-30-11(3)24/h6-7,17,19,21-23,28-29H,8H2,1-5H3/t17-,19-,21+,22-,23-/m1/s1 HXFPGPYWXWMQDG-FVEADEHFSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00056 C10H10O5 5.48 CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3 PXFMUVDLJWXOQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00057 C18H14O9 5.62 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O InChI=1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24) VOXMONAUSQZPTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00058 C24H20O11 5.63 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=C(C=C(C(=C3C)C(=O)O)O)O)O)O)O InChI=1S/C24H20O11/c1-9-4-12(25)6-14(26)18(9)23(32)34-13-5-10(2)19(15(27)7-13)24(33)35-21-11(3)20(22(30)31)16(28)8-17(21)29/h4-8,25-29H,1-3H3,(H,30,31) PXEWPVIKVBSHLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00059 C18H16O7 5.63 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C)O InChI=1S/C18H16O7/c1-6-5-10(19)7(2)14-11(6)18(23)25-16-9(4)13(20)12(17(21)22)8(3)15(16)24-14/h5,19-20H,1-4H3,(H,21,22) CFPLLTGKDKZLIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00060 C19H18O7 5.63 CC1=CC(=C2C3=C(C(=C(C=C3OC2=C1C(=O)O)OC)C(=O)OC)C)OC InChI=1S/C19H18O7/c1-8-6-10(23-3)16-14-9(2)15(19(22)25-5)11(24-4)7-12(14)26-17(16)13(8)18(20)21/h6-7H,1-5H3,(H,20,21) WBIQYHZEYQDKCL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00061 C18H32O5 5.65 CC1CCCCCCCCCCC(C(C(C=CC(=O)O1)O)O)O InChI=1S/C18H32O5/c1-14-10-8-6-4-2-3-5-7-9-11-15(19)18(22)16(20)12-13-17(21)23-14/h12-16,18-20,22H,2-11H2,1H3 KECCBFYFEOTIBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0419_00062 C18H16O9 5.7 CC1=CC(=C(C(=C1OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O)O)C=O)O InChI=1S/C18H16O9/c1-7-5-11(26-3)13(17(23)24)15(22)12(7)18(25)27-16-8(2)4-10(20)9(6-19)14(16)21/h4-6,20-22H,1-3H3,(H,23,24) JQHGZAGUFPJYDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00063 C18H12O4 5.71 C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H HZKFHDXTSAYOSN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Cyclic ketones (CHEMONTID:0003487) +0419_00064 C16H10O7 5.72 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O InChI=1S/C16H10O7/c1-23-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-6(16(21)22)3-10(12)17/h2-5,17-18H,1H3,(H,21,22) HEULMVKOOVHXME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthracenecarboxylic acids and derivatives (CHEMONTID:0001911) Anthracenecarboxylic acids (CHEMONTID:0002424) NA (NA) +0419_00065 C19H18O9 5.79 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25) WCWYEXBIRSSVGF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00066 C19H16O11 5.8 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C(=O)O)OC InChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27) RNCJCRJLNVRWJX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00067 C25H30O9 5.81 CCCCCC1=C(C(=CC(=C1OC2=CC(=CC3=C2C(=O)OC3(CCCC)O)OC)O)O)C(=O)O InChI=1S/C25H30O9/c1-4-6-8-9-15-20(23(28)29)17(26)13-18(27)22(15)33-19-12-14(32-3)11-16-21(19)24(30)34-25(16,31)10-7-5-2/h11-13,26-27,31H,4-10H2,1-3H3,(H,28,29) BWRBGHBJBQFFAW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0419_00068 C19H28O6 5.84 CC1C(OC2(C(C3C(C(=O)C2(C(=O)O3)C)C)C)C(C1OC(=O)C)C)C InChI=1S/C19H28O6/c1-8-12(5)25-19(10(3)14(8)23-13(6)20)11(4)15-9(2)16(21)18(19,7)17(22)24-15/h8-12,14-15H,1-7H3 CMTSHPFXBUQFIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00069 C25H28O13 5.9 CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C InChI=1S/C25H28O13/c1-10-7-16(30)20-17(31)8-18(11(2)21(20)33-10)37-25-24(36-15(6)29)23(35-14(5)28)22(34-13(4)27)19(38-25)9-32-12(3)26/h7-8,19,22-25,31H,9H2,1-6H3/t19-,22-,23+,24-,25-/m1/s1 NWASWCGVBSEDJX-HYOIWIKGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) Phenolic glycosides (CHEMONTID:0004165) +0419_00070 C19H16O9 5.99 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC)O)C(=O)O)C)C=O)O InChI=1S/C19H16O9/c1-7-4-11(21)9(5-20)16-12(7)19(25)28-17-10(6-26-3)14(22)13(18(23)24)8(2)15(17)27-16/h4-5,21-22H,6H2,1-3H3,(H,23,24) IJJZZLYYFYYEHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00071 C16H10O6 6 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C=O InChI=1S/C16H10O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-6,18-19H,1H3 MCPKJGRRWINKOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00072 C32H30O14 6 C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@@H]1O)C(=O)OC)O InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27-,28+,31+,32+/m0/s1 NFZJAYYORNVZNI-XIBZLVKHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00073 C17H16O7 6 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21) GODLCSLPZIBRMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00074 C29H36O9 6.03 CCCCCC(=O)CC1=C(C(=CC(=C1)O)O)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CC(=O)CCCCC InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-14-22(32)16-24(33)26(18)29(36)38-23-15-19(13-21(31)11-9-7-5-2)27(28(34)35)25(17-23)37-3/h14-17,32-33H,4-13H2,1-3H3,(H,34,35) DGXLEDCXMIJNPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00075 C22H16O12 6.04 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)/C=C/C(=O)O)O)C(=O)O)C)C=O)O InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+ VEGGRTFDFMUBPD-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00076 C14H16O4 6.08 CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)O InChI=1S/C14H16O4/c1-2-3-4-5-11-7-9-6-10(15)8-12(16)13(9)14(17)18-11/h6-8,15-16H,2-5H2,1H3 FIMFRMRZGBUYMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isocoumarins and derivatives (CHEMONTID:0001890) NA (NA) NA (NA) NA (NA) +0419_00077 C25H32N2O4 6.17 CC[C@@H](C)[C@@H](C(=O)OC[C@H](C(C)C)NC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 InChI=1S/C25H32N2O4/c1-5-18(4)22(27-24(29)20-14-10-7-11-15-20)25(30)31-16-21(17(2)3)26-23(28)19-12-8-6-9-13-19/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,28)(H,27,29)/t18-,21-,22+/m1/s1 YYJRAGPDSYXARF-QIJUGHKUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00078 C25H22O10 6.17 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)OC)O InChI=1S/C25H22O10/c1-11-5-14(26)8-19(33-4)22(11)25(32)35-16-7-13(3)21(18(28)10-16)24(31)34-15-6-12(2)20(23(29)30)17(27)9-15/h5-10,26-28H,1-4H3,(H,29,30) RLRCNRNYRSKNOO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00079 C13H18O4 6.19 CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)O InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(17-2)8-11(14)12(9)13(15)16/h7-8,14H,3-6H2,1-2H3,(H,15,16) JWSADSZPLGCVPA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) P-methoxybenzoic acids and derivatives (CHEMONTID:0002346) +0419_00080 C25H22O10 6.2 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)OC)O)O InChI=1S/C25H22O10/c1-11-5-14(26)8-17(27)21(11)24(31)35-16-7-13(3)22(19(10-16)33-4)25(32)34-15-6-12(2)20(23(29)30)18(28)9-15/h5-10,26-28H,1-4H3,(H,29,30) BXLGBRLDRRZQKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00081 C18H16O7 6.23 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)C)C)OC InChI=1S/C18H16O7/c1-7-5-11(23-4)8(2)16-13(7)18(22)24-12-6-10(19)14(17(20)21)9(3)15(12)25-16/h5-6,19H,1-4H3,(H,20,21) IXEVSIMCIWOSQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00082 C25H32N2O4 6.25 CCC(C)C(C(=O)NC(COC(=O)C1=CC=CC=C1)C(C)C)NC(=O)C2=CC=CC=C2 InChI=1S/C25H32N2O4/c1-5-18(4)22(27-23(28)19-12-8-6-9-13-19)24(29)26-21(17(2)3)16-31-25(30)20-14-10-7-11-15-20/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,29)(H,27,28) CYKHBJCXJDXSPW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0419_00083 C22H18O12 6.28 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)CCC(=O)O)O)C(=O)O)C)C=O)O InChI=1S/C22H18O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h5-6,24,28H,3-4,7H2,1-2H3,(H,25,26)(H,29,30) ROISWLBRDLJEFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00084 C15H12O4 6.34 CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC(=C3)O)C)O InChI=1S/C15H12O4/c1-7-3-10(17)14-11(4-7)19-12-6-9(16)5-8(2)13(12)15(14)18/h3-6,16-17H,1-2H3 PQFJZPPNZJSEGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00085 C19H18O8 6.35 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C=O)O InChI=1S/C19H18O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-7,21-22H,1-4H3,(H,23,24) DUIBXZLCROUOFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00086 C32H52O14 6.35 C[C@H]1[C@H](C[C@@H](OC(=O)[C@@H]([C@@H]([C@H]([C@H](C[C@@H](OC(=O)[C@@H]([C@@H]1O)C)C[C@H](C)OC(=O)C)OC(=O)C)C)O)C)C[C@H](C)OC(=O)C)OC(=O)C InChI=1S/C32H52O14/c1-15(41-21(7)33)11-25-13-27(43-23(9)35)17(3)29(37)20(6)32(40)46-26(12-16(2)42-22(8)34)14-28(44-24(10)36)18(4)30(38)19(5)31(39)45-25/h15-20,25-30,37-38H,11-14H2,1-10H3/t15-,16-,17-,18-,19+,20+,25-,26-,27-,28-,29+,30+/m0/s1 CRDXHRLAQBVBTF-FRVZUBCFSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Hexacarboxylic acids and derivatives (CHEMONTID:0002967) NA (NA) NA (NA) +0419_00087 C19H16O10 6.37 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C(=O)O)O)C=O)O)O)C=O)OC InChI=1S/C19H16O10/c1-7-4-11(28-3)9(5-20)14(22)12(7)19(27)29-17-8(2)13(18(25)26)15(23)10(6-21)16(17)24/h4-6,22-24H,1-3H3,(H,25,26) KTZXEYGDCLLQMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00088 C15H10O4 6.39 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 LQGUBLBATBMXHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) NA (NA) NA (NA) +0419_00089 C24H20O10 6.53 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)O InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30) ATQPZSQVWCPVGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00090 C21H36O5 6.53 C[C@H](CCCCCCCCCCCCC[C@@H]1[C@H](C(=C)C(=O)O1)C(=O)O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18-,19+/m1/s1 UYUDMGMNHAKPEV-QRQLOZEOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) Long-chain fatty alcohols (CHEMONTID:0002951) NA (NA) +0419_00091 C25H32O8 6.54 CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)O)CCCCC)O InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-19(32-3)20(15)25(31)33-23-18(27)13-16(11-9-7-5-2)21(22(23)28)24(29)30/h12-14,26-28H,4-11H2,1-3H3,(H,29,30) LPYVRTMCNJPGMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00092 C18H18O7 6.54 CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)OC)C)O InChI=1S/C18H18O7/c1-8-5-11(7-12(19)14(8)17(21)22)25-18(23)15-9(2)6-13(24-4)10(3)16(15)20/h5-7,19-20H,1-4H3,(H,21,22) GEZCJRBINSDUSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00093 C30H18O10 6.57 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3 MQSXZQXHIJMNAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00094 C30H18O10 6.58 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4C)O)C(=O)C6=C(C5=O)C=C(C=C6O)O)O)O InChI=1S/C30H18O10/c1-9-3-12-20(14(32)4-9)29(39)24-18(36)8-17(35)22(26(24)27(12)37)19-10(2)5-15(33)23-25(19)28(38)13-6-11(31)7-16(34)21(13)30(23)40/h3-8,31-36H,1-2H3 ZYHXFTQSOKDEDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Anthracenes (CHEMONTID:0000018) Anthraquinones (CHEMONTID:0000151) Hydroxyanthraquinones (CHEMONTID:0001598) NA (NA) +0419_00095 C26H34O7 6.6 CCCCCC1=C(C(=CC(=C1)O)OC)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CCCCC InChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(27)15-21(31-3)24(17)26(30)33-20-14-18(12-10-8-6-2)23(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29) ZACYDWHCNGMWPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00096 C15H23NO5 6.6 C[N+](C)(C)[C@@H](CCC1=CC(=C(C(=C1)OC)O)OC)C(=O)[O-] InChI=1S/C15H23NO5/c1-16(2,3)11(15(18)19)7-6-10-8-12(20-4)14(17)13(9-10)21-5/h8-9,11H,6-7H2,1-5H3,(H-,17,18,19)/t11-/m0/s1 CQAXHXITAVOZSM-NSHDSACASA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0419_00097 C26H30O9 6.62 CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)O)CC(=O)CCCCC)C(=O)O2)O)C(=O)O InChI=1S/C26H30O9/c1-3-5-7-9-15(27)11-14-12-18(29)22(30)24-20(14)26(33)34-19-13-17(28)21(25(31)32)16(23(19)35-24)10-8-6-4-2/h12-13,28-30H,3-11H2,1-2H3,(H,31,32) BQHHNAPTXQOPBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00098 C20H16O6 6.71 COC1=CC=C(C=C1)C2=C(/C(=C(\C3=CC=CC=C3)/C(=O)OC)/OC2=O)O InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16- KXQKSBAGVQMQSN-VLGSPTGOSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0419_00099 C21H36O5 6.72 CC1[C@@H]([C@@H](OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h17-19H,3-15H2,1-2H3,(H,23,24)/t17?,18-,19-/m0/s1 SPGPUDJMXMJNCU-MNNMKWMVSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00100 C20H20O7 6.73 CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C=O)O)C=O)O)C)OC InChI=1S/C20H20O7/c1-9-6-15(26-5)12(4)19(10(9)2)27-20(25)16-11(3)13(7-21)17(23)14(8-22)18(16)24/h6-8,23-24H,1-5H3 COJRBNIKTUZKMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00101 C18H16O9 6.74 CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C(=O)O)O)C)O)O)C=O)O InChI=1S/C18H16O9/c1-7-3-12(21)10(5-19)16(23)13(7)18(26)27-6-9-4-11(20)8(2)15(22)14(9)17(24)25/h3-5,20-23H,6H2,1-2H3,(H,24,25) AUHQGXIVPHNDEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00102 C26H32O8 6.74 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)O)CC(=O)CCCCC)O)C(=O)O InChI=1S/C26H32O8/c1-3-5-7-9-16-13-20(15-22(30)23(16)25(31)32)34-26(33)24-17(12-19(28)14-21(24)29)11-18(27)10-8-6-4-2/h12-15,28-30H,3-11H2,1-2H3,(H,31,32) VZPLPGICHZXOCQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00103 C20H16O6 6.75 COC1=CC=CC=C1/C(=C\2/C(=C(C(=O)O2)C3=CC=CC=C3)O)/C(=O)OC InChI=1S/C20H16O6/c1-24-14-11-7-6-10-13(14)16(19(22)25-2)18-17(21)15(20(23)26-18)12-8-4-3-5-9-12/h3-11,21H,1-2H3/b18-16+ IWYVMUDIEOXASM-FBMGVBCBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0419_00104 C29H32N2O4 6.82 CC(C)C[C@@H](C(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 InChI=1S/C29H32N2O4/c1-21(2)18-26(31-28(33)24-16-10-5-11-17-24)29(34)35-20-25(19-22-12-6-3-7-13-22)30-27(32)23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,30,32)(H,31,33)/t25-,26-/m0/s1 JOOSAYNHLJGJCN-UIOOFZCWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00105 C24H30O8 6.84 CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCC)O InChI=1S/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28) AAKHGLJWUOZNTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00106 C19H20O8 6.88 CC1=C(C(=C(C2=C1OC3(C2(C(=C(C(=O)C3)C(=O)C)O)C)OC)O)C(=O)C)O InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)15(24)13-16(7)27-19(26-5)6-10(22)11(8(2)20)17(25)18(13,19)4/h23-25H,6H2,1-5H3 TUENYOIQMXRNRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00107 C21H36O5 6.9 CC1C([C@H](OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h17-19H,3-15H2,1-2H3,(H,23,24)/t17?,18-,19?/m1/s1 SPGPUDJMXMJNCU-JLAWEPINSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00108 C21H34O5 6.9 CC1=C([C@H](OC1=O)CCCCCCCCCCCCCC(=O)C)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18H,3-15H2,1-2H3,(H,23,24)/t18-/m1/s1 KYSXDEQQOVVLIN-GOSISDBHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00109 C25H28O9 6.92 CCCC(=O)CC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CC(=O)CCC InChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31) QZZMDINWSWWNKM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00110 C21H36O5 6.93 CC1=C([C@H](OC1=O)CCCCCCCCCCCCC(C)CO)C(=O)O InChI=1S/C21H36O5/c1-16(15-22)13-11-9-7-5-3-4-6-8-10-12-14-18-19(20(23)24)17(2)21(25)26-18/h16,18,22H,3-15H2,1-2H3,(H,23,24)/t16?,18-/m1/s1 FEGXSCTZZUZMJG-UHUGOGIASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty alcohols (CHEMONTID:0001334) Long-chain fatty alcohols (CHEMONTID:0002951) NA (NA) +0419_00111 C16H14O5 6.94 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)OC InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3 QDLAGTHXVHQKRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0419_00112 C17H30O4 6.95 CCCCCCCCCC[C@H]1C[C@H]([C@@H](C(=O)O1)C)C(=O)O InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-14-12-15(16(18)19)13(2)17(20)21-14/h13-15H,3-12H2,1-2H3,(H,18,19)/t13-,14-,15+/m0/s1 SRMPRRDLILJEAW-SOUVJXGZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0419_00113 C27H32O9 6.95 CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)OC)CC(=O)CCCCC)C(=O)O2)O)C(=O)O InChI=1S/C27H32O9/c1-4-6-8-10-16(28)12-15-13-19(34-3)23(30)25-21(15)27(33)35-20-14-18(29)22(26(31)32)17(24(20)36-25)11-9-7-5-2/h13-14,29-30H,4-12H2,1-3H3,(H,31,32) YFNNJORBJZUGCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00114 C17H14O8 6.99 C[C@H]1CC2=C(C(=C3C(=O)C=C(C(=O)C3=C2O)OC)OC(=O)C)C(=O)O1 InChI=1S/C17H14O8/c1-6-4-8-11(17(22)24-6)16(25-7(2)18)12-9(19)5-10(23-3)15(21)13(12)14(8)20/h5-6,20H,4H2,1-3H3/t6-/m0/s1 QADZPCBQWKTAKP-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isochromanequinones (CHEMONTID:0001649) NA (NA) NA (NA) NA (NA) +0419_00115 C9H8O5 7.07 CC1=CC(=C(C(=C1C(=O)O)O)C=O)O InChI=1S/C9H8O5/c1-4-2-6(11)5(3-10)8(12)7(4)9(13)14/h2-3,11-12H,1H3,(H,13,14) KCOOTJRKKIDHTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0419_00116 C19H20O8 7.08 CC1=C(C(=C2C(=C1O)C3(C(=C(C(=O)CC3(O2)OC)C(=O)C)O)C)C(=O)C)O InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)16-13(15(7)24)18(4)17(25)11(8(2)20)10(22)6-19(18,26-5)27-16/h23-25H,6H2,1-5H3 HCSONWDCGXFSJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00117 C21H34O5 7.09 CC(=O)CCCCCCCCCCCCC[C@H]1[C@H](C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24)/t18-,19-/m0/s1 SKQHRBRVCRUFSX-OALUTQOASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00118 C29H34O9 7.09 CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)O)OC InChI=1S/C29H34O9/c1-4-6-8-10-18(30)14-21-26(28(33)34)22(31)16-23(32)27(21)38-24-15-20(36-3)13-17-12-19(11-9-7-5-2)37-29(35)25(17)24/h12-13,15-16,31-32H,4-11,14H2,1-3H3,(H,33,34) NDOGMEJTCDSZAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isocoumarins and derivatives (CHEMONTID:0001890) NA (NA) NA (NA) NA (NA) +0419_00119 C22H26O5 7.09 CCCCCC1=C(C(=CC2=C1C3=C(C=C(C=C3O2)OC)CCC)O)C(=O)O InChI=1S/C22H26O5/c1-4-6-7-9-15-20(22(24)25)16(23)12-18-21(15)19-13(8-5-2)10-14(26-3)11-17(19)27-18/h10-12,23H,4-9H2,1-3H3,(H,24,25) IDZVZCQOFFSQMO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00120 C21H34O5 7.09 CC(=O)CCCCCCCCCCCCC[C@@H]1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24)/t18-,19?/m1/s1 SKQHRBRVCRUFSX-MRTLOADZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00121 C20H22O7 7.09 CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC InChI=1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23) MIJKZXWOOXIEEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00122 C28H36O8 7.1 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCCCC)OC)C(=O)O InChI=1S/C28H36O8/c1-5-7-9-11-18-14-22(17-24(35-4)26(18)27(31)32)36-28(33)25-19(13-20(29)12-10-8-6-2)15-21(34-3)16-23(25)30/h14-17,30H,5-13H2,1-4H3,(H,31,32) UANVCGQMNRTKGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00123 C21H34O5 7.1 CC(=O)CCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O InChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24) SKQHRBRVCRUFSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00124 C22H26O8 7.11 CCCC1=CC(=C(C(=C1C(=O)OC)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)O InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(24)10-13(8-6-2)18(19(20)25)21(26)29-4/h9-11,23-25H,5-8H2,1-4H3 CFXORXZRGPTGFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00125 C26H30O8 7.13 CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31) KVTYWHGIZSCFLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00126 C19H18O8 7.14 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3 YLOYKYXNDHOHHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00127 C19H20O7 7.26 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)O)C)O)C)OC InChI=1S/C19H20O7/c1-8-7-13(11(4)16(20)14(8)18(22)23)26-19(24)15-9(2)6-12(25-5)10(3)17(15)21/h6-7,20-21H,1-5H3,(H,22,23) NMKBRSYSHBPUPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00128 C18H14O10 7.26 CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C(=O)O)O)C=O)O)O)C=O)O InChI=1S/C18H14O10/c1-7-2-11(21)9(4-19)15(23)13(7)18(27)28-6-8-3-12(22)10(5-20)16(24)14(8)17(25)26/h2-5,21-24H,6H2,1H3,(H,25,26) QAUIZXBSXBMGCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) p-Hydroxybenzoic acid esters (CHEMONTID:0004701) +0419_00129 C24H23NO6 7.26 CC(C)C[C@@H](C(=O)O)NC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3 InChI=1S/C24H23NO6/c1-14(2)13-17(23(28)29)25-22(27)19(16-11-7-4-8-12-16)21-20(26)18(24(30)31-21)15-9-5-3-6-10-15/h3-12,14,17,26H,13H2,1-2H3,(H,25,27)(H,28,29)/b21-19-/t17-/m0/s1 ZQLBONJLBKDOLE-UFVMTTLYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00130 C20H18O9 7.27 CCOCC1=C(C(=C(C2=C1OC(=O)C3=C(O2)C(=C(C=C3C)O)C=O)C)C(=O)O)O InChI=1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25) SPLUKWYWJOQKMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00131 C27H21NO6 7.27 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C(=C2C(=C(C(=O)O2)C3=CC=CC=C3)O)C4=CC=CC=C4 InChI=1S/C27H21NO6/c29-23-21(18-12-6-2-7-13-18)27(33)34-24(23)22(19-14-8-3-9-15-19)25(30)28-20(26(31)32)16-17-10-4-1-5-11-17/h1-15,20,29H,16H2,(H,28,30)(H,31,32)/t20-/m0/s1 XTLHEUFWRQKNNG-FQEVSTJZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00132 C18H16O7 7.27 CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1 WEYVVCKOOFYHRW-GOSISDBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00133 C24H30O7 7.28 CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC InChI=1S/C24H30O7/c1-3-5-7-9-15-11-17(25)13-19(26)22(15)24(30)31-18-12-16(10-8-6-4-2)21(23(28)29)20(27)14-18/h11-14,25-27H,3-10H2,1-2H3,(H,28,29) BEFYPHLCGVCBFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00134 C25H30O8 7.28 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CC(=O)CCC)O)C(=O)O InChI=1S/C25H30O8/c1-4-6-7-9-15-11-19(14-20(27)22(15)24(29)30)33-25(31)23-16(10-17(26)8-5-2)12-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30) PKLMGLZTAHCGBQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00135 C20H16O10 7.28 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C)O)C(=O)O)C)C=O)O InChI=1S/C20H16O10/c1-7-4-12(23)10(5-21)17-13(7)20(27)30-18-11(6-28-9(3)22)15(24)14(19(25)26)8(2)16(18)29-17/h4-5,23-24H,6H2,1-3H3,(H,25,26) SKXNIRUDASOCCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00136 C25H30O8 7.31 CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2O)OC)CCC(=O)CC)O)C(=O)O InChI=1S/C25H30O8/c1-4-6-7-8-15-12-19(14-20(27)22(15)24(29)30)33-25(31)23-16(9-10-17(26)5-2)11-18(32-3)13-21(23)28/h11-14,27-28H,4-10H2,1-3H3,(H,29,30) UCYIOAVHQGSYLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00137 C21H24O7 7.33 CCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC InChI=1S/C21H24O7/c1-4-6-12-9-15(11-16(22)18(12)20(24)25)28-21(26)19-13(7-5-2)8-14(27-3)10-17(19)23/h8-11,22-23H,4-7H2,1-3H3,(H,24,25) FSRDIJIAQPSMMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00138 C25H30O8 7.36 CCCCCC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)CCCCC)O)OC InChI=1S/C25H30O8/c1-4-6-8-10-14-12-17(31-3)21(27)23-19(14)25(30)32-18-13-16(26)20(24(28)29)15(22(18)33-23)11-9-7-5-2/h12-13,26-27H,4-11H2,1-3H3,(H,28,29) VZPSCITXDMDLDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00139 C14H12O3 7.4 CC1=CC(=C2C(=C1)OC3=C2C(=CC(=C3)O)C)O InChI=1S/C14H12O3/c1-7-3-10(16)14-11(4-7)17-12-6-9(15)5-8(2)13(12)14/h3-6,15-16H,1-2H3 AXWZWBNCJWJORZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) Dibenzofurans (CHEMONTID:0000015) NA (NA) NA (NA) +0419_00140 C18H16O7 7.45 CC1=C(C(=C(C2=C1OC3=CC(=C(C(=O)[C@@]32C)C(=O)C)O)O)C(=O)C)O InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)15(23)13-16(6)25-10-5-9(21)11(7(2)19)17(24)18(10,13)4/h5,21-23H,1-4H3/t18-/m0/s1 GRIDHCOCFJSWSY-SFHVURJKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Acetophenones (CHEMONTID:0000119) NA (NA) NA (NA) +0419_00141 C17H32O4 7.45 CCCCCCCCCCCC[C@H]([C@H](C)C(=O)O)C(=O)O InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1 CADNMISJDLVPCK-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0419_00142 C17H30O4 7.46 CCCCCCCCCCCC1[C@@H](C(C(=O)O1)C)C(=O)O InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(16(18)19)13(2)17(20)21-14/h13-15H,3-12H2,1-2H3,(H,18,19)/t13?,14?,15-/m1/s1 PKXAQFKGSXYQJX-YMAMQOFZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00143 C20H36O6 7.46 CCCCCCCCCCCCCC[C@@H]([C@@H](CC(=O)O)C(=O)O)C(=O)O InChI=1S/C20H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19(23)24)17(20(25)26)15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t16-,17+/m0/s1 YBZIIVKQVVKTTD-DLBZAZTESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0419_00144 C23H28O7 7.47 CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC InChI=1S/C23H28O7/c1-4-6-7-9-15-10-16(29-3)12-19(25)21(15)23(28)30-17-11-14(8-5-2)20(22(26)27)18(24)13-17/h10-13,24-25H,4-9H2,1-3H3,(H,26,27) QXDIHIOKSGGXLD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00145 C25H30O7 7.48 CCCCCC1=CC(=O)C=C([C@]12C3=C(C=C(C(=C3CCCCC)C(=O)O)O)OC2=O)OC InChI=1S/C25H30O7/c1-4-6-8-10-15-12-16(26)13-20(31-3)25(15)22-17(11-9-7-5-2)21(23(28)29)18(27)14-19(22)32-24(25)30/h12-14,27H,4-11H2,1-3H3,(H,28,29)/t25-/m0/s1 LOGCRVAWKCZXQM-VWLOTQADSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0419_00146 C19H14O5 7.49 COC(=O)/C(=C/1\C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3 InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3/b17-15+ OMZRMXULWNMRAE-BMRADRMJSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00147 C27H36O7 7.52 CCCCCC1=C(C(=CC(=C1)OC)OC)C(=O)OC2=CC(=C(C(=C2)OC)C(=O)O)CCCCC InChI=1S/C27H36O7/c1-6-8-10-12-18-15-21(17-22(32-4)24(18)26(28)29)34-27(30)25-19(13-11-9-7-2)14-20(31-3)16-23(25)33-5/h14-17H,6-13H2,1-5H3,(H,28,29) FNJKTDQIJKLZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00148 C28H32O9 7.64 CCCCCC(=O)CC1=C2C(=CC(=C1)O)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34) ZDIOCINAHISORH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00149 C18H10O4 7.64 C1=CC=C(C=C1)C2=C3C(=C(C(=O)O3)C4=CC=CC=C4)OC2=O InChI=1S/C18H10O4/c19-17-13(11-7-3-1-4-8-11)15-16(22-17)14(18(20)21-15)12-9-5-2-6-10-12/h1-10H KQTXUHHOWJUFOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Dihydrofurans (CHEMONTID:0001983) Furanones (CHEMONTID:0001982) Butenolides (CHEMONTID:0002223) NA (NA) +0419_00150 C28H23NO6 7.65 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C(=C\2/C(=C(C(=O)O2)C3=CC=CC=C3)O)/C4=CC=CC=C4 InChI=1S/C28H23NO6/c1-34-27(32)21(17-18-11-5-2-6-12-18)29-26(31)23(20-15-9-4-10-16-20)25-24(30)22(28(33)35-25)19-13-7-3-8-14-19/h2-16,21,30H,17H2,1H3,(H,29,31)/b25-23-/t21-/m0/s1 DKDGWAKCXBFTMM-KFHWJWAOSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00151 C18H10O5 7.68 C1=CC=C(C=C1)C2=C(/C(=C\3/C4=CC=CC=C4OC3=O)/OC2=O)O InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+ CGRCGRBHNKRILW-JQIJEIRASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzofurans (CHEMONTID:0000301) NA (NA) NA (NA) NA (NA) +0419_00152 C26H24O10 7.74 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OC)O)O)O)OC InChI=1S/C26H24O10/c1-12-6-15(33-4)9-18(27)22(12)25(31)36-17-8-14(3)23(20(29)11-17)26(32)35-16-7-13(2)21(19(28)10-16)24(30)34-5/h6-11,27-29H,1-5H3 HTOPMCGBOADATG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00153 C25H25NO6 7.82 CC(C)C[C@@H](C(=O)OC)NC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3 InChI=1S/C25H25NO6/c1-15(2)14-18(24(29)31-3)26-23(28)20(17-12-8-5-9-13-17)22-21(27)19(25(30)32-22)16-10-6-4-7-11-16/h4-13,15,18,27H,14H2,1-3H3,(H,26,28)/b22-20-/t18-/m0/s1 IBSRGCBHIASQMQ-BKBKCADHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0419_00154 C22H42O5 7.83 CC[C@@H](C)C[C@@H](C)[C@@H]([C@H](C)C(=O)O[C@@H]([C@H](C)C[C@H](C)CC)[C@H](C)C(=O)O)O InChI=1S/C22H42O5/c1-9-13(3)11-15(5)19(23)17(7)22(26)27-20(18(8)21(24)25)16(6)12-14(4)10-2/h13-20,23H,9-12H2,1-8H3,(H,24,25)/t13-,14-,15-,16-,17+,18+,19+,20+/m1/s1 ZQEUMOKDJCSNHB-IHRHECOVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) 3-(3-hydroxyalkanoyloxy)alkanoic acids (CHEMONTID:0001463) NA (NA) +0419_00155 C22H26O8 7.83 CCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)OC InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26) CPHXGYQLOSNELY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00156 C21H22O8 7.84 CC1=C(C(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC)O)C)O)C=O)O)C InChI=1S/C21H22O8/c1-8-10(3)16(23)13(7-22)18(25)15(8)21(27)29-19-11(4)9(2)14(20(26)28-6)17(24)12(19)5/h7,23-25H,1-6H3 UHFZDRSLNDPMRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Depsides and depsidones (CHEMONTID:0001645) NA (NA) NA (NA) NA (NA) +0419_00157 C19H32O4 7.88 CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1 WZYZDHVPSZCEEP-DLBZAZTESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00158 C30H48O3 7.89 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 WCGUUGGRBIKTOS-GPOJBZKASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0419_00159 C19H34O4 8 CC1C(C(OC1=O)CCCCCCCCCC(C)(C)C)C(=O)O InChI=1S/C19H34O4/c1-14-16(17(20)21)15(23-18(14)22)12-10-8-6-5-7-9-11-13-19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,21) NRFWTRPHJATQOB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0419_00160 C21H38O6 8 CCCCCCCCCCCCCC[C@@H]([C@H](CC(=O)O)C(=O)O)C(=O)OC InChI=1S/C21H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21(26)27-2)18(20(24)25)16-19(22)23/h17-18H,3-16H2,1-2H3,(H,22,23)(H,24,25)/t17-,18-/m0/s1 LGCPAGYPUFWEBQ-ROUUACIJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +0419_00161 C19H34O4 8 CCCCCCCCCCCCC[C@@H]1[C@H]([C@@H](C(=O)O1)C)C(=O)O InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h15-17H,3-14H2,1-2H3,(H,20,21)/t15-,16+,17-/m0/s1 WLGALFYTFVOQPY-BBWFWOEESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) diff --git a/processed_data/0419/0419_validation_qspr_outliers.tsv b/processed_data/0419/0419_validation_qspr_outliers.tsv new file mode 100644 index 000000000..c4ee47fa4 --- /dev/null +++ b/processed_data/0419/0419_validation_qspr_outliers.tsv @@ -0,0 +1,11 @@ +id error +0419_00007 1.758848869349817 +0419_00063 1.358351230312592 +0419_00067 1.6328612954286363 +0419_00096 1.6313110523916041 +0419_00114 1.9333604565207443 +0419_00115 2.291896260759006 +0419_00135 1.4567771305101873 +0419_00139 1.332651967453054 +0419_00152 1.5785707338870498 +0419_00154 1.389362075479033 diff --git a/processed_data/0420/0420_descriptors_canonical_success.tsv b/processed_data/0420/0420_descriptors_canonical_success.tsv new file mode 100644 index 000000000..842c7b525 --- /dev/null +++ b/processed_data/0420/0420_descriptors_canonical_success.tsv @@ -0,0 +1,170 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0420_00001 11.996102413710513 15.998274986518835 -0.38613919900264915 0.21675948840357928 5.857582606356184 13.362093914945628 0.5142857142857142 2.677 565.7495346924073 1 4 4.540000000000001 10 17 49 3 85 0 0 1.8987000000000038 3.6050616900000145 176.2769 0 8 3 3 2 0 0 4 4 0 0 0 0.1257292766879426 250 5699 85 88.5716660333811 2.108849191270979 21.676027955375382 5.195903044114166 16.48012491126119 6.614709844115208 71.08000000000001 1 0.5 0.2913267575950431 7.286879475141537 6.642299240840062 0.4749571257964983 21.867122193165695 46.08709111912628 3.795371836619681 20.78456563208807 4.2910857825906765 0 0.16666666666666669 0 0 0 0 0 0.1111111111111111 1.063447771022974 0.388067491097121 0 0 0 0 0 0 2 1 10 0 1 6 5 0 0 1 6 2 1 0 0 0 0 1 1 0 0 0 0 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29.40524781341108 11.357340720221607 4.5584045584045585 0.5142857142857142 6742.07 0.8571428571428571 1212 28.74998341876804 20.401052461600027 19.254550332585808 18.271580663040904 16.625149286195203 14.043434539740804 11.10995922091911 8.971236021816502 24.90348049579123 15.947236623887944 13.686027468197956 11.83550308395644 9.619545133420852 7.310235899660291 5.279368952914516 3.890608354411153 9.407138464860246 17.25977631102561 26.367821318813935 5.4558910437894195 8.788456893665298 11.80627635343744 3.1909859809777097 0.06804138174397717 1.2925443797346992 0.10366807798802437 2.062852826616457 0.051031036307982884 0.6318006310364169 0.041285488550583976 0 0 0.347793265406907 1.104830121574502 2.0343228470962176 0 0 0.21833681535431795 0.5794744878133432 0.8979876633210883 0 0 2 11 4 4 9 2 1 3927.6756338463983 4948.039218637151 7784.844165075958 8357.878704690835 8109.935959775882 45.34883957746429 51.8245490856109 80.37483039253182 90.50971700527197 92.36417205379614 0.5368158409019324 -0.27518423020881433 0.005611547664930699 -0.07358054842171065 0.25027356653415306 3 7 55.22590099999999 97.376099 +0420_00002 11.988306377082777 14.014357779380573 -0.32187493192085664 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000000000..c6c7b1678 --- /dev/null +++ b/processed_data/0420/0420_descriptors_isomeric_success.tsv @@ -0,0 +1,170 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 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53.53512935358596 0.490204000017528 -0.25758282866162047 0.0636609967203442 -0.08068700776624081 0.11421642126469085 2 5 36.12379599999999 61.99620399999997 +0420_00169 11.993229870544807 16.00097658969558 -0.36417949200456984 0.28626808254987823 4.998157146827044 15.230359766491132 0.45161290322580644 1.924 544.5961578299107 1 7 3.88 11 15 46 1 72 0 0 1.5184999999999966 2.3058422499999898 152.0287 0 7 2 2 2 1 0 2 4 0 0 0 0.1960600739136976 240 4467 88 83.03477556546488 2.075869389136622 26.147591830595427 19.579545532048726 6.568046298546709 6.523561956057013 106.7 1 0.5 0.45856606309931985 5.986315578824402 5.359594567178964 3.0652377295742124 19.37963194119419 27.080198882956708 12.935604250151409 8.406553717838827 13.159880055150852 3.1473451902649443 0.454280148208035 2.700503583189668 1.2081922359201023 0 0 0 0 0.33333333333333337 0 0 0 0 0 0 0 3 0 4 0 2 9 3 0 0 3 3 0 4 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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79.02524596154333 97.93647241381753 117.05561811168843 1.1316052100813363 -0.6377098994933748 0.2773733029024287 -0.005310751404763479 -0.35450662835920893 1 9 48.16062399999999 83.711376 diff --git a/processed_data/0420/0420_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0420/0420_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..42405c4b3 --- /dev/null +++ b/processed_data/0420/0420_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 14,15,26,58,64,89,96,99,104,111,117,134,135,140,144,152,153,167,175,222,223,226,233,237,245,270,272,273,282,349,353,355,357,371,380,398,404,419,442,450,453,465,468,473,475,477,482,483,486,487,503,504,506,508,509,524,525,526,542,550,583,609,616,626,635,640,652,654,661,662,666,677,686,700,714,722,724,740,741,742,756,768,772,778,786,797,806,807,823,828,845,850,929,932,941,946,948,957,958,964,968,970,978,996,1004,1022 +0420_00002 15,17,58,89,96,130,134,157,175,177,182,242,272,276,282,304,315,351,377,380,382,425,429,439,442,480,487,503,506,520,524,542,550,585,593,630,654,662,684,714,741,772,786,797,841,850,873,882,923,931,948,963,968,974,984,995,1018,1020,1021 +0420_00003 15,18,20,24,26,89,96,103,124,134,153,175,179,203,216,222,223,252,254,264,306,311,315,323,326,348,351,360,381,398,425,435,439,464,473,487,508,524,541,550,561,577,611,612,626,656,677,689,713,716,727,731,739,761,762,773,792,810,838,850,858,906,921,923,942,948,955,964,968,972,995,997,1006 +0420_00004 15,26,39,48,79,84,89,96,110,134,151,164,175,178,179,187,200,222,223,252,264,265,274,281,306,353,398,410,425,439,461,473,487,503,524,544,546,550,561,567,581,582,617,626,647,649,650,662,677,686,689,716,727,739,758,773,776,782,786,797,825,838,848,862,873,883,886,893,936,938,964,968,1017 +0420_00005 15,26,28,57,58,65,74,89,96,99,129,134,142,151,160,168,175,185,197,205,238,245,261,273,282,287,330,343,363,374,387,404,425,461,473,487,492,503,506,508,524,550,555,566,660,662,666,686,698,711,733,739,741,748,750,762,782,784,786,797,809,811,813,850,872,930,946,948,958,961,964,968,992,999 +0420_00006 10,15,26,56,86,89,96,113,134,153,174,175,179,201,215,222,223,238,245,252,254,260,279,286,302,306,308,326,332,333,351,357,360,366,398,425,430,439,473,487,508,520,524,540,550,561,577,583,607,611,612,620,626,632,652,677,689,701,716,731,739,743,758,763,773,810,829,836,838,850,886,911,921,936,964,968,972,1006 +0420_00007 4,15,26,32,47,62,66,89,99,100,103,130,134,137,148,151,158,160,166,171,174,175,178,182,191,197,201,222,229,241,245,260,269,270,293,294,330,332,338,347,389,400,408,419,457,461,473,492,508,512,515,524,540,549,559,563,586,611,686,697,702,705,711,717,749,756,758,768,778,782,791,823,829,848,858,867,884,894,912,919,933,948,960,968,990,1006 +0420_00008 1,15,18,81,89,90,96,132,134,198,223,245,250,260,268,272,276,282,297,361,363,364,365,380,385,393,405,421,437,442,456,467,483,487,501,503,504,506,530,540,542,550,571,585,596,626,652,654,662,702,714,722,731,741,747,786,797,867,879,908,922,948,962,968,983,984,996,1002,1022 +0420_00009 10,15,20,26,32,57,58,73,84,89,96,98,104,111,134,153,170,203,209,230,234,240,260,265,297,299,300,311,323,326,327,330,344,346,347,350,369,380,396,410,435,459,461,483,487,491,492,503,508,510,541,549,550,553,562,573,574,578,624,626,651,660,661,662,667,695,699,709,717,719,723,727,752,763,776,783,784,785,786,787,791,797,804,827,828,850,864,885,908,913,936,946,948,952,964,968,974,982,997,1014,1022 +0420_00010 15,24,26,39,48,87,89,96,107,111,134,144,151,153,175,178,179,187,222,223,244,264,306,311,326,398,425,433,456,473,487,503,524,549,550,555,561,566,567,626,643,661,662,666,677,686,713,724,734,739,780,786,792,796,797,825,838,847,856,862,883,930,948,951,964,968,994 +0420_00011 13,15,20,26,63,69,89,96,99,100,105,108,111,131,134,135,137,151,168,175,207,222,223,233,300,317,327,347,365,387,390,398,425,430,450,468,473,484,487,503,506,508,524,549,550,558,559,622,626,658,661,662,665,677,689,716,727,736,739,775,786,797,802,815,823,840,850,894,908,948,961,964,968,993 +0420_00012 1,15,18,81,89,90,96,132,134,198,223,245,250,260,268,272,276,282,297,361,363,364,365,380,385,393,405,421,437,442,456,467,483,487,501,503,504,506,530,540,542,550,571,585,596,626,652,654,662,702,714,722,731,741,747,786,797,867,879,908,922,948,962,968,983,984,996,1002,1022 +0420_00013 15,26,32,79,83,86,89,96,103,110,134,174,175,179,191,201,222,223,245,252,254,260,270,274,306,308,332,333,353,360,398,403,425,430,434,439,440,461,473,487,508,524,526,540,544,546,550,561,581,582,607,611,612,617,620,639,650,677,689,701,716,739,758,773,782,810,838,867,873,893,921,939,964,968,972,1006,1017 +0420_00014 4,15,20,26,69,81,89,96,99,105,131,134,137,151,168,175,195,222,223,233,240,287,300,315,327,331,347,351,365,387,398,425,430,433,439,473,480,484,487,503,506,508,524,549,550,577,658,662,677,727,739,743,773,782,786,797,823,840,850,852,874,894,908,923,948,961,964,968,974,995 +0420_00015 8,15,26,49,62,89,96,99,105,129,131,134,137,185,202,222,233,278,297,306,315,327,349,351,378,387,425,437,473,477,487,497,503,506,508,530,550,566,595,631,642,662,681,739,747,786,797,823,827,840,850,894,907,908,923,934,947,948,961,964,968,974,977,983,995 +0420_00016 15,29,40,89,117,134,135,153,171,175,188,247,301,315,321,326,328,351,354,363,378,389,398,439,442,506,515,522,524,550,557,577,610,626,630,631,640,646,652,654,662,666,676,677,686,692,703,722,723,741,797,836,849,850,922,923,947,948,955,964,968,974,982,985,995,998,1008,1022 +0420_00017 15,20,26,39,52,58,89,96,111,134,151,164,175,205,222,223,238,244,245,355,360,387,425,435,456,459,473,487,503,506,508,518,524,541,550,561,574,620,630,638,658,662,668,677,692,723,739,775,782,786,789,795,797,815,817,819,836,838,850,872,914,915,946,961,968,1004,1018 +0420_00018 15,20,23,26,35,43,55,85,89,96,98,111,125,134,145,153,175,191,195,203,222,230,254,260,267,271,274,276,283,287,326,332,377,380,382,425,432,457,461,466,473,487,508,513,517,524,550,563,566,583,611,612,626,656,678,695,711,727,739,762,782,792,819,851,855,867,871,898,925,948,953,968,997,1001,1006,1012 +0420_00019 1,15,20,44,50,89,90,95,96,111,134,153,225,230,244,245,272,282,300,303,307,310,330,345,347,349,352,380,381,401,422,429,442,447,482,487,503,506,508,524,540,542,549,550,566,580,596,621,628,654,662,666,686,702,714,724,727,734,737,741,770,786,797,852,855,882,906,948,968,984,994 +0420_00020 14,15,26,29,58,82,89,96,99,104,110,111,117,134,144,152,153,167,174,175,205,222,223,226,233,235,245,270,272,273,282,355,380,398,404,442,450,465,468,471,473,475,477,482,483,486,487,490,503,504,506,508,515,524,525,526,542,550,583,596,609,616,626,635,640,652,654,661,662,666,668,676,677,686,696,714,722,724,740,741,742,756,768,774,778,786,797,823,845,850,908,932,946,947,948,957,964,968,978,1004,1015,1022 +0420_00021 10,15,19,20,26,60,89,96,117,129,134,135,163,168,198,204,212,238,250,252,254,274,278,300,315,332,333,336,347,351,352,360,398,410,416,425,439,473,487,501,505,508,522,524,549,550,561,565,567,594,596,611,612,626,686,721,727,739,785,810,819,830,850,898,923,925,932,936,939,948,950,964,968,995,997,1006,1008,1010 +0420_00022 15,26,53,66,89,96,99,133,134,161,174,175,184,205,222,223,241,245,254,277,278,315,326,335,339,351,421,425,430,439,461,473,486,487,508,512,524,540,550,555,565,566,586,611,612,623,626,659,677,686,701,702,711,716,717,720,739,754,761,762,771,782,794,823,836,850,870,923,932,936,948,956,968,983,995,1006,1012,1022 +0420_00023 12,15,26,28,55,61,69,88,89,96,125,134,148,153,174,175,179,195,215,222,223,245,252,254,271,274,275,322,326,332,336,347,351,360,366,391,398,425,430,439,442,473,487,508,524,550,561,577,593,612,626,632,669,677,697,701,707,731,739,743,770,773,810,838,850,870,891,912,964,968,974,980,983,1005,1006 +0420_00024 15,18,20,24,26,89,96,103,124,134,153,175,179,203,216,222,223,252,254,264,306,311,315,323,326,348,351,360,381,398,425,435,439,464,473,487,508,524,541,550,561,577,611,612,626,656,677,689,713,716,727,731,739,761,762,773,792,810,838,850,858,906,921,923,942,948,955,964,968,972,995,997,1006 +0420_00025 15,22,24,25,26,77,89,96,105,108,128,134,135,153,212,244,252,254,274,307,350,360,396,425,473,477,482,487,522,524,546,550,561,566,596,611,612,615,626,631,634,641,681,686,705,739,758,788,810,819,830,840,883,898,905,918,932,936,948,964,968,994,998,1006,1017 +0420_00026 15,20,26,29,57,62,78,89,96,106,111,115,134,140,146,151,153,168,175,190,208,212,222,223,238,300,315,347,348,351,368,389,405,410,423,425,439,473,481,487,508,514,524,544,549,550,577,596,608,615,635,638,645,677,686,699,700,701,724,727,739,762,767,785,786,797,850,862,872,886,904,923,935,948,959,964,968,983,985,989,995,1009 +0420_00027 15,21,58,77,89,96,104,111,117,132,134,140,144,152,153,162,167,175,194,226,237,245,247,253,270,272,282,303,353,354,355,371,378,380,404,419,422,439,442,453,477,483,486,487,503,504,506,524,525,526,542,548,550,583,616,626,631,635,640,648,652,654,662,666,677,686,692,714,722,724,741,742,756,768,772,778,781,786,793,797,807,812,828,850,895,929,941,946,948,957,958,964,966,968,978,996,1004,1010,1022 +0420_00028 15,20,27,69,73,75,77,89,96,129,131,134,142,153,189,236,245,272,278,282,293,300,304,310,315,347,351,352,356,372,380,401,439,442,458,465,479,481,482,485,487,503,504,506,508,515,523,524,540,542,549,550,571,596,628,637,652,654,656,662,664,666,680,686,688,705,714,716,722,727,729,730,741,761,762,786,797,812,813,832,850,868,881,882,889,893,896,907,913,923,929,940,948,964,968,971,974,976,995 +0420_00029 4,15,26,32,79,83,89,100,103,110,134,151,171,174,175,179,182,191,201,222,223,245,252,254,260,270,274,306,332,347,353,354,398,403,419,434,439,440,461,473,508,515,524,526,540,544,546,549,561,581,582,611,617,620,639,650,660,672,677,689,705,716,754,758,768,773,778,782,806,838,867,873,893,919,921,939,948,961,964,968,972,1006,1017 +0420_00030 3,15,20,26,30,39,41,57,89,96,134,139,153,163,168,238,248,272,275,282,288,300,311,315,326,328,332,347,351,380,398,410,438,439,442,443,449,487,503,504,506,508,524,540,542,549,550,568,612,626,652,654,656,662,664,686,692,703,714,722,727,729,734,741,785,786,797,828,829,850,881,923,948,964,968,976,995 +0420_00031 15,17,20,26,46,51,89,92,96,117,131,134,139,153,175,177,224,246,254,271,272,300,337,347,354,388,410,417,437,442,487,508,515,524,528,548,549,550,551,556,559,574,578,581,612,626,629,630,631,633,654,660,668,669,677,692,713,714,718,723,727,755,785,793,823,855,870,880,893,899,911,919,948,968,994,1006,1022 +0420_00032 4,15,26,28,32,47,53,66,89,99,100,103,110,134,137,151,171,174,175,178,182,191,201,222,241,245,254,260,263,270,274,309,330,332,347,351,353,381,389,400,403,419,439,440,461,473,508,512,515,524,526,540,544,549,565,582,586,611,619,639,650,686,702,705,716,717,754,758,768,778,782,823,848,867,886,893,919,932,939,948,960,968,1006 +0420_00033 12,15,18,20,35,40,89,92,111,121,134,142,151,165,202,203,218,260,278,300,339,347,355,358,383,386,393,400,405,425,428,452,461,471,485,508,524,529,540,543,549,566,596,615,624,631,638,657,681,684,688,691,716,717,727,744,783,791,820,833,840,849,864,869,898,910,913,914,948,950,968,972,1017 +0420_00034 15,21,58,77,89,96,104,111,117,132,134,140,144,152,153,162,167,175,194,226,237,245,247,253,270,272,282,303,353,354,355,371,378,380,404,419,422,439,442,453,477,483,486,487,503,504,506,524,525,526,542,548,550,583,616,626,631,635,640,648,652,654,662,666,677,686,692,714,722,724,741,742,756,768,772,778,781,786,793,797,807,812,828,850,895,929,941,946,948,957,958,964,966,968,978,996,1004,1010,1022 +0420_00035 15,23,26,32,53,57,89,96,103,110,116,134,135,171,174,175,191,201,207,222,245,254,260,267,270,274,283,287,289,291,332,353,378,380,403,425,430,439,461,473,477,487,507,508,517,524,526,537,540,544,547,550,579,582,611,612,626,639,650,651,701,716,739,758,782,819,855,867,893,904,906,939,941,953,968,1006 +0420_00036 15,21,29,58,82,89,96,104,111,117,132,134,135,144,152,153,162,167,175,194,204,226,245,247,270,272,278,282,354,355,378,380,404,442,463,477,483,486,487,503,504,506,515,524,525,526,542,550,583,616,626,631,635,636,640,652,654,662,666,676,677,686,692,714,722,724,727,741,742,747,756,768,774,778,786,793,797,850,946,947,948,957,964,966,968,978,1004,1010,1022 +0420_00037 3,7,15,26,32,53,66,74,87,89,99,103,110,134,168,170,174,175,222,241,245,253,254,260,263,270,274,283,309,310,332,351,353,376,381,389,403,428,439,440,461,473,487,508,512,524,526,540,544,550,565,582,586,599,611,619,626,639,640,650,672,686,702,716,717,739,754,758,780,781,782,823,837,867,886,893,932,939,948,960,968,971 +0420_00038 4,6,15,20,26,28,36,47,49,52,62,78,85,89,96,134,139,140,153,168,190,209,218,222,233,238,253,294,297,300,315,326,347,351,352,392,393,394,410,425,436,437,473,479,487,503,508,545,549,550,588,611,626,627,662,666,668,673,719,727,739,767,769,784,785,786,797,850,915,923,936,943,948,960,964,968,983,988,995 +0420_00039 1,4,7,9,15,20,26,32,33,46,49,50,55,74,89,96,99,113,134,136,138,153,154,161,163,171,184,187,194,202,203,207,209,217,220,222,237,249,254,282,297,300,310,315,327,340,347,351,352,362,367,369,379,389,390,400,401,407,422,425,433,449,460,461,463,473,475,487,491,496,508,515,524,539,545,549,550,559,565,566,583,600,603,610,612,626,634,638,662,709,716,720,727,736,739,744,748,749,773,780,786,789,797,805,846,850,855,868,906,923,931,932,940,943,948,963,964,968,969,973,977,978,983,989,994,995,1006,1007 +0420_00040 15,18,20,32,44,88,89,90,96,134,148,163,193,225,230,245,272,282,300,310,315,323,347,351,352,380,386,401,429,442,447,479,487,503,505,506,508,540,542,549,550,566,621,624,647,654,662,714,716,727,741,748,786,797,816,835,850,852,882,923,948,961,968,984,995,1018 +0420_00041 15,20,23,26,36,62,89,96,111,134,166,175,195,209,222,223,242,260,268,283,300,310,336,342,347,351,355,373,380,382,393,401,425,434,459,465,473,479,487,503,508,523,524,536,549,550,572,574,601,611,630,633,643,662,665,668,677,692,723,727,739,741,786,795,797,819,854,855,894,911,914,927,948,963,968,994 +0420_00042 15,20,26,29,57,62,78,89,96,106,111,115,134,140,146,151,153,168,175,190,208,212,222,223,238,300,315,347,348,351,368,389,405,410,423,425,439,473,481,487,508,514,524,544,549,550,577,596,608,615,635,638,645,677,686,699,700,701,724,727,739,762,767,785,786,797,850,862,872,886,904,923,935,948,959,964,968,983,985,989,995,1009 +0420_00043 15,32,86,89,99,107,111,117,134,153,158,175,218,222,229,244,247,260,271,321,328,333,347,374,385,421,442,445,499,505,506,511,515,522,524,549,550,591,594,626,631,652,654,660,662,677,690,698,700,716,720,722,724,734,737,741,778,792,797,809,812,877,878,948,964,968,994,995,1018,1022 +0420_00044 15,21,29,58,89,96,104,111,117,132,134,135,144,152,153,162,167,175,194,226,247,270,272,282,321,328,354,355,378,380,398,404,442,477,483,486,487,503,504,506,515,522,524,525,526,542,550,583,616,626,631,635,640,652,654,662,666,676,677,686,692,703,714,722,724,741,742,756,768,778,786,793,797,836,849,850,946,947,948,957,964,966,968,974,978,998,1004,1010,1022 +0420_00045 15,20,21,39,74,75,83,89,96,100,111,117,123,134,135,175,183,247,272,282,300,310,311,331,347,352,354,378,380,401,442,469,475,479,483,487,503,504,506,508,524,542,549,550,566,568,605,621,626,627,631,652,654,662,677,686,692,703,714,719,722,727,741,747,772,786,797,836,859,936,948,964,968,978,997,1022 +0420_00046 15,26,28,32,53,66,89,96,99,103,110,133,134,174,175,184,191,201,222,241,245,254,260,263,270,274,309,332,351,353,381,389,403,425,430,439,440,461,473,487,508,512,524,526,540,544,550,565,582,586,587,611,612,619,639,650,654,686,701,702,716,717,739,754,758,782,823,867,886,893,911,932,939,948,956,960,968,1006 +0420_00047 15,21,58,69,89,96,104,111,117,134,135,153,162,167,175,247,272,279,282,326,337,354,376,378,380,442,457,483,486,487,503,504,506,524,542,550,599,626,631,652,654,662,666,677,686,692,703,714,722,724,741,747,768,786,793,797,850,922,946,957,964,966,968,1008,1010,1022 +0420_00048 15,30,58,62,89,94,104,111,134,163,167,175,178,200,207,258,260,270,295,326,337,342,347,360,378,390,392,405,421,430,464,465,475,477,486,494,505,515,521,524,549,550,552,580,585,598,616,626,660,677,689,769,772,778,802,812,821,832,837,844,850,895,921,936,946,948,957,959,964,968,983 +0420_00049 15,20,24,26,35,83,89,96,99,100,105,131,134,137,151,153,168,169,175,178,222,223,244,287,300,327,343,347,387,425,439,450,473,482,484,487,503,505,506,507,508,524,549,550,611,645,662,677,694,716,720,727,739,751,772,786,797,823,840,860,894,908,926,948,952,956,961,968,994 +0420_00050 15,20,21,39,74,75,83,89,96,100,111,117,123,134,135,175,183,247,272,282,300,310,311,331,347,352,354,378,380,401,442,469,475,479,483,487,503,504,506,508,524,542,549,550,566,568,605,621,626,627,631,652,654,662,677,686,692,703,714,719,722,727,741,747,772,786,797,836,859,936,948,964,968,978,997,1022 +0420_00051 3,15,26,76,84,87,89,96,111,134,144,153,163,175,179,188,220,222,223,244,249,254,266,272,279,282,302,306,315,318,332,351,360,380,382,389,398,425,433,439,442,461,473,487,503,504,506,509,524,534,540,542,544,550,561,566,581,583,596,611,612,628,643,652,654,661,662,664,666,677,686,689,692,700,703,711,714,716,722,723,724,729,734,739,741,758,761,762,780,782,786,796,797,810,833,838,840,845,850,883,901,908,916,919,921,923,948,959,964,968,969,976,985,989,994,995,1000,1006,1010 +0420_00052 4,7,12,15,20,26,29,32,38,46,74,83,89,96,113,120,134,140,153,154,163,175,184,187,192,194,197,203,209,217,220,222,223,237,245,254,271,277,282,297,300,310,315,347,351,352,362,364,379,389,398,401,407,422,425,435,439,443,460,461,463,473,475,487,491,496,508,515,518,524,545,549,550,559,565,566,577,583,596,599,600,610,612,622,626,654,662,677,689,700,709,716,720,727,739,741,744,748,749,761,773,781,786,797,805,809,846,850,855,875,914,923,925,931,932,933,936,940,948,963,964,967,968,969,971,973,977,978,983,989,994,995,1006 +0420_00053 15,21,89,96,107,111,117,134,135,144,153,162,175,214,244,247,272,282,326,354,378,380,442,457,483,487,503,504,506,524,534,542,550,626,631,652,654,662,666,677,686,692,703,714,722,724,734,741,747,786,793,797,841,889,922,938,948,964,968,975,994,1008,1022 +0420_00054 15,20,21,34,39,74,75,83,89,100,111,117,123,134,135,170,175,177,183,245,247,260,272,278,300,310,311,331,347,352,354,378,380,401,421,442,469,475,479,505,506,508,515,524,549,550,566,568,605,621,626,627,631,652,654,662,664,666,677,686,692,719,722,727,747,772,778,797,804,812,836,859,936,948,957,964,968,978,997,1022 +0420_00055 15,18,58,89,96,134,153,207,223,253,257,269,272,282,297,320,326,336,340,380,389,410,437,442,483,487,501,503,504,506,542,546,550,576,607,626,652,654,662,702,703,711,714,722,728,741,770,772,783,786,789,797,850,872,879,885,915,941,946,947,948,951,964,968,983,1002,1007,1022 +0420_00056 15,27,30,44,58,60,69,72,89,96,111,134,136,153,170,238,245,268,272,315,351,389,397,429,439,460,462,480,487,503,506,508,524,540,542,550,552,593,621,623,654,662,666,686,714,741,753,776,786,797,850,882,886,898,923,924,943,948,950,968,974,984,995,1002 +0420_00057 15,20,21,39,74,75,83,89,96,100,111,117,123,134,135,175,183,247,272,282,300,310,311,331,347,352,354,378,380,401,442,469,475,479,483,487,503,504,506,508,524,542,549,550,566,568,605,621,626,627,631,652,654,662,677,686,692,703,714,719,722,727,741,747,772,786,797,836,859,936,948,964,968,978,997,1022 +0420_00058 3,15,17,20,26,30,41,57,89,96,134,139,153,163,168,238,248,254,272,275,288,292,300,311,315,321,326,327,328,332,347,351,365,382,398,410,439,442,443,449,456,487,508,517,524,531,540,549,550,568,585,612,621,626,629,648,654,656,686,708,709,714,727,740,785,823,828,850,923,948,964,968,973,995,1006 +0420_00059 15,20,25,26,33,44,66,74,81,89,90,93,96,134,142,160,168,213,238,245,272,282,300,315,316,325,336,347,351,371,380,401,410,429,439,442,447,454,487,488,503,506,508,524,530,540,542,549,550,581,621,623,654,662,686,714,727,741,785,786,789,797,829,850,857,882,923,948,968,973,984,995,1017 +0420_00060 13,15,20,26,29,38,46,83,89,94,96,99,134,168,175,179,187,203,212,217,218,222,223,238,263,277,292,297,300,307,315,321,342,347,351,371,376,385,398,410,417,419,420,439,461,473,508,515,524,549,550,577,602,604,626,634,640,644,657,676,677,686,694,727,734,769,773,785,807,846,850,864,866,868,899,922,923,947,948,964,968,971,995,1006 +0420_00061 15,21,35,44,66,88,89,90,96,111,134,225,230,237,242,245,272,282,291,313,315,351,380,429,438,439,442,447,475,487,503,506,508,524,540,542,550,566,599,621,623,654,662,686,714,716,741,761,772,784,786,797,800,848,850,852,862,881,882,923,948,968,984,995 +0420_00062 12,15,40,82,90,117,134,140,142,153,175,193,202,213,271,308,340,345,384,405,428,442,452,460,465,485,524,529,555,604,610,615,631,636,638,691,697,744,776,788,849,876,882,906,913,948,949,968,969,994,1008,1022 +0420_00063 6,15,20,26,32,60,74,82,84,87,89,96,111,117,128,134,135,144,153,160,175,179,185,189,207,222,223,244,247,254,260,266,272,282,300,302,306,315,318,347,351,360,378,380,389,390,398,425,433,439,442,461,466,473,483,487,503,504,506,508,524,534,542,549,550,561,566,577,581,583,606,609,611,612,626,630,631,643,644,652,654,661,662,666,677,686,692,703,711,714,722,723,724,727,734,739,741,747,762,764,780,782,786,791,796,797,810,811,833,838,850,851,861,863,883,911,916,921,923,948,964,968,969,989,994,995,1006,1010,1012,1022 +0420_00064 15,21,89,96,111,117,134,135,144,153,162,175,214,244,247,272,278,282,309,325,334,348,354,378,380,442,483,487,502,503,504,506,508,524,542,550,626,631,649,652,654,662,677,686,692,703,713,714,722,724,734,741,747,786,793,797,817,850,889,910,948,964,968,975,994,1022 +0420_00065 1,15,21,35,75,89,96,105,111,117,134,135,144,153,160,162,175,188,214,242,244,247,272,282,301,311,352,354,356,378,380,388,405,442,483,487,503,504,506,524,535,542,550,574,580,585,601,626,630,631,652,654,662,677,686,692,703,714,722,724,734,741,747,750,786,789,793,797,823,828,838,870,889,928,936,948,964,968,975,994,1022 +0420_00066 1,4,15,20,26,36,54,58,68,78,85,89,96,122,131,134,139,140,153,163,168,174,209,212,214,218,238,285,300,310,315,321,326,332,347,350,351,369,392,398,410,425,439,461,473,479,487,498,503,508,524,548,549,550,592,626,662,668,680,717,719,725,727,739,767,785,786,797,801,808,819,829,850,923,948,964,968,995,1011,1013,1021 +0420_00067 1,4,5,15,20,26,37,38,46,54,55,78,82,83,89,96,117,120,134,153,154,160,163,175,177,183,184,190,203,207,214,220,222,223,227,237,254,278,290,300,304,310,315,327,328,347,351,352,362,389,395,398,400,401,407,410,425,428,433,435,439,440,442,443,450,454,461,473,487,493,506,508,515,517,524,532,534,549,550,559,577,583,593,599,600,612,654,662,666,677,689,697,707,716,727,730,739,744,748,758,761,772,773,789,797,798,810,815,825,850,856,872,879,895,923,927,932,933,943,948,959,963,964,968,973,994,995,1006,1007,1022 +0420_00068 15,84,89,96,134,163,245,272,278,282,315,332,351,380,419,439,442,479,487,495,503,504,506,508,524,540,542,550,563,580,596,628,645,652,654,662,664,675,686,692,700,703,714,716,717,719,722,729,734,741,761,786,797,820,850,871,908,923,948,959,964,968,969,976,978,995 +0420_00069 1,15,20,44,50,89,90,95,96,111,134,153,225,230,244,245,272,282,300,303,307,310,330,345,347,349,352,380,381,401,422,429,442,447,482,487,503,506,508,524,540,542,549,550,566,580,596,621,628,654,662,666,686,702,714,724,727,734,737,741,770,786,797,852,855,882,906,948,968,984,994 +0420_00070 15,21,89,96,111,117,134,135,144,152,153,162,175,214,226,244,247,263,270,272,282,343,354,355,378,380,404,442,483,487,503,504,506,524,525,526,542,550,583,626,628,631,646,652,654,662,666,677,686,692,703,714,722,724,734,741,742,747,756,778,786,793,797,889,948,964,968,975,978,994,1004,1022 +0420_00071 15,21,58,89,96,104,111,117,132,134,135,144,152,153,162,167,175,194,226,247,270,272,282,354,355,378,380,404,442,477,483,486,487,503,504,506,524,525,526,542,550,583,616,626,631,635,652,654,662,666,677,686,692,703,714,722,724,741,742,747,756,768,778,786,793,797,850,946,948,957,964,966,968,978,1004,1010,1022 +0420_00072 9,10,15,17,18,49,89,96,114,134,146,153,160,172,174,177,210,233,252,254,260,272,297,311,315,326,351,417,437,442,487,521,524,543,550,560,589,609,612,626,628,629,654,680,714,716,783,820,823,850,919,921,923,929,947,948,951,964,968,973,983,993,995,1002,1003,1006,1017,1022 +0420_00073 15,20,26,40,46,51,89,92,96,99,115,131,134,137,139,147,151,153,175,196,222,242,279,300,327,332,347,355,362,375,376,378,384,387,398,421,425,430,437,455,473,487,503,506,508,524,549,550,559,571,573,626,659,662,682,727,739,747,748,786,797,819,823,840,845,850,855,894,908,921,932,940,948,961,968,994 +0420_00074 13,15,52,89,98,99,107,111,117,134,139,158,175,207,218,222,229,247,260,271,317,321,328,333,347,390,421,442,499,505,506,515,522,524,549,550,559,591,594,626,631,634,652,654,660,662,677,690,698,700,716,720,722,737,741,778,789,792,797,802,809,812,858,890,948,960,964,968,1018,1022,1023 +0420_00075 10,15,19,20,26,39,60,89,96,134,135,151,163,168,178,197,198,204,238,250,264,300,306,315,332,333,336,347,351,352,398,410,416,425,432,439,473,487,496,501,503,505,506,508,524,549,550,561,567,596,626,662,686,727,739,785,786,797,811,816,819,825,850,900,923,936,939,948,964,968,985,989,995,1002,1008,1010 +0420_00076 15,20,26,44,66,89,90,93,96,111,128,134,142,153,160,213,226,242,244,245,257,272,282,300,301,336,347,348,371,376,380,401,410,429,442,447,487,488,492,503,506,508,524,540,542,549,550,601,610,613,621,623,654,662,686,714,724,727,734,741,781,785,786,797,809,882,888,893,906,948,968,973,984,994,1017 +0420_00077 12,15,20,23,26,48,49,52,55,80,89,95,96,98,120,127,134,154,155,160,163,175,177,184,203,209,214,218,222,223,227,237,254,260,283,290,295,300,310,315,347,351,352,355,362,363,384,389,398,401,414,418,425,428,430,435,439,443,450,457,459,473,487,493,494,508,517,524,535,549,550,551,553,558,566,577,591,596,599,600,606,612,623,631,677,689,714,716,727,739,748,755,761,773,781,787,794,811,850,876,879,891,900,916,917,921,923,924,925,932,933,943,948,964,968,971,994,995,1006,1011 +0420_00078 4,5,15,26,78,82,96,117,134,153,160,175,177,222,237,272,282,290,304,338,347,380,395,407,440,442,450,487,493,503,506,517,524,532,534,542,550,559,565,599,641,654,662,666,697,707,714,741,744,746,772,786,797,798,856,872,879,895,948,968,994,1022 +0420_00079 15,18,20,23,26,52,62,89,96,106,114,125,134,175,191,208,222,226,237,239,244,245,254,291,297,300,303,310,329,332,340,347,355,360,382,398,401,425,427,438,473,487,493,495,508,512,517,520,524,549,550,612,623,633,663,673,683,686,727,739,740,771,780,793,819,851,861,866,908,939,948,968,973,974,1006 +0420_00080 1,4,7,15,20,21,26,28,30,37,39,47,89,96,111,117,131,134,144,149,151,153,175,189,193,217,225,236,244,245,248,253,264,265,272,282,300,310,327,331,332,344,345,347,352,354,380,381,386,401,433,442,475,477,482,487,498,503,504,506,508,524,531,532,540,542,549,550,566,571,584,587,596,598,605,611,614,621,626,628,649,652,654,661,662,663,664,666,676,681,686,702,705,709,714,716,722,724,727,729,734,737,741,767,770,778,781,784,786,797,819,822,828,837,843,880,906,912,915,924,936,941,948,953,964,967,968,974,976,994,1022 +0420_00081 15,20,21,39,74,75,83,89,96,100,111,117,123,134,135,175,183,247,272,282,300,310,311,331,347,352,354,378,380,401,442,469,475,479,483,487,503,504,506,508,524,542,549,550,566,568,605,621,626,627,631,652,654,662,677,686,692,703,714,719,722,727,741,747,772,786,797,836,859,936,948,964,968,978,997,1022 +0420_00082 15,24,26,31,35,75,89,96,105,116,117,129,134,139,148,155,175,179,189,211,222,223,235,236,250,252,254,255,269,272,279,285,287,295,305,306,315,340,342,345,351,355,360,381,390,392,398,425,435,439,461,473,481,482,487,503,506,524,535,540,542,550,561,574,577,598,604,607,611,612,626,654,662,677,685,689,700,707,714,716,722,731,739,741,758,761,773,776,786,797,810,820,828,838,843,850,881,883,911,915,918,921,923,924,931,936,948,953,964,968,972,974,975,990,995,1006 +0420_00083 15,20,27,32,73,75,86,89,96,99,111,117,129,131,134,153,175,189,218,222,236,244,245,247,271,272,274,278,282,293,300,304,310,315,334,347,351,352,370,374,380,385,401,439,442,445,482,485,487,499,503,504,506,508,511,515,523,524,540,542,549,550,571,594,596,626,628,631,637,652,654,660,662,664,666,677,680,686,688,698,700,705,714,716,720,722,724,727,729,730,734,741,761,786,797,809,850,868,877,878,881,882,889,907,923,929,948,964,968,971,974,976,994,995,1009,1018,1022 +0420_00084 15,26,55,71,74,77,86,89,90,96,106,110,134,163,174,175,179,199,214,220,222,223,226,238,239,245,252,254,262,279,283,306,315,318,332,341,351,360,367,398,399,403,425,430,435,439,446,452,473,487,492,495,505,508,524,528,549,550,559,561,577,603,611,612,635,638,639,647,661,670,677,686,689,701,703,716,731,739,740,741,761,767,773,800,810,819,825,838,848,850,887,921,923,927,939,948,964,968,972,991,995,1006,1017 +0420_00085 15,20,27,44,75,88,89,90,96,134,193,225,230,245,272,282,300,303,310,315,347,351,352,380,393,401,429,439,442,447,482,485,487,503,505,506,508,523,524,540,542,549,550,566,580,596,621,628,654,662,666,686,688,714,716,727,741,761,786,797,850,852,881,882,923,935,948,968,984,995 +0420_00086 15,32,86,89,96,99,111,117,134,153,175,218,222,244,247,271,272,282,334,374,380,385,442,445,483,487,499,503,504,506,511,524,542,550,594,626,631,652,654,660,662,677,698,700,714,716,720,722,724,734,737,741,786,797,809,877,878,948,964,968,994,995,1018,1022 +0420_00087 12,15,26,55,56,61,71,77,86,88,89,90,96,110,113,125,127,134,148,153,163,174,175,179,195,199,215,220,222,223,238,239,245,252,254,260,262,271,274,279,306,315,326,332,336,341,351,360,366,367,398,399,425,430,439,442,446,467,473,475,480,487,505,508,524,550,561,577,584,593,603,611,612,626,632,639,647,661,669,670,677,686,689,701,707,716,731,733,739,743,764,767,773,810,819,823,825,829,838,850,887,891,914,916,921,923,927,948,956,964,968,972,974,983,991,995,1000,1005,1006 +0420_00088 8,15,20,26,51,89,96,105,126,131,134,135,137,138,151,168,174,222,267,279,297,300,315,316,323,327,347,364,377,384,385,387,425,449,473,484,487,503,506,508,514,549,550,565,566,583,662,677,690,692,720,727,736,739,743,750,772,786,797,799,823,840,850,874,894,908,948,961,968,974,983,985,995 +0420_00089 1,15,18,35,49,75,89,96,99,105,117,134,153,162,210,214,223,233,269,272,282,297,301,315,351,356,377,380,388,389,405,417,437,442,483,487,501,503,504,506,521,535,542,550,574,580,585,601,626,630,652,654,662,692,698,702,714,722,741,750,756,770,783,786,789,797,828,838,839,850,870,923,934,936,947,948,964,968,973,982,983,995,1001,1002,1013,1022 +0420_00090 12,15,26,55,60,61,79,86,88,89,96,110,125,127,134,145,148,163,174,175,179,195,199,222,223,245,252,254,271,274,306,308,311,315,332,333,336,351,353,358,360,378,398,399,424,425,430,439,442,461,467,473,475,477,480,487,508,519,524,544,546,550,555,558,561,581,582,593,596,611,612,617,620,636,650,660,669,677,689,701,707,716,739,758,773,782,795,808,810,814,819,823,838,850,858,873,879,891,893,916,921,923,927,943,948,956,958,964,968,971,972,974,983,995,1005,1006,1009,1017 +0420_00091 9,15,20,31,36,49,89,96,131,134,138,156,162,165,175,223,234,242,262,272,282,313,315,351,363,380,387,437,442,487,501,503,504,506,508,540,542,550,614,628,650,652,654,662,664,666,714,716,722,727,729,741,779,786,797,850,871,892,912,923,924,948,964,968,980,983,995,1002 +0420_00092 4,14,15,20,26,35,72,89,92,99,111,121,134,147,151,175,182,205,222,223,233,245,260,273,277,300,339,347,358,365,383,398,409,418,419,461,468,471,473,506,508,515,524,549,566,621,622,632,661,662,668,672,677,681,689,696,705,716,717,727,778,797,823,827,833,840,845,849,864,869,877,890,948,950,952,959,964,968,971,972 +0420_00093 4,15,20,26,29,46,56,60,80,89,96,117,134,151,163,164,168,193,198,204,212,238,250,263,274,300,315,332,333,347,351,394,398,410,412,419,427,437,439,472,473,501,505,508,515,522,524,525,544,549,550,551,561,565,567,594,596,602,611,626,630,640,676,686,705,713,727,744,762,763,778,785,788,800,803,805,806,819,842,850,897,898,923,932,937,939,947,948,950,957,958,964,968,995,997,1005,1006,1011 +0420_00094 6,15,20,24,26,32,35,44,49,60,75,84,87,89,96,105,111,116,117,128,134,144,153,160,175,179,185,189,207,222,223,235,236,244,250,254,255,260,266,269,272,300,302,306,308,315,318,347,351,360,390,392,398,425,433,461,473,487,503,506,508,524,534,535,540,542,549,550,561,566,574,581,583,598,606,611,612,640,643,644,654,661,662,666,676,677,707,711,714,724,727,734,739,741,762,776,779,780,782,786,796,797,810,828,833,838,843,850,861,863,869,883,911,916,921,923,924,931,948,964,968,969,975,989,990,994,995,997,1006,1010,1012 +0420_00095 15,22,24,25,26,77,89,96,105,108,128,134,135,153,212,244,252,254,274,307,350,360,396,425,473,477,482,487,522,524,546,550,561,566,596,611,612,615,626,631,634,641,681,686,705,739,758,788,810,819,830,840,883,898,905,918,932,936,948,964,968,994,998,1006,1017 +0420_00096 15,26,31,35,37,66,89,96,99,111,112,133,134,145,173,175,178,180,222,241,245,260,264,276,306,327,352,359,384,401,425,461,473,487,503,508,514,524,540,544,550,563,566,586,596,662,686,702,711,739,762,782,785,786,797,823,825,877,895,904,908,925,933,935,948,968,979,999,1001,1012 +0420_00097 15,20,25,26,32,34,38,67,73,89,96,99,102,110,111,114,129,131,134,137,151,153,175,178,190,209,221,222,238,247,257,276,294,299,300,321,327,332,339,346,347,355,387,425,431,441,444,451,461,473,485,487,497,503,506,508,511,515,520,522,523,524,544,549,550,553,559,563,573,574,598,620,646,662,677,681,682,691,711,727,735,739,757,764,766,767,772,783,786,792,797,804,813,823,836,840,844,847,848,853,857,868,869,881,882,894,901,908,918,930,939,946,948,961,968,973,974,975,985,994,1002,1009,1023 +0420_00098 12,15,26,53,66,89,96,99,133,134,145,174,175,181,184,205,222,241,245,254,277,278,315,326,335,347,351,425,430,439,461,473,487,508,512,524,532,540,549,550,555,565,566,586,607,611,612,623,677,686,701,702,711,713,716,717,720,739,754,761,762,771,782,794,823,836,850,860,923,928,931,932,948,956,961,968,983,995,1006,1012,1022 +0420_00099 12,15,26,55,61,71,77,86,88,89,90,96,110,125,127,134,148,163,174,175,179,195,199,220,222,223,238,239,245,252,254,260,262,271,274,279,306,315,332,336,341,351,360,367,398,399,425,430,435,439,442,446,467,473,475,480,487,492,505,508,524,550,561,577,593,603,611,612,639,647,661,669,670,677,686,689,701,703,707,716,731,733,739,761,764,767,773,810,819,823,825,838,850,887,891,916,921,923,927,948,956,964,968,972,974,983,991,995,1000,1005,1006 +0420_00100 15,17,20,89,96,114,117,134,152,174,175,184,201,242,252,254,272,278,312,315,363,364,398,417,442,449,456,487,508,520,524,534,550,598,612,614,626,629,654,656,660,666,686,714,755,806,812,820,823,850,875,896,900,921,925,936,948,958,964,966,968,998,1006,1022 +0420_00101 15,20,26,31,32,56,74,89,96,101,111,115,117,118,119,131,134,137,153,162,175,193,245,248,272,282,288,300,329,345,347,358,366,380,385,410,442,458,487,503,506,508,524,542,549,550,575,583,631,654,662,669,677,683,714,715,727,729,741,747,767,776,785,786,797,798,819,838,930,948,968,994,1022 +0420_00102 5,15,20,21,34,70,75,89,111,117,123,134,135,170,175,177,199,201,245,247,254,260,272,278,300,310,331,340,347,350,352,354,378,380,391,394,401,421,442,467,469,475,505,506,508,515,524,540,549,550,566,586,626,631,652,654,662,664,666,677,686,692,698,719,722,727,747,778,797,804,812,836,911,936,948,957,964,968,978,1002,1022 +0420_00103 15,20,84,89,96,131,134,163,194,198,203,272,282,284,300,310,315,332,345,347,351,352,380,401,439,442,487,503,504,506,508,523,524,540,542,549,550,582,596,612,628,652,654,662,664,686,688,692,700,703,714,716,722,727,729,734,741,761,786,797,850,898,908,923,948,959,964,968,969,976,995 +0420_00104 8,15,26,27,55,88,89,96,99,111,133,134,144,146,153,160,175,177,180,184,192,196,197,202,207,211,222,223,233,244,248,254,284,309,316,332,334,350,356,357,365,398,403,405,406,425,438,467,468,473,475,480,487,493,513,524,544,550,558,573,583,596,607,611,612,615,616,623,632,638,645,659,661,676,677,689,694,716,720,724,734,739,752,798,799,806,809,811,813,819,823,835,852,872,873,924,945,948,963,964,968,973,976,994,996,1006,1007 +0420_00105 15,26,45,88,89,91,97,133,134,147,151,153,187,189,197,224,242,244,245,260,261,330,347,358,409,421,461,465,473,479,489,499,505,508,515,524,536,549,550,556,566,611,662,691,711,727,728,762,776,778,782,812,819,823,825,841,843,844,849,852,853,877,881,889,932,948,964,968,994,1006,1015,1023 +0420_00106 1,3,4,15,20,26,39,43,59,74,83,89,96,111,115,117,119,131,134,137,153,175,185,193,200,241,244,255,272,278,282,284,300,310,318,328,345,347,349,352,380,381,401,405,406,410,442,452,466,471,472,473,482,487,503,506,508,511,515,524,527,531,540,542,544,549,550,551,566,567,571,578,583,594,596,606,611,612,626,628,631,654,662,666,667,677,686,697,700,702,705,712,714,724,727,734,737,741,746,770,778,782,785,786,797,798,805,819,820,842,846,855,871,877,906,948,964,968,994,996,1004,1022 +0420_00107 4,15,20,26,43,74,83,89,111,115,117,131,134,137,151,152,153,175,193,244,255,278,300,318,328,347,402,405,410,442,452,472,486,506,508,511,515,524,527,531,544,549,571,583,594,611,631,654,662,667,672,677,700,705,712,724,727,734,746,778,782,785,797,798,819,828,829,842,871,877,948,964,968,994,1004,1022 +0420_00108 15,17,20,27,44,75,80,89,92,96,134,163,193,221,244,245,254,272,298,300,310,315,347,351,352,393,401,439,442,482,485,487,505,508,523,524,531,540,549,550,566,585,596,612,628,629,633,654,666,686,688,704,708,714,716,727,728,761,776,850,881,882,898,923,935,948,968,969,995,1006,1024 +0420_00109 15,26,55,60,74,79,86,89,96,106,110,134,145,163,174,175,179,182,199,214,222,223,226,239,245,252,254,262,274,283,306,308,311,315,318,332,333,341,351,353,358,360,378,398,399,403,424,425,430,439,452,461,473,475,477,487,508,524,528,544,546,549,550,555,558,559,561,581,582,596,611,612,617,620,636,638,650,660,677,689,701,716,739,740,758,761,773,782,795,800,808,810,814,819,838,848,850,858,873,879,893,902,911,921,923,927,939,943,948,952,964,968,971,972,995,1006,1009,1017 +0420_00110 2,14,15,17,20,26,81,87,89,96,99,100,111,134,144,153,175,205,219,222,223,233,244,245,251,273,285,300,323,327,347,349,367,387,398,403,425,468,473,487,492,503,506,508,524,549,550,607,635,643,661,662,668,677,705,724,727,734,737,739,786,797,814,823,845,850,908,909,936,943,948,961,964,968,988,994,1008,1015 +0420_00111 4,15,20,26,56,59,68,77,89,96,134,151,175,195,198,222,223,248,254,276,281,300,315,319,340,347,351,359,398,413,425,439,451,473,480,487,508,524,549,550,555,577,612,618,626,677,711,725,727,739,742,751,770,773,802,819,840,850,855,864,869,885,911,921,923,927,929,936,948,964,968,969,974,977,995,1006,1024 +0420_00112 4,15,21,89,107,111,117,134,135,144,151,153,162,175,214,244,247,278,326,328,347,354,364,378,402,442,457,486,506,515,524,534,549,626,631,652,654,662,666,672,677,686,692,705,722,724,727,734,778,793,796,797,828,829,836,841,877,889,922,938,948,964,968,975,994,1008,1022 +0420_00113 15,21,28,32,35,89,96,111,117,134,135,138,142,144,153,162,175,214,233,244,247,263,270,272,282,309,329,354,378,380,398,400,442,478,483,487,499,503,504,506,524,542,550,626,631,646,651,652,653,654,662,677,686,689,692,703,714,722,724,730,734,741,747,786,793,797,889,948,964,968,975,978,980,994,1004,1022 +0420_00114 8,15,29,75,89,96,117,134,135,153,175,188,214,247,272,282,286,301,315,351,354,356,363,378,380,388,389,405,436,439,442,483,487,503,504,506,514,515,522,524,542,550,572,577,580,585,601,610,626,630,631,640,652,654,662,676,677,684,686,692,703,714,722,723,741,747,750,756,786,789,797,828,838,839,849,850,870,923,934,936,947,948,953,964,968,974,982,985,995,1013,1022 +0420_00115 15,21,56,58,62,76,89,96,104,111,124,134,153,167,175,178,180,200,260,272,310,326,378,408,475,476,486,487,503,506,520,524,542,550,553,583,626,652,654,660,662,666,677,686,689,714,722,741,769,772,786,797,850,886,895,927,946,957,964,968,987,1000,1006 +0420_00116 15,20,21,55,58,59,81,87,89,96,104,111,117,134,135,167,175,223,247,251,272,282,285,300,347,349,354,367,373,378,380,403,414,442,483,486,487,503,504,506,508,524,542,549,550,614,626,631,643,652,654,662,677,686,692,702,703,714,722,727,737,741,747,786,797,808,814,850,877,935,943,946,948,957,964,966,968,1022 +0420_00117 15,20,21,26,68,84,89,93,99,101,102,104,110,114,131,134,137,139,142,151,153,175,188,222,223,235,271,283,300,309,318,332,347,353,354,355,370,376,379,412,422,426,471,473,484,487,490,506,508,509,513,515,524,526,549,550,559,573,574,588,589,598,620,625,626,630,633,635,640,643,662,668,677,692,721,723,724,727,739,771,781,795,797,813,823,828,836,838,840,844,847,859,863,870,873,889,901,908,914,915,919,948,952,968,973,991,994,1005 +0420_00118 15,24,34,35,75,87,89,96,105,117,134,153,189,235,236,250,255,269,272,310,315,326,351,392,421,430,461,487,503,506,535,540,542,550,574,598,626,654,662,666,707,714,741,776,786,797,828,833,843,850,910,922,923,924,931,948,955,968,975,982,990,995,1000,1008 +0420_00119 1,4,15,20,26,36,54,58,68,78,85,89,96,122,131,134,139,140,153,163,168,174,209,212,214,218,238,285,300,310,315,321,326,332,347,350,351,369,392,398,410,425,439,461,473,479,487,498,503,508,524,548,549,550,592,626,662,668,680,717,719,725,727,739,767,785,786,797,801,808,819,829,850,923,948,964,968,995,1011,1013,1021 +0420_00120 15,26,32,79,83,89,103,110,134,153,171,174,175,179,189,191,201,222,223,245,252,254,260,270,274,306,308,332,347,353,398,403,409,421,434,439,440,461,465,473,505,508,515,524,526,540,544,546,549,550,551,561,581,582,611,617,620,639,650,677,689,716,754,757,758,773,778,782,810,812,838,867,873,886,893,921,939,948,964,968,972,1006,1017 +0420_00121 15,20,26,43,74,83,89,107,111,115,117,131,134,137,153,175,193,194,244,255,260,300,318,328,333,347,354,385,405,410,421,442,452,472,505,506,508,511,515,522,524,527,531,544,549,550,571,583,591,594,611,631,654,662,677,690,700,712,724,727,734,741,746,778,785,792,797,798,812,819,842,871,948,964,968,994,1004,1022 +0420_00122 15,20,21,26,81,87,89,96,111,117,134,135,144,153,175,219,223,244,247,251,272,282,285,300,347,349,354,367,378,380,403,432,442,483,487,503,504,506,508,524,542,549,550,573,626,631,635,643,652,654,662,677,686,692,703,705,714,722,724,727,734,737,741,747,786,797,808,814,850,877,889,936,943,948,964,968,994,1022 +0420_00123 15,20,26,31,43,74,89,96,111,115,117,119,131,134,137,153,175,193,244,255,272,282,300,318,347,380,385,405,410,442,452,472,487,503,506,508,511,524,527,531,542,544,549,550,571,583,594,611,631,654,662,677,700,712,714,724,727,734,741,746,785,786,797,798,819,842,871,948,964,968,994,1004,1022 +0420_00124 4,15,20,23,25,26,32,38,68,89,90,94,100,134,136,158,173,175,177,182,196,213,222,223,226,248,256,258,274,283,287,295,300,310,315,339,347,351,370,382,385,386,388,401,416,433,439,450,455,459,473,474,476,484,500,502,507,508,515,521,524,528,542,549,561,563,577,596,611,654,657,672,677,686,705,715,716,727,741,760,761,771,772,778,785,795,798,801,806,831,838,842,850,866,878,898,923,932,935,947,948,953,954,964,968,969,970,973,982,995,1006,1014 +0420_00125 15,20,28,32,58,73,89,96,104,118,125,134,138,142,151,153,167,170,174,230,233,234,240,260,270,272,282,300,309,311,326,327,329,330,339,346,347,369,380,396,398,400,435,442,461,465,471,478,483,487,491,499,503,504,506,508,518,542,549,550,562,626,651,652,653,654,660,662,664,667,689,695,714,715,717,719,722,727,741,764,786,787,791,797,804,840,850,864,869,885,936,946,948,950,968,974,977,978,1011,1022 +0420_00126 4,15,20,21,35,72,89,92,111,117,121,134,135,151,175,247,260,278,300,328,339,347,354,358,364,378,383,402,430,442,461,471,486,506,508,515,524,549,566,608,621,622,626,631,652,654,662,672,677,681,686,692,705,716,717,722,727,733,778,796,797,828,829,833,836,840,849,864,869,877,948,950,964,968,969,972,997,1022 +0420_00127 15,20,23,26,39,52,55,62,89,93,96,134,138,191,212,222,227,231,237,239,244,252,254,260,271,297,300,310,337,340,341,347,384,391,394,401,425,449,473,487,490,493,502,503,508,517,520,524,549,550,565,572,576,597,598,610,612,623,626,627,633,642,663,683,720,726,727,733,739,784,819,820,908,948,968,983,988,1006,1011 +0420_00128 15,18,20,23,26,52,62,89,96,114,134,175,191,198,222,223,237,239,244,252,254,257,269,283,297,300,310,340,347,355,360,363,401,425,427,473,487,493,495,508,512,517,520,524,549,550,558,596,612,623,631,633,663,673,677,683,686,727,739,771,794,819,861,865,866,917,939,948,968,974,1006 +0420_00129 1,4,15,20,26,36,58,59,68,78,89,96,122,129,131,134,140,153,163,164,168,174,209,212,214,218,238,300,315,321,332,347,348,350,351,369,393,398,410,425,439,461,473,479,487,498,503,508,524,544,548,549,550,592,648,662,680,699,717,719,725,727,739,762,767,785,786,797,801,808,819,829,833,850,886,904,923,948,959,964,968,989,995,1011,1013,1021 +0420_00130 8,14,15,17,20,26,38,46,55,61,62,83,89,96,118,120,134,147,154,163,166,175,184,202,203,212,220,222,223,227,235,245,254,272,284,300,305,310,315,321,323,327,347,351,362,365,370,389,398,401,417,425,428,435,439,442,443,445,461,469,473,487,492,499,501,508,524,531,540,549,550,566,577,585,596,600,601,612,621,628,629,632,648,654,677,686,687,689,708,711,714,716,723,727,732,739,743,747,748,761,768,773,781,801,819,823,843,845,850,885,910,917,923,932,933,943,948,964,968,973,987,995,1006,1023 +0420_00131 15,17,20,89,96,117,120,130,134,174,175,201,242,252,254,272,300,310,313,315,326,347,351,362,389,401,417,439,442,444,487,508,524,549,550,559,577,600,612,629,631,644,654,664,677,682,686,713,714,716,723,727,744,748,761,784,820,823,850,921,923,924,939,948,964,968,969,995,1006,1022 +0420_00132 4,15,26,32,73,89,96,98,101,105,106,134,153,168,174,175,211,218,222,233,237,254,272,303,314,323,326,341,344,364,406,408,427,483,487,504,524,550,559,572,612,626,654,662,666,689,714,733,744,746,757,786,820,825,837,844,882,921,940,948,968,994,997,1006,1020,1022 +0420_00133 4,15,20,26,27,43,74,75,83,89,96,111,115,117,131,134,137,147,152,153,175,189,193,234,236,244,255,272,278,282,300,310,315,318,328,339,347,351,352,373,380,401,402,405,410,439,442,452,472,482,485,487,503,504,506,508,511,512,515,523,524,527,531,540,542,544,549,550,571,583,594,596,611,616,628,631,637,652,654,662,664,666,677,681,686,688,700,705,712,714,716,722,724,727,729,730,734,741,746,761,778,782,785,786,797,798,819,842,850,871,881,882,908,923,929,948,949,964,968,974,976,994,995,1004,1022 +0420_00134 15,20,21,35,72,89,92,96,111,117,121,134,135,151,175,247,260,272,282,300,339,347,354,358,378,380,383,430,442,461,471,483,487,503,504,506,508,524,542,549,550,566,608,621,622,626,631,652,654,662,677,681,686,692,703,714,716,717,722,727,733,741,747,786,797,833,840,849,864,869,948,950,964,968,969,972,997,1022 +0420_00135 4,15,20,26,60,73,80,89,96,117,120,134,135,141,160,163,164,168,198,204,212,215,238,250,254,262,274,300,304,315,332,333,347,351,360,368,394,398,401,410,417,425,427,437,439,472,473,487,498,501,505,508,515,522,524,525,549,550,551,561,565,567,594,596,611,612,686,705,713,717,727,737,739,744,762,763,768,778,785,787,803,810,819,825,830,842,850,898,923,931,932,939,948,950,957,964,968,995,997,1006,1010 +0420_00136 4,15,18,19,20,21,23,26,44,52,62,70,89,94,98,114,134,148,152,153,173,175,199,209,222,223,237,239,244,252,257,263,270,274,281,283,297,300,310,312,336,340,347,355,360,361,363,401,403,427,473,476,479,493,495,508,512,515,517,520,521,522,524,535,539,549,550,558,578,585,596,623,626,631,633,662,663,673,677,683,686,700,725,727,738,777,794,797,811,817,819,850,861,865,866,868,874,917,939,946,948,955,967,968,974,1006 +0420_00137 15,26,55,96,125,134,153,175,196,201,202,210,222,237,245,272,275,277,361,395,399,421,422,424,472,482,487,503,506,508,513,514,517,524,529,542,550,559,626,638,654,662,667,714,741,756,766,786,792,797,804,855,859,899,911,916,917,923,948,952,968,970,994,1016,1022 +0420_00138 15,20,21,35,72,89,92,96,111,117,121,134,135,151,175,247,260,272,282,300,339,347,354,358,378,380,383,430,442,461,471,483,487,503,504,506,508,524,542,549,550,566,608,621,622,626,631,652,654,662,677,681,686,692,703,714,716,717,722,727,733,741,747,786,797,833,840,849,864,869,948,950,964,968,969,972,997,1022 +0420_00139 6,8,9,12,15,18,20,35,37,40,58,60,63,69,74,89,92,96,105,111,117,121,134,136,142,151,153,155,168,169,175,198,207,218,250,253,260,272,298,300,306,310,315,335,339,340,347,348,351,358,372,383,389,398,400,405,414,439,442,443,452,461,471,480,485,487,508,524,529,540,549,550,559,566,577,579,596,609,615,624,631,638,653,654,674,677,681,686,691,694,696,697,700,709,714,716,717,722,723,727,743,744,747,774,791,813,816,833,840,844,847,849,850,851,853,862,863,864,869,898,909,913,923,948,950,964,967,968,972,989,995,1017,1022 +0420_00140 15,20,26,89,96,99,102,110,114,131,134,137,139,142,151,153,175,222,223,247,271,300,309,327,347,354,355,387,425,426,473,487,503,506,508,513,524,549,550,559,574,598,620,630,635,643,662,668,677,692,715,723,727,739,786,795,797,813,823,838,840,847,863,870,894,901,908,914,919,948,961,968,973,994 +0420_00141 4,10,12,15,17,58,61,90,96,108,117,120,134,154,157,175,180,234,245,252,255,272,282,314,380,381,385,393,405,429,430,442,476,483,487,493,503,506,508,513,524,531,533,542,549,550,556,560,566,603,611,654,662,714,734,741,786,797,850,865,882,910,931,946,961,968,973,984,987,1010,1022 +0420_00142 6,15,20,51,60,89,96,117,133,134,135,148,175,207,247,272,278,282,300,315,347,351,378,380,389,439,442,483,487,503,504,506,508,524,542,549,550,577,591,598,609,626,630,631,652,654,662,677,684,686,692,703,714,722,723,727,741,747,755,769,786,791,797,850,851,863,865,923,948,964,968,976,995,1022 +0420_00143 15,32,58,89,96,117,134,135,153,175,178,207,247,272,282,326,336,378,380,441,442,483,487,503,504,506,524,542,550,576,608,626,631,652,654,662,676,677,686,692,703,714,720,722,728,741,747,772,786,789,797,826,850,879,915,934,941,946,952,964,968,979,1007,1022 +0420_00144 4,15,20,21,26,31,32,41,54,59,80,89,96,100,111,117,119,131,134,137,153,160,168,175,193,195,197,203,222,223,272,282,284,294,300,304,309,347,355,358,379,380,402,410,424,426,433,442,456,473,478,487,503,506,508,510,515,516,524,542,549,550,551,559,561,572,574,594,603,604,619,626,630,633,654,655,662,668,677,686,689,692,703,705,714,722,723,727,737,741,745,762,778,785,786,795,797,806,814,815,819,833,838,839,844,848,855,860,872,886,887,893,898,914,920,931,932,948,951,954,961,964,968,977,982,994,996,1006,1011,1017,1022 +0420_00145 15,32,34,86,89,99,111,117,134,153,170,175,177,218,222,244,245,247,260,271,278,334,347,370,374,380,385,421,442,445,499,505,506,511,515,524,549,550,594,626,631,652,654,660,662,664,666,677,698,700,716,720,722,724,734,778,797,804,809,812,877,878,948,957,964,968,994,995,1018,1022 +0420_00146 15,17,18,20,23,26,37,47,52,62,73,89,96,101,105,108,114,117,129,134,152,153,174,175,222,223,237,239,244,252,254,257,263,272,283,295,297,300,303,310,331,340,347,355,360,363,380,401,402,408,417,421,427,431,435,439,442,473,487,493,495,508,512,515,517,520,521,524,530,535,549,550,558,559,596,612,623,629,631,633,636,639,654,657,663,669,673,677,683,686,695,711,713,714,727,730,755,794,819,820,823,861,865,866,869,871,875,896,917,918,921,939,948,967,968,974,994,1006,1022 +0420_00147 7,15,23,26,36,52,89,96,108,110,127,134,175,183,209,222,223,237,240,244,268,283,304,306,308,336,355,363,425,452,458,473,479,487,503,517,524,550,596,624,631,662,663,677,683,723,739,779,786,794,797,851,865,968 +0420_00148 4,15,18,20,23,26,44,52,62,89,98,114,134,148,152,153,175,222,223,237,239,244,252,257,263,270,281,283,297,300,310,336,340,347,355,360,363,401,403,427,473,493,495,508,512,515,517,520,521,524,535,549,550,558,596,623,631,633,663,673,677,683,686,725,727,794,819,861,865,866,874,917,939,948,968,974,1006 +0420_00149 15,20,26,29,38,46,58,65,83,89,96,120,127,134,140,153,154,163,175,184,203,220,222,223,226,244,245,254,300,310,315,327,328,330,347,348,351,353,362,389,398,401,425,435,439,443,461,465,470,473,486,487,508,518,524,549,550,569,577,599,600,612,626,640,656,677,683,689,697,700,716,727,739,748,761,769,770,773,781,783,809,850,923,925,932,933,948,963,964,967,968,995,1006,1018,1020 +0420_00150 15,17,20,26,46,51,89,92,96,101,105,108,117,131,134,139,143,145,153,175,222,237,245,246,254,256,272,300,303,347,351,380,402,408,410,417,437,442,487,508,517,524,528,548,549,550,551,556,559,581,596,612,626,629,631,633,654,669,677,711,713,714,727,755,785,823,855,869,911,927,948,958,968,994,1006,1022 +0420_00151 53,76,96,134,146,155,175,189,220,254,272,332,364,373,390,405,409,452,456,465,479,483,487,488,513,519,529,550,573,574,596,598,615,635,638,654,662,669,710,714,832,841,844,854,867,872,895,901,929,948,968,981,1019 +0420_00152 4,5,15,20,21,33,34,56,75,89,111,117,120,123,134,135,151,164,170,175,177,196,199,201,212,245,247,254,260,269,272,278,300,310,317,331,347,350,351,352,354,378,380,393,394,401,421,437,438,442,467,469,475,505,506,508,515,517,524,549,550,551,566,626,631,652,654,662,664,666,677,686,692,705,718,719,722,727,744,747,762,778,797,800,803,804,812,833,842,897,911,937,948,957,964,968,978,1011,1022 +0420_00153 4,13,15,44,48,96,108,117,134,175,180,213,245,251,272,274,281,282,301,332,342,380,385,393,405,412,429,437,442,449,452,475,487,503,506,508,524,529,542,550,556,566,603,611,654,662,683,686,689,714,726,733,741,772,786,797,800,882,961,968,969,973,984,987,989,1010,1022 +0420_00154 4,15,20,26,56,71,89,96,99,100,134,135,136,151,163,164,187,212,244,254,261,274,279,288,301,315,332,335,347,351,360,425,437,439,455,462,473,477,478,487,503,508,511,515,522,524,549,550,551,561,565,580,596,611,612,686,704,705,716,727,739,743,744,758,761,762,766,778,800,803,810,813,819,821,830,842,850,897,898,899,923,932,937,948,964,968,986,995,1006,1011 +0420_00155 1,4,5,15,20,26,30,39,83,86,89,96,111,115,117,119,131,134,137,152,153,169,175,189,193,203,221,236,244,245,272,278,282,300,306,310,318,328,331,339,345,347,352,354,380,381,388,401,410,438,442,482,487,498,503,504,506,508,511,512,515,524,531,532,536,539,540,542,545,549,550,560,566,583,596,611,616,628,652,653,654,662,664,666,667,669,671,677,686,702,705,714,722,724,727,729,734,737,741,745,761,770,778,782,785,786,797,798,819,871,877,883,906,908,911,923,934,948,949,964,968,974,976,994,997,1022,1023 +0420_00156 20,26,35,58,75,96,105,117,134,153,156,204,205,214,245,251,254,258,269,272,278,291,298,300,301,310,346,347,356,405,457,461,464,487,503,506,508,522,535,542,549,550,569,574,580,585,626,630,640,653,654,656,657,662,665,689,714,727,741,763,771,776,786,797,808,817,828,838,855,936,948,950,963,968,994,1006 +0420_00157 4,15,18,20,23,26,53,62,89,96,99,102,110,114,130,131,134,137,139,140,151,153,160,175,176,178,193,197,204,205,207,222,223,242,247,248,283,290,294,298,300,320,327,329,336,339,343,347,355,356,382,383,387,397,405,408,418,425,455,461,471,473,487,493,495,503,506,508,524,549,550,563,598,605,609,612,620,626,631,636,642,658,662,677,681,682,683,694,705,707,714,718,727,731,736,739,741,750,772,778,781,782,786,794,797,813,814,819,823,838,840,847,855,863,866,894,901,908,916,923,924,933,942,948,951,961,968,971,973 +0420_00158 15,20,26,66,87,89,93,96,111,130,134,175,178,192,199,222,238,245,254,276,280,290,299,300,305,341,342,347,357,425,430,452,461,466,473,483,484,487,493,503,508,520,524,549,550,556,572,574,576,598,612,623,626,638,659,689,706,716,720,727,739,746,758,770,780,783,785,789,819,820,906,908,916,948,963,968,994,1006 +0420_00159 15,20,26,47,62,64,87,89,93,96,111,134,175,178,199,222,226,239,245,254,280,300,305,310,333,347,401,410,416,425,430,452,454,473,480,483,487,493,503,508,512,520,524,549,550,572,574,576,612,623,626,633,638,640,643,686,716,727,739,742,780,783,785,798,814,819,820,855,873,908,916,923,948,968,977,988,994,1006 +0420_00160 14,15,20,23,26,28,32,51,61,80,89,90,96,99,102,110,111,114,120,127,129,131,134,137,151,153,154,155,163,175,190,191,195,203,216,222,223,247,254,276,283,292,300,314,327,329,336,339,346,347,355,370,378,387,389,392,418,425,426,444,461,470,473,486,487,492,503,506,508,517,521,524,544,549,550,553,559,598,602,608,610,611,612,620,661,662,670,677,707,713,727,739,764,781,786,792,794,797,813,816,819,823,840,847,848,877,894,901,906,908,913,916,917,926,948,961,968,973,974,984,994,1005,1006,1023 +0420_00161 3,15,24,58,73,89,96,104,110,117,134,153,170,174,175,192,206,230,240,245,260,272,282,311,324,326,327,330,346,347,369,374,380,383,388,396,422,424,434,435,438,442,450,461,471,483,487,503,504,506,508,524,542,550,562,603,626,651,652,654,660,662,667,686,692,701,703,714,716,717,719,722,741,747,756,759,778,786,787,791,797,804,846,850,857,885,902,920,936,946,950,964,968,969,974,977,1018,1022 +0420_00162 3,15,24,58,73,89,96,104,110,117,134,153,170,174,175,192,206,230,240,245,260,272,282,311,324,326,327,330,346,347,369,374,380,383,388,396,422,424,434,435,438,442,450,461,471,483,487,503,504,506,508,524,542,550,562,603,626,651,652,654,660,662,667,686,692,701,703,714,716,717,719,722,741,747,756,759,778,786,787,791,797,804,846,850,857,885,902,920,936,946,950,964,968,969,974,977,1018,1022 +0420_00163 15,18,20,23,26,52,53,62,89,93,96,134,175,186,191,222,223,237,239,241,244,254,257,260,283,300,310,340,347,355,360,363,401,425,473,487,493,495,502,503,508,517,520,524,549,550,558,572,576,596,598,612,623,626,631,633,663,673,677,683,727,739,794,819,820,865,908,917,948,968,974,988,1006 +0420_00164 20,23,26,35,58,75,96,105,115,117,134,153,182,205,212,245,251,253,254,258,269,272,278,291,300,301,346,347,405,461,474,476,487,503,506,508,522,535,542,545,549,550,555,574,580,584,585,599,611,630,640,653,654,656,662,689,714,727,739,741,771,776,786,797,808,828,838,871,886,936,948,959,963,968,994,1006 +0420_00165 1,12,15,26,54,62,63,65,67,94,96,128,134,139,153,180,183,200,228,232,245,289,322,330,332,342,359,405,439,442,444,451,461,476,487,494,495,508,513,515,519,524,536,544,550,555,559,569,573,576,577,584,603,613,616,625,626,641,660,672,723,731,760,806,830,854,855,898,935,948,968,994,996,1012 +0420_00166 15,35,84,89,96,110,117,134,175,192,206,245,260,272,278,282,324,374,380,383,388,419,422,424,438,442,450,461,471,483,487,502,503,504,506,508,524,542,550,603,626,652,654,662,675,686,688,692,703,714,716,717,722,741,747,756,786,797,837,846,850,857,884,902,906,920,948,950,964,968,969,972,1014,1018,1022 +0420_00167 15,20,23,26,49,87,89,93,104,111,134,175,178,198,199,222,230,245,260,263,279,280,283,300,305,316,337,347,392,405,421,430,452,473,479,483,487,493,503,505,508,515,521,524,549,550,572,574,576,623,626,638,650,656,682,712,716,727,728,778,779,780,783,812,819,820,823,908,916,948,960,968,994,995,1006 +0420_00168 15,20,21,35,39,74,75,83,89,100,111,117,123,134,135,175,183,207,220,247,272,300,310,311,321,328,331,347,352,354,378,401,442,469,475,479,506,508,515,522,524,542,549,550,566,568,599,605,615,621,626,627,631,652,654,662,677,686,692,703,719,722,727,741,772,797,802,836,838,859,936,948,964,968,978,997,1009,1022 +0420_00169 3,4,7,15,20,25,26,33,36,44,58,78,89,96,121,134,141,145,153,160,177,179,196,209,218,229,232,245,260,277,293,300,304,318,347,386,395,398,410,421,425,427,439,461,473,479,487,491,503,508,511,524,544,549,550,551,592,603,656,662,666,671,680,683,686,699,712,717,719,727,734,735,737,739,741,745,767,772,785,786,797,825,829,850,855,858,861,911,924,930,940,948,952,959,963,964,968,973,974,978,1010 diff --git a/processed_data/0420/0420_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0420/0420_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..687c9d7ce --- /dev/null +++ b/processed_data/0420/0420_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 9,14,15,16,26,52,58,64,82,88,89,96,99,104,108,111,113,117,134,152,153,175,184,207,216,222,223,226,237,245,261,270,272,273,280,282,291,316,330,353,357,365,371,380,409,442,465,473,479,483,487,503,504,506,508,509,524,529,542,550,601,626,629,640,652,654,662,666,674,677,686,691,693,700,714,722,741,761,772,778,786,797,806,817,823,826,828,845,850,859,866,893,929,931,933,939,941,946,948,963,964,968,973,981,983,987,1018,1022 +0420_00002 14,15,58,89,96,130,134,157,175,177,182,210,242,272,276,282,304,315,351,380,382,425,429,439,442,480,487,503,506,524,542,550,593,630,654,662,684,714,726,741,772,786,797,841,850,873,882,923,931,948,963,968,974,984,995,1013,1018,1021 +0420_00003 15,17,20,24,26,52,80,88,89,96,99,103,134,148,153,175,188,222,223,254,311,315,326,351,360,421,425,434,439,450,454,473,487,508,521,524,550,561,570,577,587,591,612,626,632,656,677,680,713,727,739,751,762,772,786,792,810,813,838,850,857,923,942,948,964,968,981,984,995,997,1006 +0420_00004 15,26,39,41,52,89,94,96,99,110,134,151,159,175,207,222,223,233,264,274,280,290,297,305,326,377,421,425,433,439,450,461,473,482,487,503,517,524,544,550,554,561,581,587,593,626,628,638,650,662,677,686,688,727,739,758,781,782,786,797,811,825,838,873,893,922,932,936,964,968,1001 +0420_00005 15,18,26,28,58,65,67,89,96,123,134,151,160,183,202,205,207,238,245,246,261,272,273,278,287,299,363,382,387,394,397,425,461,472,473,482,487,492,503,506,508,524,526,550,555,566,660,662,666,674,686,711,735,739,748,750,762,763,782,786,797,809,811,850,872,909,918,923,946,948,961,964,968 +0420_00006 2,13,15,26,39,52,67,89,96,99,134,146,153,174,175,215,222,223,233,245,254,260,326,332,341,350,351,357,359,360,366,377,382,421,425,430,439,450,473,477,487,508,524,530,540,542,550,561,577,587,594,601,612,626,631,632,649,663,677,701,739,742,743,758,786,810,838,850,861,868,878,936,962,964,968,984,1006 +0420_00007 3,4,15,26,31,59,66,80,89,99,100,101,134,137,146,148,151,158,160,162,171,174,175,182,222,229,241,245,256,260,294,328,332,347,396,419,461,469,473,486,491,495,508,515,524,540,549,557,586,621,652,665,678,686,702,705,709,711,758,768,778,782,791,802,820,823,829,848,849,867,888,894,909,915,919,921,948,951,960,968,983,984,986,1006,1016 +0420_00008 1,15,18,81,89,90,96,99,123,134,166,171,230,245,249,250,260,272,282,288,297,363,380,381,385,391,393,405,413,435,437,442,456,467,483,487,503,504,506,530,540,542,550,567,568,585,595,626,652,654,662,670,714,717,722,731,741,786,797,828,908,922,948,963,968,983,984,1022 +0420_00009 4,15,20,26,32,58,84,85,87,89,96,104,111,130,134,144,153,168,170,203,208,209,216,232,234,241,260,261,265,266,294,297,300,311,323,326,347,382,386,394,396,410,435,446,450,459,461,471,483,487,492,493,503,508,510,544,549,550,562,615,623,624,626,633,657,662,687,704,717,719,723,727,734,741,744,747,752,763,775,776,783,784,785,786,797,819,831,833,850,864,865,886,908,910,936,946,948,964,968,974,992,998,1004,1013,1022 +0420_00010 15,24,26,39,41,52,89,96,111,134,151,152,153,175,222,223,244,264,270,290,305,311,326,339,342,409,425,473,487,492,503,512,517,524,531,550,561,566,587,626,638,662,666,677,678,686,713,735,739,745,776,786,797,811,825,836,837,838,850,873,948,954,964,968,994 +0420_00011 5,15,20,22,26,52,82,89,96,99,105,111,131,134,137,151,168,175,207,222,223,234,251,276,300,308,318,327,347,359,380,387,390,409,410,425,473,484,487,503,506,508,524,529,549,550,626,634,662,677,711,714,727,739,746,763,783,786,797,802,823,833,840,855,891,894,908,948,961,963,964,968,979,1002 +0420_00012 1,15,18,61,81,89,90,96,134,171,230,245,249,250,260,272,282,292,297,339,363,380,385,393,405,435,437,442,456,467,483,487,503,504,506,528,530,540,542,550,568,585,626,645,652,654,662,670,675,706,714,722,731,741,786,796,797,828,831,882,908,922,948,968,983,984,1022 +0420_00013 3,15,22,26,41,52,89,96,99,110,134,146,159,174,175,222,223,245,254,260,274,302,332,357,359,360,377,382,421,425,430,433,439,450,461,469,473,477,487,491,508,524,530,540,544,550,557,561,581,587,601,612,638,650,662,677,679,701,727,733,739,758,782,810,838,849,861,893,932,964,968,983,984,990,1006 +0420_00014 15,20,22,23,26,52,89,96,99,105,131,134,137,141,151,168,175,222,223,225,300,306,315,327,347,351,359,381,387,397,425,439,443,447,450,473,480,484,487,503,506,508,524,529,549,550,577,662,677,683,727,734,739,743,783,786,797,823,833,840,850,874,879,894,908,923,948,961,964,968,974,995 +0420_00015 8,15,26,31,35,49,89,96,112,129,131,134,137,172,185,222,233,236,278,297,306,315,327,349,351,387,425,437,473,485,487,503,506,508,550,600,631,642,648,662,667,681,693,696,713,739,743,786,797,823,850,894,908,923,929,934,938,947,948,961,964,968,974,983,995,1022 +0420_00016 15,29,40,89,117,134,135,153,171,175,188,247,301,315,321,326,328,351,354,363,378,389,398,439,442,506,515,522,524,550,557,577,610,626,630,631,640,646,652,654,662,666,676,677,686,692,703,722,723,741,797,836,849,850,922,923,947,948,955,964,968,974,982,985,995,998,1008,1022 +0420_00017 15,26,39,58,89,96,134,142,151,173,175,195,222,223,245,294,296,320,332,355,357,386,387,410,425,456,473,487,503,506,508,524,533,550,561,565,568,574,630,638,662,668,677,692,723,739,743,761,773,786,795,797,815,819,836,838,850,851,872,914,944,946,961,964,968 +0420_00018 15,20,26,40,55,57,59,62,89,90,96,111,134,153,158,175,222,225,254,260,287,299,326,331,344,382,398,407,409,425,426,461,465,466,473,487,508,514,524,550,566,580,595,607,612,626,649,653,656,671,695,711,727,739,762,782,792,817,819,851,855,857,861,862,873,884,898,913,948,953,968,983,984,997,1006 +0420_00019 1,15,20,44,50,89,90,95,96,111,134,153,225,230,244,245,272,282,300,303,307,310,330,345,347,349,352,380,381,401,422,429,442,447,482,487,503,506,508,524,540,542,549,550,566,580,596,621,628,654,662,666,686,702,714,724,727,734,737,741,770,786,797,852,855,882,906,948,968,984,994 +0420_00020 7,9,15,16,26,29,52,58,64,82,88,89,96,99,104,110,111,117,134,152,153,174,175,184,205,216,222,223,235,244,245,270,272,273,282,291,316,365,380,409,413,442,465,471,473,479,483,487,490,503,504,506,508,515,524,529,542,550,626,629,636,640,652,654,657,662,666,676,677,686,696,714,722,741,744,761,774,778,786,797,817,823,845,850,859,866,893,908,931,939,946,947,948,964,968,973,983,987,1022 +0420_00021 15,20,26,36,52,66,89,96,102,104,134,163,194,204,254,288,300,315,325,332,347,351,360,373,390,408,410,418,423,425,439,473,487,501,508,522,524,544,549,550,561,601,612,622,626,686,698,702,709,727,739,743,768,785,796,810,819,826,830,850,865,898,923,927,936,939,948,949,950,962,964,968,995,1006,1008,1014 +0420_00022 15,26,53,66,89,96,99,133,134,161,174,175,184,205,222,223,241,245,254,277,278,315,326,335,339,351,421,425,430,439,461,473,486,487,508,512,524,540,550,555,565,566,586,611,612,623,626,659,677,686,701,702,711,716,717,720,739,754,761,762,771,782,794,823,836,850,870,923,932,936,948,956,968,983,995,1006,1012,1022 +0420_00023 15,26,28,33,51,52,61,88,89,96,99,100,117,134,148,153,174,175,215,222,223,245,254,266,274,294,308,318,326,332,336,351,360,366,389,404,425,430,431,439,447,450,473,487,504,508,519,524,539,550,561,577,587,596,612,626,632,677,697,701,707,739,743,786,810,818,826,838,850,867,891,964,968,974,1006 +0420_00024 15,17,20,24,26,52,80,89,96,99,103,134,148,153,175,188,222,223,254,311,315,326,351,360,421,425,434,439,450,454,473,487,494,499,508,521,524,550,561,570,577,587,591,612,626,632,656,677,680,713,727,739,762,772,786,792,810,813,838,850,857,923,942,945,948,964,968,984,995,997,1006 +0420_00025 15,24,26,67,89,93,96,104,134,153,244,254,271,278,329,360,396,412,425,473,482,487,519,521,522,524,527,529,550,561,566,612,626,654,662,668,678,686,717,739,758,762,795,810,819,830,832,859,898,910,919,923,934,936,948,952,964,968,975,984,994,1006,1011,1020 +0420_00026 15,20,26,29,33,40,55,62,78,83,89,96,99,111,123,127,134,146,153,175,222,223,242,270,288,300,315,342,347,348,351,405,410,423,425,439,473,487,508,514,524,543,544,549,550,577,596,615,617,638,645,652,677,699,700,727,739,743,762,767,785,786,850,851,863,868,872,886,890,904,915,923,924,948,959,964,968,983,986,989,995 +0420_00027 9,15,16,52,55,58,64,77,80,88,89,96,104,108,111,117,134,152,153,175,184,226,237,243,245,247,253,261,270,272,282,291,308,316,317,353,365,371,380,438,439,442,479,483,487,503,504,506,507,514,524,533,542,543,550,626,629,631,640,648,652,654,658,662,666,677,684,686,693,714,722,741,772,778,781,782,786,797,812,817,826,828,850,856,878,893,929,931,933,939,941,946,948,963,964,968,973,981,983,987,1022 +0420_00028 15,20,59,69,73,77,89,96,104,129,134,142,153,175,185,189,245,269,272,278,282,300,310,315,347,351,352,356,372,380,384,401,439,442,458,459,465,479,481,482,487,493,503,504,506,508,515,524,540,542,549,550,576,581,601,634,652,654,656,662,664,666,686,714,722,723,727,729,741,744,751,762,786,797,812,813,816,832,833,850,868,882,889,893,896,913,923,928,929,940,948,964,968,971,974,976,995,1006,1022 +0420_00029 3,4,15,22,26,41,52,89,99,100,110,134,146,151,159,171,174,175,182,222,223,245,260,274,302,305,332,347,357,377,419,421,433,439,450,461,469,473,491,508,515,524,530,540,544,549,557,561,579,581,587,601,638,650,662,672,677,679,705,727,733,756,757,758,768,778,782,806,838,849,861,893,919,932,948,964,968,983,984,990,1006 +0420_00030 15,20,26,52,67,89,96,134,139,148,153,163,248,264,272,275,282,288,300,315,320,326,332,347,351,369,380,410,439,442,465,487,499,503,504,506,508,524,540,542,549,550,562,580,607,626,652,654,662,664,686,688,692,698,703,714,722,727,729,734,741,743,763,785,786,797,828,850,853,923,948,964,968,976,987,990,995 +0420_00031 15,17,20,21,26,51,59,89,92,94,96,117,131,134,139,142,153,175,179,182,192,234,254,272,284,300,312,347,388,391,410,417,430,442,487,508,524,549,550,556,559,574,581,606,612,626,629,630,631,654,662,668,669,677,692,707,713,714,723,727,734,740,785,822,823,835,855,858,910,926,948,952,968,994,1006,1022 +0420_00032 3,4,15,22,26,53,59,66,89,99,100,101,110,134,137,146,151,171,174,175,182,203,213,222,241,245,260,274,332,347,377,416,419,439,440,461,469,473,491,498,508,515,524,540,544,549,557,565,586,619,638,644,650,652,662,665,678,686,702,705,758,768,778,782,808,823,837,848,849,893,915,919,948,964,966,968,983,984,990,1006 +0420_00033 12,15,18,20,40,89,111,132,134,142,151,165,200,203,218,228,236,242,260,264,278,300,339,347,355,372,386,388,393,405,428,452,454,461,471,485,508,524,529,540,543,549,554,566,615,631,634,636,638,657,660,684,688,691,726,727,744,749,776,783,820,840,849,864,869,910,913,914,948,950,968,978,1017 +0420_00034 9,15,16,52,55,58,64,77,88,89,96,104,111,117,134,152,153,175,184,226,237,243,245,247,253,270,272,282,291,316,317,353,365,371,380,385,438,439,442,479,483,487,503,504,506,507,514,524,533,542,543,550,626,629,631,640,648,651,652,654,658,662,666,672,677,684,686,714,722,741,772,778,781,782,786,797,812,817,824,828,850,856,878,893,928,929,931,939,941,945,946,948,964,968,973,983,987,1011,1022 +0420_00035 3,15,22,26,57,79,89,96,110,134,146,174,175,222,245,254,260,274,287,291,332,377,396,398,425,426,430,431,439,455,461,465,469,473,487,491,508,514,516,520,524,540,544,550,557,580,595,612,626,638,646,647,650,662,690,695,696,701,718,739,740,758,782,819,849,855,867,874,884,893,917,953,964,968,983,984,990,997,1006 +0420_00036 15,16,29,46,55,58,66,82,88,89,96,103,104,111,117,125,134,152,153,175,184,204,241,245,247,270,272,278,282,316,317,372,380,399,438,442,463,483,487,503,504,506,515,524,533,542,543,550,575,600,626,631,636,640,652,654,658,662,666,674,676,677,686,714,717,722,741,756,774,778,782,786,797,850,856,878,893,931,939,946,947,948,964,968,975,1011,1012,1022 +0420_00037 7,15,22,26,53,59,66,74,87,89,99,100,110,130,134,174,175,182,203,213,222,241,245,253,260,274,283,310,332,353,376,377,416,428,439,440,461,469,470,473,487,491,508,524,540,544,550,557,558,565,586,619,620,626,638,640,644,650,652,662,665,686,702,739,757,758,781,782,808,823,837,849,893,948,964,966,968,971,983,984,990 +0420_00038 4,5,15,20,26,31,36,49,78,85,89,92,96,100,117,134,139,150,153,168,190,209,218,222,225,245,253,297,300,315,326,327,347,351,358,410,425,437,445,473,479,487,503,508,513,530,549,550,611,626,636,662,683,719,726,727,739,743,767,785,786,797,809,835,850,879,890,906,923,929,936,948,964,968,983,988,995,1017 +0420_00039 1,2,4,15,19,20,26,49,55,89,95,96,125,128,132,134,136,138,153,154,163,171,173,194,203,209,222,236,237,242,254,268,282,297,300,310,315,341,344,347,349,351,353,373,376,379,389,392,399,401,407,419,425,433,437,449,459,460,461,465,473,474,478,481,487,491,508,515,524,525,539,545,549,550,559,565,572,583,589,603,609,610,612,626,648,650,662,669,688,693,713,720,727,739,744,757,758,770,773,782,783,789,792,797,846,847,850,855,875,888,907,923,924,927,931,943,948,960,963,964,968,969,973,983,994,995,1006,1007,1024 +0420_00040 15,20,32,44,88,89,90,96,126,134,163,167,224,225,230,245,272,282,300,307,310,315,345,347,351,352,356,380,401,429,442,447,463,479,487,503,505,506,508,525,540,542,549,550,566,588,606,621,639,654,662,714,716,727,741,748,786,797,850,852,882,923,948,968,984,995,1018 +0420_00041 2,15,20,26,36,89,96,111,115,130,134,149,158,174,175,177,203,209,212,218,222,223,260,262,280,300,310,315,337,342,347,355,401,425,435,459,473,479,487,491,496,503,506,508,524,536,542,549,550,568,574,596,630,646,662,668,677,692,723,727,739,741,786,795,797,819,846,881,914,915,948,968,991,994,1001 +0420_00042 15,20,26,29,33,37,62,78,89,96,99,111,134,146,153,175,222,223,227,242,300,313,315,335,347,348,351,405,410,423,425,434,439,473,487,508,514,524,543,544,549,550,556,577,596,615,617,638,645,652,677,690,699,700,727,738,739,762,767,785,786,850,861,863,872,886,887,904,906,915,923,948,959,964,968,983,989,995,1010 +0420_00043 6,15,89,107,111,117,119,120,134,140,153,158,173,175,184,197,218,244,247,256,260,271,292,301,321,328,333,347,412,417,421,442,505,506,514,515,522,524,532,540,549,550,591,594,626,631,652,654,660,662,677,690,698,700,722,723,741,752,778,792,797,809,812,948,964,968,994,1001,1022 +0420_00044 15,16,29,46,55,58,66,88,89,96,103,104,111,117,125,134,152,153,175,184,241,247,270,272,282,316,317,321,328,354,372,380,398,399,438,442,483,487,503,504,506,515,522,524,533,542,543,550,600,626,631,640,652,654,658,662,666,674,676,677,686,705,714,717,722,741,778,782,786,797,849,850,856,878,893,920,931,939,946,947,948,964,968,974,975,998,1011,1012,1022 +0420_00045 15,20,89,96,111,117,123,134,175,212,244,247,272,276,282,300,310,311,347,352,356,364,373,380,401,413,442,467,475,483,487,503,504,506,508,524,542,549,550,566,569,576,606,626,629,631,641,652,654,662,677,709,714,722,727,735,741,772,786,797,813,841,874,889,933,936,945,948,964,968,1020,1022,1024 +0420_00046 3,15,22,26,53,59,66,89,96,99,110,130,133,134,146,174,175,182,184,203,213,222,241,245,254,260,274,305,332,377,416,425,430,439,440,461,469,473,487,491,498,508,524,540,544,550,557,559,565,586,612,619,638,644,650,652,662,665,686,701,702,739,758,782,808,823,837,849,893,948,964,966,968,983,984,990,1006 +0420_00047 15,16,48,53,55,58,89,96,104,111,117,134,153,175,184,229,247,272,282,316,326,380,438,442,483,487,503,504,506,524,533,542,543,550,575,600,626,631,652,654,658,662,666,677,705,714,722,741,782,786,797,829,850,856,859,878,922,931,939,946,964,968,999,1008,1022 +0420_00048 15,16,30,58,78,89,97,104,111,134,145,175,178,199,207,253,258,260,270,295,298,316,326,342,347,360,383,390,392,405,421,464,475,484,494,505,515,521,524,543,549,550,552,580,585,616,626,655,662,677,758,772,778,812,828,832,837,850,881,895,906,923,936,939,946,948,964,968,972,978,983,996 +0420_00049 11,15,20,24,26,83,89,96,99,100,105,131,132,134,137,151,153,168,175,178,188,222,223,224,244,300,327,347,387,425,434,439,450,473,482,484,487,503,506,507,508,510,524,549,550,604,622,634,662,677,709,716,724,727,739,772,786,797,823,840,851,863,894,908,948,956,961,968,993,994 +0420_00050 15,20,45,54,55,89,96,111,117,123,134,175,212,247,272,276,282,300,310,311,347,352,356,380,401,407,413,438,442,475,483,487,503,504,506,508,524,542,543,549,550,554,566,569,575,600,606,626,631,641,652,654,658,662,677,683,705,714,722,727,741,772,786,797,878,902,915,921,936,945,948,964,968,1020,1022,1024 +0420_00051 15,26,77,84,87,89,96,111,112,134,153,163,167,175,177,179,188,194,202,210,217,220,222,223,244,249,254,270,272,282,315,318,332,339,351,360,376,380,382,389,398,425,439,442,461,468,473,487,492,503,504,506,524,534,540,542,550,561,566,568,574,581,596,611,612,627,628,634,652,654,661,662,664,677,686,689,692,700,703,706,711,714,716,722,729,734,739,741,751,758,762,782,786,796,797,800,810,816,838,845,850,873,884,916,919,923,929,935,948,954,964,966,968,976,985,994,995,997,1000,1006 +0420_00052 4,15,19,20,26,29,47,52,89,95,96,97,134,140,153,154,163,171,173,175,178,189,194,197,209,222,223,237,245,254,271,282,283,297,300,310,315,329,341,347,351,353,356,379,389,392,399,401,407,419,420,421,425,437,439,446,450,454,460,461,465,473,474,487,491,508,515,524,525,545,549,550,559,577,578,581,583,589,596,607,610,612,622,626,654,662,669,677,688,700,713,727,730,739,741,744,757,758,772,773,781,782,783,792,797,798,846,847,850,852,855,875,907,923,927,931,936,948,960,963,964,968,969,971,983,994,995,1006 +0420_00053 15,23,32,53,55,89,96,111,117,134,153,175,184,244,247,251,270,272,282,326,380,419,438,442,483,487,492,503,504,506,524,533,534,542,543,550,575,600,626,631,652,654,658,662,666,677,705,714,722,741,784,786,797,843,856,878,922,948,954,964,968,994,1008,1022 +0420_00054 15,20,34,55,89,111,117,123,134,170,175,177,245,247,260,272,276,278,300,310,311,347,352,356,364,371,380,401,407,413,421,438,442,475,505,506,508,515,524,543,549,550,554,566,569,575,576,600,606,626,631,641,652,654,658,662,664,666,677,683,717,722,727,772,778,797,804,812,841,878,921,936,945,948,957,964,968,1020,1022,1024 +0420_00055 7,15,18,50,58,87,89,96,117,122,134,153,171,207,249,257,268,272,282,296,297,326,380,437,442,483,487,503,504,506,517,542,550,576,626,652,654,662,670,691,711,713,714,722,741,770,772,783,786,789,797,850,876,879,924,946,947,948,949,964,968,983,998,1022 +0420_00056 15,30,44,58,69,72,75,89,96,111,134,153,179,205,245,268,272,310,315,333,338,351,353,389,429,439,460,462,480,487,503,506,508,524,540,542,550,552,593,621,654,662,666,686,714,741,753,776,786,797,850,882,907,923,924,943,948,950,968,974,984,995,1002 +0420_00057 15,20,55,89,96,97,111,117,123,134,170,175,247,272,282,300,310,311,347,352,356,364,380,401,407,413,438,442,475,483,487,499,503,504,506,508,516,524,542,543,549,550,554,566,569,575,576,600,606,626,631,641,652,654,658,662,677,683,705,714,717,722,727,741,772,786,797,817,841,878,921,936,948,964,968,1022 +0420_00058 15,17,20,26,52,67,89,96,134,135,139,153,163,191,194,248,254,264,272,275,288,300,315,320,321,326,327,332,347,351,365,382,410,439,442,449,465,487,499,504,508,524,531,540,549,550,580,585,607,612,621,626,629,648,654,686,688,698,708,714,727,743,763,785,823,828,850,853,909,923,948,964,968,973,987,995,1006 +0420_00059 15,20,26,44,52,66,81,89,90,92,93,96,131,134,142,160,210,213,243,245,272,282,288,300,315,336,347,351,371,380,401,410,429,439,442,447,487,488,503,506,508,524,540,542,549,550,556,621,623,654,662,686,701,714,727,741,743,750,785,786,789,797,850,882,923,948,956,959,968,973,976,984,995,1017 +0420_00060 15,20,26,29,33,52,89,90,96,99,134,145,175,212,217,218,222,223,225,228,231,240,247,263,272,297,300,307,315,317,334,347,351,370,371,392,410,419,439,446,450,461,473,508,515,519,524,549,550,577,593,602,626,634,640,644,676,677,686,713,727,734,766,769,779,785,828,850,852,861,866,879,900,923,946,947,948,953,964,968,989,995,1006,1012 +0420_00061 15,17,21,35,44,66,89,90,96,111,120,134,225,229,230,238,239,245,272,275,282,315,351,358,380,429,438,439,442,447,454,475,487,503,506,508,524,540,542,550,599,621,623,654,662,686,714,732,741,766,784,786,797,830,850,852,882,923,948,964,968,984,995 +0420_00062 12,15,40,82,90,117,134,140,142,153,175,193,202,213,271,308,340,345,384,405,428,442,452,460,465,485,524,529,555,604,610,615,631,636,638,691,697,744,776,788,849,876,882,906,913,948,949,968,969,994,1008,1022 +0420_00063 15,20,26,31,32,41,48,52,60,84,89,96,111,117,134,148,152,153,165,166,175,207,222,223,244,247,254,265,270,272,274,282,283,290,294,300,315,336,339,347,351,360,375,380,400,409,423,425,439,442,461,473,479,483,487,492,495,503,504,506,508,519,524,525,537,542,543,549,550,561,566,571,575,577,581,587,588,600,601,612,615,626,631,647,652,654,658,662,666,675,677,705,711,713,714,722,727,739,741,743,762,782,786,797,810,836,838,850,861,863,872,878,897,916,923,940,948,954,964,968,982,984,994,995,997,1006,1012,1021,1022 +0420_00064 15,23,55,89,96,111,117,134,153,175,184,244,247,270,272,278,282,309,325,334,380,419,438,442,450,468,483,487,492,503,504,506,508,524,533,542,543,550,575,600,626,631,649,652,654,657,658,662,677,705,714,722,741,784,786,797,850,856,868,878,948,954,964,968,994,1022 +0420_00065 1,15,35,45,55,75,89,96,105,111,117,134,144,153,175,184,188,197,214,244,247,272,282,295,301,330,356,380,388,405,438,442,483,487,503,504,506,524,533,535,542,543,550,574,575,580,585,600,601,626,630,631,652,654,658,662,677,705,714,722,724,734,741,750,776,786,789,797,828,837,838,856,870,878,905,936,948,964,968,994,1022 +0420_00066 4,7,15,20,26,36,52,86,89,96,106,134,139,153,163,183,208,209,218,227,288,295,300,315,326,329,332,339,347,349,351,371,410,413,425,439,455,461,473,479,487,503,508,524,534,549,550,558,585,600,626,632,645,654,662,673,688,707,719,727,739,743,785,786,797,798,808,819,829,850,884,900,923,924,931,942,948,964,968,978,994,995 +0420_00067 1,4,15,19,20,26,39,51,55,78,82,89,96,117,132,134,153,154,160,163,175,177,183,190,203,222,223,227,236,237,254,278,283,290,300,304,310,315,328,347,351,353,373,375,381,389,392,394,395,401,407,424,425,433,439,440,442,450,461,472,473,486,487,493,506,508,515,517,524,531,532,534,549,550,551,554,559,577,583,593,599,612,634,654,657,662,666,675,677,688,697,701,707,727,730,739,744,758,772,783,789,796,797,798,810,815,816,850,856,872,879,895,923,924,928,943,948,959,960,963,964,968,973,989,994,995,1006,1007,1022,1024 +0420_00068 2,15,60,89,96,104,134,156,163,184,226,272,278,282,311,315,332,351,373,380,419,439,442,454,468,476,487,503,504,506,508,524,540,542,543,550,560,632,652,654,658,662,664,675,676,705,714,717,722,729,741,776,786,797,848,850,923,948,964,968,988,995,1000,1005,1006 +0420_00069 5,15,20,25,44,82,89,90,95,96,104,107,111,134,153,185,225,230,244,245,270,272,282,300,310,330,339,347,352,376,380,399,401,429,442,447,487,503,506,508,524,540,542,549,550,566,596,621,654,662,666,686,714,727,741,743,786,797,816,828,852,882,895,937,941,948,954,962,968,984,994,1006 +0420_00070 9,15,55,64,89,96,111,117,134,149,152,153,167,175,184,244,246,247,270,272,282,291,292,365,380,438,442,445,468,479,483,487,503,504,506,524,532,533,542,543,550,575,600,626,629,631,652,654,658,662,666,669,677,682,686,705,714,722,741,778,786,797,817,856,878,948,964,968,973,983,987,994,1013,1022 +0420_00071 9,15,16,52,55,58,64,88,89,96,104,111,117,134,152,153,175,184,247,270,272,282,291,316,317,365,380,438,442,479,483,487,503,504,506,514,524,533,542,543,550,575,600,626,629,631,652,654,658,662,666,677,686,705,714,722,741,778,782,786,797,817,850,856,878,893,931,939,946,948,964,968,973,983,987,1022 +0420_00072 15,17,18,45,49,89,96,109,114,134,153,166,171,174,224,233,244,252,254,272,297,311,315,326,335,351,417,437,442,459,481,487,524,550,577,609,612,626,629,654,658,666,714,731,780,783,796,805,815,820,823,850,919,921,923,929,947,948,964,968,983,995,1006,1015,1017,1022 +0420_00073 14,15,20,26,36,40,51,80,89,96,99,115,131,134,137,151,153,175,222,230,300,327,332,334,347,355,384,387,398,416,425,437,473,487,488,490,494,503,506,508,524,526,549,550,559,571,573,579,590,626,636,659,662,727,739,741,747,748,757,786,797,819,823,840,845,855,893,894,908,921,932,948,961,968,994 +0420_00074 15,89,107,111,115,117,134,140,158,175,197,207,218,247,260,271,276,292,321,328,333,347,390,412,417,421,442,477,505,506,515,522,524,540,549,550,583,591,594,601,626,631,646,652,654,660,662,676,677,690,698,700,722,741,746,747,749,778,792,797,802,809,812,855,948,964,968,998,1001,1022 +0420_00075 15,20,26,39,52,78,89,96,126,134,151,163,181,264,288,300,305,307,315,332,347,351,379,390,399,405,408,410,411,425,439,473,487,501,503,508,517,524,526,549,550,556,561,574,579,596,601,626,638,662,685,686,705,727,739,743,767,785,786,797,819,825,826,839,850,923,936,939,948,949,950,964,968,995,1008,1014 +0420_00076 15,20,26,44,47,66,85,89,90,93,96,111,134,142,153,160,179,213,244,245,257,265,270,272,282,300,308,336,339,347,364,371,372,380,401,410,429,442,447,471,487,488,503,506,508,524,540,542,549,550,565,613,621,623,654,662,686,688,704,714,727,741,785,786,797,814,847,882,948,954,968,973,984,994,1017 +0420_00077 15,20,26,42,48,52,55,80,89,95,96,97,113,134,154,160,163,173,175,182,188,203,212,215,222,223,227,228,237,254,260,290,293,300,310,315,347,351,353,355,363,364,377,389,391,399,401,403,421,425,436,439,443,450,454,467,471,473,487,494,495,508,517,524,535,541,549,550,565,566,577,582,589,596,612,648,662,677,727,728,739,755,761,772,780,781,783,793,794,796,811,812,815,836,842,850,856,857,864,872,889,891,916,917,923,943,948,958,960,964,968,971,976,994,995,1001,1006,1011 +0420_00078 4,15,26,78,82,96,117,134,153,160,175,177,222,237,272,282,290,304,338,347,380,395,407,440,442,450,487,493,503,506,517,524,532,534,542,550,559,565,599,641,654,662,666,697,701,707,714,741,744,746,772,786,797,798,856,872,879,895,948,968,994,1022 +0420_00079 15,18,20,23,26,42,52,89,96,134,174,175,191,200,203,222,231,237,244,245,254,297,300,310,329,332,345,347,355,360,367,369,382,387,401,425,438,467,473,487,508,517,519,524,534,541,549,550,585,594,603,612,627,663,673,674,683,686,727,739,740,762,780,793,819,851,866,948,955,968,973,1006 +0420_00080 4,5,15,20,21,25,26,28,47,52,66,88,89,96,104,111,117,131,134,151,153,168,169,175,177,184,185,189,193,223,229,244,245,248,253,264,270,272,282,300,306,310,327,331,332,339,344,347,352,354,355,380,385,386,389,401,412,433,442,474,475,477,487,493,503,504,506,508,522,524,532,537,540,542,548,549,550,566,585,587,598,601,604,605,619,626,635,652,654,662,664,666,669,676,681,686,691,705,709,714,716,722,727,729,741,762,767,778,781,786,797,802,819,828,837,895,915,936,941,948,953,954,964,967,968,974,976,984,994,1006,1022 +0420_00081 15,20,55,89,96,111,117,123,134,175,247,272,276,282,300,310,311,347,352,356,364,371,380,401,407,413,438,442,475,483,487,503,504,506,508,524,542,543,549,550,554,566,569,575,576,600,606,626,631,641,652,654,658,662,677,683,705,714,717,722,727,741,772,786,797,841,878,921,936,945,948,964,968,1020,1022,1024 +0420_00082 7,15,24,26,35,52,75,89,96,99,105,117,134,139,148,175,189,198,222,223,233,235,236,242,250,254,255,269,272,273,285,295,312,315,340,351,355,360,362,381,390,392,393,409,421,425,426,439,450,454,461,473,475,481,482,487,503,506,523,524,530,535,540,542,550,561,574,577,587,598,601,609,612,626,654,662,666,677,707,714,721,722,739,741,742,751,758,760,772,776,786,797,810,815,828,838,843,850,856,861,923,924,931,936,948,952,964,968,974,975,984,990,995,1006 +0420_00083 6,7,15,20,73,81,83,89,96,111,117,119,120,129,134,153,173,175,184,187,189,197,204,218,244,245,247,256,271,272,274,278,282,292,300,301,310,315,347,351,352,380,381,384,391,401,412,417,419,439,442,454,478,487,503,504,506,508,514,515,524,526,532,540,542,549,550,576,594,601,612,626,631,652,654,660,662,664,666,677,686,698,700,713,714,718,722,723,727,729,741,752,786,797,804,809,811,850,868,877,882,889,896,911,923,947,948,964,968,971,974,976,994,995,999,1001,1009,1022 +0420_00084 4,15,26,28,32,46,52,54,73,89,96,99,110,113,134,163,171,174,175,181,185,188,220,222,223,237,239,245,254,264,279,283,292,297,301,315,318,320,332,351,360,367,403,411,421,425,430,439,446,449,450,452,454,465,473,487,508,523,524,532,550,561,577,583,587,591,603,612,626,632,638,639,661,677,686,701,737,739,767,772,786,810,819,838,848,850,870,878,887,923,939,948,964,968,973,984,991,994,995,1002,1006,1010,1024 +0420_00085 7,15,17,20,44,81,89,90,96,102,120,134,187,204,225,230,245,272,282,300,310,315,347,351,352,380,391,401,419,426,429,439,442,447,451,454,478,487,488,503,506,508,524,540,542,549,550,580,612,621,654,662,666,686,714,727,741,786,797,804,850,852,882,896,923,948,964,968,984,995 +0420_00086 6,15,89,96,111,117,119,120,134,140,153,173,175,184,197,218,244,247,256,271,272,282,292,301,380,412,417,442,483,487,503,504,506,514,524,532,542,550,594,626,631,652,654,660,662,677,698,700,714,722,723,741,786,797,809,854,947,948,964,968,994,1001,1022 +0420_00087 2,15,21,26,46,51,52,60,61,88,89,95,96,99,100,110,134,140,148,153,163,171,174,175,181,204,215,222,223,239,245,254,264,274,279,315,318,326,332,336,351,359,360,366,383,385,389,404,421,425,430,431,439,447,450,454,469,473,475,480,487,504,508,519,523,524,530,550,561,577,587,601,603,612,626,632,639,663,677,700,701,707,739,743,767,786,796,804,810,819,826,838,850,861,864,870,878,879,883,887,891,906,923,933,948,961,964,968,974,984,994,995,1006,1019 +0420_00088 8,15,20,26,34,89,96,105,126,131,134,137,138,151,168,222,227,239,279,291,297,300,315,323,327,347,349,364,377,384,387,425,441,449,473,484,487,503,506,508,549,550,558,565,578,662,673,677,690,693,698,720,727,739,743,772,786,797,823,840,850,874,894,908,948,961,968,974,981,983,995 +0420_00089 1,15,18,35,49,75,87,89,96,105,111,117,134,153,166,171,197,214,233,244,249,272,282,297,301,315,351,353,356,380,388,390,405,437,442,483,487,503,504,506,518,529,535,542,550,574,580,585,601,626,630,645,647,652,654,662,670,689,714,722,741,750,770,783,786,789,797,816,828,838,850,870,921,923,936,947,948,949,964,968,983,985,995,1022 +0420_00090 15,26,30,41,51,52,60,61,75,88,89,95,96,99,100,110,134,148,159,163,174,175,180,186,195,209,222,223,245,254,271,274,315,317,318,332,336,351,357,358,359,360,377,389,404,421,425,430,431,433,439,443,447,450,457,461,469,473,475,477,478,480,487,500,504,506,508,519,524,530,544,550,561,581,587,601,612,628,638,650,674,677,701,707,727,739,756,758,782,810,814,819,826,838,850,852,858,861,870,879,887,891,893,923,927,931,932,948,964,968,974,984,995,1002,1006,1009,1019 +0420_00091 15,20,49,89,96,134,138,141,171,218,237,244,262,267,272,282,286,311,315,351,363,367,380,381,387,437,442,459,479,487,503,504,506,508,511,540,542,550,632,652,654,658,661,662,664,670,684,714,722,727,729,741,786,797,805,850,877,892,899,923,948,957,964,968,983,995 +0420_00092 4,10,15,20,26,35,39,52,82,89,99,111,134,147,151,156,175,182,200,205,222,223,228,236,242,245,251,260,264,273,282,290,300,324,339,345,347,409,419,461,471,473,506,508,515,524,529,549,566,578,632,634,636,653,662,672,677,696,705,727,749,776,778,797,810,823,827,840,845,849,864,869,871,877,948,950,952,964,968,975,1005 +0420_00093 4,15,20,26,29,52,56,66,80,89,90,96,102,104,134,151,163,164,182,187,193,194,204,212,263,288,300,315,332,347,351,353,373,410,412,419,437,439,468,473,501,508,515,522,524,544,549,550,551,561,601,602,622,626,640,676,686,694,702,705,721,727,743,744,762,768,778,781,785,794,800,803,805,806,819,823,826,842,850,865,879,897,898,923,937,939,947,948,949,950,951,962,964,968,995,1005,1006,1011,1022 +0420_00094 15,20,24,26,31,32,35,41,48,52,60,75,84,89,96,105,111,117,134,148,152,153,166,175,189,207,222,223,235,236,244,250,254,255,269,270,272,283,290,300,312,315,336,339,347,351,360,375,392,400,409,425,436,461,473,479,487,492,495,503,506,508,519,524,525,535,540,542,549,550,561,566,571,574,581,587,588,598,601,612,615,618,639,654,662,666,677,707,711,713,714,727,739,741,743,762,776,782,786,797,810,828,836,838,843,850,861,863,872,907,916,923,924,931,948,954,964,968,975,982,984,990,994,995,997,1006,1012 +0420_00095 15,24,26,67,89,93,96,104,134,136,153,192,244,254,271,278,314,329,360,396,412,425,473,482,487,521,522,524,550,561,566,612,626,654,668,678,686,717,739,758,762,795,810,819,830,832,840,859,898,910,919,923,929,934,936,948,952,964,968,975,984,994,1006,1011 +0420_00096 15,16,26,66,89,96,99,111,134,147,175,200,205,212,222,241,245,260,264,275,294,299,305,327,359,401,425,437,461,473,487,503,508,510,514,517,518,524,540,550,566,586,605,662,672,686,702,705,711,739,747,762,782,786,797,823,825,851,857,895,904,908,933,942,943,948,953,957,968,1012 +0420_00097 1,2,15,20,25,26,34,51,73,89,96,99,102,110,111,118,129,131,134,137,151,153,161,171,175,177,178,197,201,209,222,247,283,294,300,305,327,332,336,339,347,348,355,383,387,406,425,441,458,461,462,464,468,473,482,487,489,493,503,506,508,514,515,520,522,524,549,550,553,559,566,567,573,598,632,662,666,668,675,676,677,681,725,727,739,743,747,764,768,772,783,786,788,797,809,813,821,823,840,841,852,867,869,881,894,901,908,937,948,950,957,961,968,972,973,974,994,1007,1009,1017 +0420_00098 15,23,25,26,53,59,66,89,96,99,133,134,152,174,175,184,213,222,223,236,241,245,254,274,305,315,326,347,351,416,425,430,439,454,461,473,483,487,508,522,524,533,540,549,550,565,566,586,612,623,628,665,671,677,686,696,701,702,711,739,741,762,779,782,823,850,853,859,897,923,948,952,964,968,976,984,990,995,1006,1019 +0420_00099 15,21,26,46,51,52,60,61,88,89,95,96,99,100,110,113,134,148,163,171,174,175,181,204,222,223,239,245,254,264,274,279,315,318,332,336,351,359,360,383,385,389,404,421,425,430,431,439,447,450,454,469,473,475,480,487,504,508,519,523,524,530,550,561,577,587,601,603,612,639,677,700,701,707,739,767,772,786,796,804,810,819,826,838,850,861,864,870,878,879,883,887,891,906,923,933,948,961,964,968,974,984,994,995,1002,1006,1019 +0420_00100 15,17,20,38,66,89,96,114,117,134,152,174,175,201,234,242,252,254,272,278,312,315,363,364,398,399,417,442,449,463,487,500,508,524,530,534,550,557,598,612,626,629,649,654,666,686,714,736,812,820,823,850,900,921,925,936,948,958,964,966,968,998,1006,1022 +0420_00101 15,20,21,26,31,32,69,74,79,85,89,96,101,111,117,118,119,129,131,134,137,153,171,175,193,248,272,282,300,314,332,345,347,352,362,380,386,410,422,442,487,503,506,508,524,531,542,549,550,564,566,582,593,609,631,637,654,662,677,714,727,741,767,776,785,786,797,819,823,838,866,948,968,994,1022 +0420_00102 3,15,20,34,39,44,89,111,117,123,134,145,170,175,177,212,244,245,247,250,254,260,272,278,300,310,347,352,380,401,421,442,451,462,467,475,505,506,508,509,515,524,532,549,550,566,569,626,629,631,637,640,652,654,662,664,666,677,690,709,722,727,778,797,804,812,813,837,874,889,911,933,936,948,957,964,968,1022 +0420_00103 2,15,20,23,89,96,104,121,134,154,163,253,272,282,300,310,311,315,332,347,351,352,380,381,401,439,442,454,476,487,501,503,504,506,508,524,540,542,543,549,550,649,652,654,658,662,664,676,703,705,714,722,727,729,741,764,776,786,797,848,850,862,923,948,964,968,995,1000,1005,1006 +0420_00104 3,8,15,26,47,55,60,65,86,87,89,96,99,111,133,134,142,146,152,153,160,167,175,177,180,184,192,196,211,222,223,233,244,248,254,262,267,332,363,398,405,420,425,434,454,467,468,473,475,487,524,532,550,566,573,588,596,611,612,615,623,634,638,641,645,661,676,677,687,688,716,722,724,730,739,746,752,769,775,798,799,806,809,819,823,835,837,839,850,861,872,873,897,931,932,948,964,968,973,994,996,998,1006 +0420_00105 15,26,63,89,96,123,128,133,134,153,189,223,224,244,245,260,261,306,311,347,356,381,406,409,421,437,447,450,461,465,473,490,505,508,515,524,536,548,549,550,565,566,569,571,611,662,691,711,762,775,778,782,789,812,819,823,849,853,881,907,909,920,932,948,949,964,968,975,994,1006,1015 +0420_00106 4,5,15,20,25,26,35,39,59,74,84,89,96,104,111,117,118,119,131,134,137,147,153,175,185,188,193,223,230,241,244,270,272,278,282,292,300,306,310,326,328,333,335,339,347,352,369,380,381,401,410,420,429,442,471,473,487,503,506,508,515,524,538,540,542,549,550,551,559,566,577,578,594,612,620,622,626,631,637,654,661,662,666,667,677,686,691,700,701,705,712,714,719,723,727,740,741,767,778,784,785,786,797,805,819,820,828,854,855,864,872,875,877,895,948,954,964,968,994,996,997,1006,1022 +0420_00107 4,11,15,20,26,74,89,111,117,131,134,137,151,152,153,175,184,193,244,255,271,278,300,303,328,330,334,347,352,373,402,410,425,442,486,506,508,510,514,515,524,532,549,564,579,594,597,611,631,654,662,667,672,675,677,700,705,727,778,785,797,819,828,829,837,866,877,881,894,945,948,964,968,994,1022 +0420_00108 15,17,20,44,47,59,89,92,96,104,134,163,185,221,241,244,245,254,272,298,300,310,315,347,351,352,393,401,439,442,454,487,505,508,524,531,540,549,550,564,566,585,594,606,612,629,633,654,666,686,694,704,708,714,716,727,728,747,751,761,776,850,882,898,923,948,968,969,995,1006 +0420_00109 4,15,26,41,52,75,89,96,99,110,134,159,163,171,174,175,180,185,209,222,223,239,245,254,271,274,275,283,297,315,318,332,351,357,358,359,360,377,382,403,421,425,430,433,439,443,449,450,452,454,457,461,462,465,473,477,478,487,493,500,506,508,522,523,524,530,532,544,550,551,561,563,581,587,589,601,606,612,628,638,650,659,674,677,682,701,727,739,756,758,782,810,814,819,838,848,850,852,858,861,870,887,893,923,927,931,932,939,948,964,968,984,995,1002,1006,1009,1019 +0420_00110 15,20,26,39,52,54,62,81,82,87,89,96,99,111,134,153,167,175,184,205,222,223,244,245,251,273,300,327,345,347,349,367,373,387,409,425,436,448,473,487,492,503,506,508,524,529,532,549,550,577,637,643,662,667,677,727,739,740,770,786,797,806,814,823,845,850,857,879,908,948,961,964,968,974,975,992,994,1008 +0420_00111 11,12,15,16,20,26,52,56,59,75,89,96,125,134,141,151,175,198,212,222,223,254,267,270,279,292,300,304,315,328,340,341,347,351,359,396,425,439,447,450,473,480,487,508,524,529,549,550,570,577,612,626,638,677,727,739,772,840,850,851,855,864,869,877,915,923,929,948,964,968,974,995,996,1006,1024 +0420_00112 4,15,17,53,55,89,111,117,134,144,149,151,153,167,175,184,244,247,278,283,326,328,347,364,402,438,442,445,466,468,486,506,515,524,532,533,543,549,600,626,631,652,654,658,662,666,672,677,705,722,775,778,796,797,828,829,856,877,878,920,922,948,964,968,994,1008,1022 +0420_00113 15,32,55,89,96,111,117,134,149,153,167,173,175,184,199,205,209,233,244,247,270,272,282,292,313,322,329,355,380,398,400,438,442,445,468,483,487,503,504,506,524,532,533,542,543,550,575,600,614,626,631,652,654,658,662,677,682,687,705,714,722,741,786,797,800,828,856,878,948,964,968,978,991,994,1013,1022 +0420_00114 8,15,29,35,75,89,96,117,134,153,165,175,214,247,272,282,286,301,315,351,354,356,380,388,390,405,423,439,442,483,487,503,504,506,514,515,518,519,522,524,542,543,548,550,566,572,575,577,580,585,600,601,626,630,631,640,652,654,658,662,676,677,684,705,714,722,741,750,782,786,789,797,816,828,838,841,849,850,870,878,909,921,923,936,947,948,964,968,974,985,995,1002,1022 +0420_00115 15,16,55,58,76,89,96,104,111,134,145,153,164,175,176,178,199,253,256,272,310,311,316,326,383,397,408,475,476,487,503,506,524,542,543,550,613,626,652,654,662,666,677,689,714,722,724,741,765,772,786,797,850,878,886,895,927,939,946,964,968,987 +0420_00116 15,16,20,55,58,81,87,89,96,104,105,111,117,134,175,192,223,247,251,263,272,282,300,316,347,349,367,380,436,438,442,483,487,503,504,506,508,524,542,543,549,550,575,577,600,626,631,643,652,654,658,662,677,705,714,722,727,740,741,779,782,786,794,797,814,824,850,878,929,939,946,948,964,968,992,1022 +0420_00117 14,15,20,21,26,68,84,89,99,102,104,110,131,134,137,151,153,175,179,181,192,194,222,223,235,247,255,283,300,316,317,318,324,332,347,348,353,355,370,376,379,422,433,459,462,471,473,482,484,487,490,506,508,509,515,517,524,549,550,559,573,574,581,598,606,626,630,640,658,660,662,666,668,677,678,688,692,705,723,724,727,729,739,740,753,762,771,781,788,795,797,813,823,828,840,853,860,873,901,908,914,920,925,948,949,952,968,973,984,994,1001 +0420_00118 15,24,34,35,75,87,89,96,105,117,134,153,189,235,236,250,255,269,272,310,315,326,351,392,421,430,461,487,503,506,535,540,542,550,574,598,626,654,662,666,707,714,741,776,786,797,828,833,843,850,910,922,923,924,931,948,955,968,975,982,990,995,1000,1008 +0420_00119 4,15,20,26,36,52,78,85,86,89,96,134,137,139,147,153,161,163,208,209,218,225,254,288,300,315,326,329,332,339,347,349,351,371,378,410,425,439,455,461,473,479,487,503,508,524,534,540,549,550,600,626,645,654,662,673,683,688,707,719,727,730,739,743,767,785,786,797,798,808,815,819,829,850,890,923,948,964,968,978,994,995 +0420_00120 3,15,22,26,41,52,89,99,110,134,146,153,159,171,174,175,189,222,223,245,260,274,302,305,332,347,357,377,409,421,433,439,450,461,465,469,472,473,477,491,505,508,515,524,530,540,544,549,550,551,557,561,581,587,601,638,650,662,677,679,727,733,758,778,782,810,812,838,849,861,886,893,932,948,963,964,968,983,984,990,1006 +0420_00121 6,15,20,26,74,83,89,106,107,111,115,117,131,134,137,153,172,175,184,193,194,203,215,244,260,300,328,333,341,347,354,385,410,421,442,505,506,507,508,514,515,522,524,532,549,550,583,591,594,619,631,654,662,677,679,690,700,727,733,741,746,761,767,777,778,785,792,797,798,812,819,845,872,934,948,964,968,984,994,1022 +0420_00122 9,15,20,55,60,81,87,89,96,111,117,134,153,175,196,212,223,244,247,251,270,272,282,300,347,349,367,380,390,419,436,438,442,483,487,492,503,504,506,508,524,542,543,549,550,575,577,600,626,631,643,652,654,658,662,677,705,714,722,727,740,741,781,786,797,814,824,850,878,948,954,964,968,969,992,994,1022 +0420_00123 11,15,20,26,31,74,85,89,96,111,115,117,119,131,134,137,146,153,175,184,193,202,215,244,272,282,300,312,347,352,380,410,442,487,495,503,506,508,514,524,532,542,546,549,550,564,594,609,619,631,654,662,669,677,700,714,727,736,741,785,786,797,819,837,866,881,934,937,945,948,964,968,984,994,1022 +0420_00124 4,14,15,20,26,32,38,40,52,72,82,89,94,100,107,134,136,140,141,155,173,175,182,183,196,216,222,223,225,241,258,287,295,300,308,310,315,329,336,339,347,351,362,387,389,394,398,401,416,433,439,454,473,474,477,508,515,520,521,524,533,545,549,561,564,568,577,590,595,596,612,631,644,651,654,667,677,686,697,705,712,713,727,741,749,760,772,778,789,798,801,806,831,838,842,850,853,866,878,885,898,923,948,953,964,966,968,982,984,986,995,1006 +0420_00125 14,15,16,20,32,58,85,89,93,96,104,131,134,151,153,158,200,212,216,233,260,267,270,272,282,288,300,310,311,326,329,339,347,351,354,364,380,392,396,398,400,404,442,459,461,471,483,487,491,493,503,504,506,508,525,532,542,549,550,557,562,590,602,614,626,652,654,662,669,676,689,713,714,717,719,722,727,741,743,786,789,797,817,840,850,864,869,927,936,940,946,948,950,968,974,1002,1022 +0420_00126 4,10,15,20,30,89,91,111,117,134,151,175,197,200,212,228,236,242,244,247,260,278,282,300,328,339,347,355,364,402,442,461,471,486,506,508,515,524,549,566,578,621,626,629,631,634,636,652,654,662,672,677,705,709,722,727,739,749,776,778,796,797,810,828,829,837,840,849,864,869,871,877,933,948,950,964,968,1022 +0420_00127 15,20,23,26,39,40,52,89,96,134,138,143,151,174,191,203,205,222,237,244,252,254,257,271,297,300,310,345,347,371,384,386,394,401,404,425,436,449,467,473,487,503,508,517,520,524,541,549,550,565,572,576,599,610,612,623,627,642,683,720,726,727,739,762,784,791,819,820,908,931,948,953,968,983,988,1006 +0420_00128 15,18,20,23,26,52,81,89,96,107,132,134,174,175,191,196,199,203,222,223,231,237,244,254,283,297,300,310,345,347,355,363,367,379,401,425,467,473,487,508,517,524,534,541,549,550,585,594,596,603,612,627,631,673,674,677,683,686,727,739,757,762,794,795,819,866,948,968,1006,1012 +0420_00129 1,4,15,20,26,36,58,59,68,78,89,96,122,129,131,134,140,153,163,164,168,174,209,212,214,218,238,300,315,321,332,347,348,350,351,369,393,398,410,425,439,461,473,479,487,498,503,508,524,544,548,549,550,592,648,662,680,699,717,719,725,727,739,762,767,785,786,797,801,808,819,829,833,850,886,904,923,948,959,964,968,989,995,1011,1013,1021 +0420_00130 8,14,15,17,19,20,26,52,53,55,61,62,89,96,97,118,132,134,147,154,162,163,166,173,175,202,203,209,212,222,223,225,227,233,235,251,254,271,272,284,293,300,305,310,315,321,323,327,337,347,351,353,365,370,389,399,401,421,425,439,442,445,450,454,461,469,473,480,487,492,499,508,524,528,531,540,542,549,550,566,572,577,585,589,596,612,613,621,628,629,648,654,677,686,708,711,714,723,727,739,743,767,772,783,819,823,838,845,850,910,923,924,939,943,948,960,963,964,968,973,987,991,995,1006,1023 +0420_00131 5,15,17,20,29,89,96,117,134,173,174,175,181,207,212,252,254,272,300,310,315,340,347,351,353,388,401,417,423,439,442,447,454,463,479,487,508,519,524,543,549,550,577,589,609,612,629,631,654,676,677,713,714,727,771,783,820,822,823,838,850,921,923,948,964,968,995,1006,1013,1022 +0420_00132 15,26,32,37,73,89,96,101,105,106,134,153,168,174,175,184,211,218,222,233,237,254,272,303,326,341,364,408,427,433,442,467,487,489,524,550,559,579,612,626,654,662,666,689,698,714,733,746,757,786,820,825,837,846,866,921,948,951,968,986,994,997,1006,1014,1022 +0420_00133 4,7,11,15,20,26,74,81,83,89,96,111,115,117,131,134,137,146,151,152,153,175,184,187,189,193,202,204,206,215,234,244,272,278,282,300,310,312,315,328,339,347,351,352,380,381,391,401,402,410,419,439,442,454,478,487,495,503,504,506,508,510,514,515,524,526,532,540,542,546,549,550,564,594,612,616,619,631,652,654,662,664,666,669,675,677,681,686,700,705,712,713,714,718,722,727,729,736,741,761,778,785,786,797,804,819,837,850,866,871,881,882,896,899,908,923,934,936,937,945,948,964,968,974,976,984,994,995,999,1022 +0420_00134 10,15,20,55,63,89,96,111,117,132,134,143,151,175,200,228,236,242,247,260,272,282,300,339,347,380,390,438,442,461,465,471,475,483,487,503,504,506,508,524,542,543,549,550,566,575,600,626,631,634,636,652,654,658,660,662,677,705,714,722,727,741,749,776,786,797,840,849,864,869,871,878,883,948,950,964,968,976,1022 +0420_00135 4,5,15,20,26,36,43,52,66,73,80,89,90,96,102,104,120,134,141,148,160,163,164,182,187,194,198,204,254,288,300,304,315,332,347,351,353,360,368,373,401,410,417,425,437,439,468,473,487,501,508,515,522,524,544,549,550,551,561,601,612,622,686,702,705,717,727,737,739,743,744,762,768,778,785,787,794,803,810,819,823,825,826,830,850,861,865,879,898,923,931,939,948,949,950,962,964,968,995,1006,1022 +0420_00136 4,15,18,20,23,26,38,44,52,62,81,89,94,98,111,114,134,148,149,152,153,162,175,202,209,212,218,222,223,237,239,244,252,263,270,281,283,297,300,310,318,336,340,347,355,360,361,363,379,383,390,401,403,407,427,442,473,479,493,495,507,508,512,515,517,520,521,522,524,532,549,550,558,585,596,623,626,631,633,646,657,658,662,673,677,683,686,725,727,755,776,784,788,794,797,818,819,839,861,866,874,910,917,939,948,955,968,974,975,1001,1006 +0420_00137 15,26,52,55,61,96,125,134,152,153,175,196,201,202,210,222,237,245,272,275,277,280,380,395,421,422,424,487,503,506,508,513,517,524,529,542,550,559,576,626,638,654,662,710,714,741,766,780,786,797,804,829,855,859,899,911,916,948,968,994,1004,1016,1022 +0420_00138 10,15,20,30,89,91,96,111,117,134,151,175,197,200,212,228,236,242,244,247,260,272,282,300,339,347,355,373,380,442,461,471,483,487,503,504,506,508,524,542,549,550,566,578,621,626,629,631,634,636,652,654,662,677,709,714,722,727,739,741,749,776,786,797,810,840,849,864,869,871,889,933,948,950,964,968,1022 +0420_00139 8,12,15,20,40,58,60,63,69,74,89,96,111,117,134,142,151,153,155,175,195,197,198,200,207,215,218,222,228,236,239,242,260,262,265,268,272,277,282,300,306,310,315,317,325,326,335,339,340,347,351,372,388,392,398,405,414,423,439,442,445,449,452,461,471,480,485,487,508,517,519,524,529,540,543,549,550,554,559,566,577,579,601,615,631,634,636,637,638,654,674,677,681,691,694,696,697,700,714,727,742,743,744,749,776,810,816,838,840,844,847,849,850,852,853,863,864,869,870,913,923,940,948,950,964,967,968,978,989,995,999,1017,1021,1022 +0420_00140 15,20,26,89,96,99,102,110,131,134,137,151,153,175,181,192,201,214,222,223,247,300,327,347,348,355,387,425,459,473,482,487,503,506,508,517,524,549,550,559,574,581,598,606,630,658,660,662,668,677,678,688,692,723,727,739,740,762,786,795,797,813,823,840,860,894,901,908,914,948,949,961,968,973,994 +0420_00141 4,10,12,15,17,58,61,90,96,108,117,120,134,154,157,175,180,234,245,252,255,272,282,314,380,381,385,393,405,429,430,442,476,483,487,493,503,506,508,513,524,531,533,542,549,550,556,560,566,603,611,654,662,714,734,741,786,797,850,865,882,910,931,946,961,968,973,984,987,1010,1022 +0420_00142 15,20,60,89,96,117,134,165,175,207,211,247,265,272,278,282,289,300,315,347,351,380,420,423,439,442,483,487,503,504,506,508,519,524,542,543,549,550,575,576,577,591,600,615,625,626,631,652,654,658,662,675,677,684,705,714,722,727,741,786,797,818,850,863,865,878,923,927,940,948,964,968,976,995,1021,1022 +0420_00143 15,21,58,89,96,117,122,134,153,175,178,207,247,272,282,326,380,384,386,406,442,447,483,487,503,504,506,517,524,542,543,550,575,576,600,626,631,638,652,654,658,662,676,677,705,713,714,722,741,772,786,789,797,850,878,879,916,946,947,964,968,995,1022,1023 +0420_00144 4,15,20,21,26,28,31,32,41,54,61,62,63,80,89,96,100,111,117,119,131,134,137,142,153,160,168,175,184,190,193,200,203,222,223,262,268,272,282,284,294,300,304,330,341,347,355,358,379,380,384,402,410,424,433,442,458,473,487,503,506,508,515,516,519,524,538,542,549,550,559,561,574,594,603,626,630,633,654,655,662,668,677,686,692,701,705,714,722,723,727,737,741,762,774,778,785,786,795,797,806,815,819,833,838,839,844,848,855,860,872,886,898,914,920,927,931,939,948,949,961,964,968,981,982,994,995,996,997,1006,1011,1022 +0420_00145 6,15,34,89,111,117,119,120,134,153,170,173,175,177,184,197,218,244,245,247,256,260,271,278,292,301,347,380,412,417,421,442,505,506,514,515,524,532,549,550,594,626,631,652,654,660,662,664,666,677,698,700,722,723,752,778,797,804,809,812,911,947,948,957,964,968,994,1001,1022 +0420_00146 15,17,18,20,21,26,52,60,73,89,96,101,105,111,117,129,134,151,153,174,175,192,203,204,212,222,223,237,244,252,254,263,272,278,287,297,300,303,310,311,312,315,331,338,347,355,363,382,383,386,393,401,402,417,431,442,449,459,473,487,488,493,495,501,508,515,517,524,532,543,545,549,550,559,561,596,612,625,629,631,646,654,657,661,673,677,683,686,691,713,714,727,755,762,794,802,807,815,819,820,823,843,866,880,887,921,927,948,957,968,988,994,1001,1006,1014,1022 +0420_00147 7,9,15,23,26,36,52,89,96,108,110,134,158,175,193,209,212,222,223,237,244,328,355,363,383,425,440,473,479,487,491,503,517,521,524,532,550,593,596,624,662,677,683,711,739,755,779,786,794,796,797,890,942,968,1001 +0420_00148 4,15,18,20,23,26,44,52,54,62,81,89,98,111,114,134,148,149,152,153,175,212,222,223,237,239,244,252,263,270,271,281,283,297,300,303,310,336,340,347,354,355,360,363,379,383,390,401,403,427,467,473,493,495,508,512,515,517,520,521,524,532,541,549,550,558,582,596,603,623,631,633,673,677,681,683,686,725,727,755,759,774,794,816,819,861,866,872,874,913,917,927,939,948,968,974,1001,1006,1016 +0420_00149 15,20,26,29,41,49,52,62,65,70,75,89,96,97,127,132,134,140,153,154,162,163,173,175,218,222,223,226,244,245,254,300,310,315,328,330,344,347,348,351,353,389,399,401,421,425,439,450,454,461,465,470,473,487,508,514,524,526,528,549,550,569,575,577,589,612,613,626,640,656,677,683,700,727,730,739,772,781,783,850,923,948,960,963,964,968,977,983,991,994,995,1006 +0420_00150 15,17,20,21,26,51,59,89,92,96,101,105,117,131,134,135,136,139,153,175,190,222,237,254,267,272,284,294,300,303,316,347,386,391,402,410,417,430,442,482,487,508,517,524,549,550,556,559,591,596,609,611,612,626,629,631,654,669,676,677,713,714,727,734,785,822,823,855,858,926,948,968,971,994,1006,1022 +0420_00151 53,76,96,134,146,155,175,189,220,254,272,332,364,373,390,405,409,452,456,465,479,483,487,488,513,519,529,550,573,574,596,598,615,635,638,654,662,669,710,714,832,841,844,854,867,872,895,901,929,948,968,981,1019 +0420_00152 3,4,15,20,34,44,56,89,111,117,123,134,151,164,170,175,177,212,227,244,245,247,254,260,272,278,300,310,322,347,352,380,387,401,421,437,442,462,467,475,505,506,508,510,515,524,549,550,551,566,569,572,610,618,626,629,631,637,652,654,662,664,666,677,705,709,715,722,727,732,744,762,778,797,800,803,804,812,813,833,837,842,852,874,889,897,911,933,937,948,957,964,968,1011,1022 +0420_00153 4,13,15,44,48,96,108,117,134,175,180,213,245,251,272,274,281,282,301,332,342,380,385,393,405,412,429,437,442,449,452,475,487,503,506,508,524,529,542,550,556,566,603,611,654,662,683,686,689,714,726,733,741,772,786,797,800,882,961,968,969,973,984,987,989,1010,1022 +0420_00154 4,15,20,21,26,56,67,89,96,104,134,151,163,164,168,172,173,212,223,233,254,257,315,329,332,338,347,351,360,374,387,422,425,436,437,439,449,454,473,487,508,515,522,523,524,541,545,549,550,551,556,561,596,612,631,685,686,705,727,739,744,758,762,778,800,803,810,813,819,830,842,850,851,857,889,897,898,912,923,934,937,948,963,964,968,984,990,995,1006,1011 +0420_00155 4,11,12,15,17,20,25,26,31,56,67,86,89,96,110,111,117,131,134,137,151,153,175,176,184,189,193,221,236,244,245,270,272,278,282,300,310,328,331,339,345,347,352,354,367,380,387,388,401,410,411,419,422,423,438,442,482,487,495,503,504,506,508,510,515,524,532,539,540,542,546,549,550,564,566,596,619,628,648,652,653,654,662,664,666,667,671,675,677,686,688,696,705,714,722,727,729,737,741,761,769,778,785,786,797,819,839,844,866,870,877,908,911,936,947,948,954,964,968,974,976,984,994,1021,1022,1023 +0420_00156 20,26,35,47,58,75,96,105,117,123,134,153,204,205,245,251,254,258,269,272,278,291,300,301,310,326,346,347,356,405,461,464,487,503,506,508,522,535,542,549,550,569,574,580,585,626,630,640,653,654,656,657,662,665,689,714,727,741,771,776,786,797,808,817,828,838,855,907,936,948,950,963,968,994,1006 +0420_00157 4,13,15,20,26,52,87,89,96,99,102,110,123,131,134,137,140,151,158,160,175,176,178,193,196,201,207,212,222,223,233,242,247,280,290,298,300,316,325,327,329,343,347,348,355,356,386,387,391,397,408,416,419,424,425,455,461,471,473,482,487,493,495,503,506,508,524,549,550,553,567,576,578,590,598,609,626,636,642,656,658,662,677,683,697,705,715,727,739,750,755,772,778,781,782,786,794,797,804,813,814,819,823,840,842,847,855,857,864,866,894,901,908,912,916,936,939,941,948,951,961,967,968,971,973,974,1001,1002,1020 +0420_00158 15,20,26,31,47,62,80,81,89,96,111,119,134,175,178,199,217,222,245,253,254,266,292,300,301,305,334,347,386,425,430,442,452,461,467,473,482,487,503,508,520,524,538,541,549,550,572,574,576,612,635,638,670,680,701,716,727,734,739,743,760,780,819,820,852,906,908,911,914,916,937,948,953,963,967,968,994,997,1006 +0420_00159 15,20,26,47,62,80,89,96,105,111,134,139,154,171,175,178,189,199,222,245,254,294,300,305,310,315,347,386,401,410,425,430,442,452,473,480,487,503,508,512,520,524,545,549,550,572,574,576,612,633,638,716,727,739,742,759,780,785,800,808,819,820,822,873,908,910,911,914,916,917,930,948,962,965,968,973,988,994,1006 +0420_00160 2,6,15,20,26,46,51,61,80,83,85,89,92,96,99,102,103,110,111,119,124,131,134,137,151,153,154,163,165,167,175,185,195,212,222,223,228,241,247,254,274,278,284,300,327,336,339,347,355,357,378,387,389,392,393,403,406,425,435,445,461,462,468,473,487,503,506,508,514,524,540,549,550,553,559,574,598,601,608,612,650,651,662,675,677,679,682,684,727,737,739,747,764,779,780,786,797,812,813,817,819,823,840,853,866,894,900,901,908,915,939,946,948,959,961,968,973,974,984,994,995,1001,1006,1019 +0420_00161 15,42,58,66,85,89,93,96,104,110,117,134,153,156,173,175,200,216,245,260,272,280,282,300,311,326,347,349,351,364,380,388,390,394,396,422,424,438,442,458,461,471,483,487,493,503,504,506,508,524,542,543,550,552,557,562,575,590,602,603,613,626,634,652,654,658,662,669,681,689,705,714,717,719,722,741,743,786,797,817,850,866,867,918,920,927,935,936,946,948,950,961,964,968,974,982,1022 +0420_00162 15,58,79,85,89,93,96,104,110,117,134,153,156,173,175,200,212,216,245,260,272,280,282,283,300,311,326,347,351,355,364,373,380,388,396,422,424,438,442,458,461,471,483,487,493,503,504,506,508,516,524,542,550,557,562,590,602,603,604,626,634,652,654,662,669,681,689,714,717,719,722,741,743,786,797,799,817,822,850,866,867,889,918,920,927,933,936,946,948,950,961,964,968,970,974,1022 +0420_00163 15,18,20,23,26,52,81,89,96,134,174,175,191,199,203,222,223,237,244,254,283,300,310,345,347,355,363,371,379,386,401,404,408,425,444,467,473,487,503,508,517,520,524,541,549,550,572,576,584,594,596,599,612,627,631,673,677,683,727,739,757,762,791,794,795,819,820,908,931,948,953,968,1006,1012 +0420_00164 20,23,26,35,58,75,96,105,115,117,134,153,182,205,212,245,251,253,254,258,269,272,278,291,300,301,346,347,405,461,474,476,487,503,506,508,522,535,542,545,549,550,555,574,580,584,585,599,611,630,640,653,654,656,662,689,714,727,739,741,771,776,786,797,808,828,838,871,886,936,948,959,963,968,994,1006 +0420_00165 1,4,12,15,26,54,62,63,67,94,96,128,134,139,153,180,183,200,228,232,245,289,322,330,332,342,359,405,439,442,444,451,461,476,487,494,495,508,513,515,519,524,536,544,550,555,559,569,576,577,584,603,608,613,616,625,626,641,660,723,731,760,783,806,830,854,855,898,935,948,968,979,994,996,1012 +0420_00166 15,42,66,89,96,106,110,117,134,175,193,245,260,272,277,278,282,349,380,382,388,390,394,419,422,423,424,438,442,461,471,483,487,503,504,506,508,524,542,543,550,552,558,575,603,613,626,634,652,654,658,662,675,681,705,714,717,722,741,786,797,850,866,867,902,917,918,920,948,950,964,968,978,982,1022 +0420_00167 15,20,26,80,89,104,111,134,175,178,199,222,230,245,260,263,266,299,300,305,316,347,360,386,398,421,430,452,467,473,477,494,503,505,508,515,524,541,545,549,550,554,556,572,574,576,595,638,656,671,706,716,727,730,767,778,780,812,819,820,852,860,885,908,911,914,916,944,948,953,960,968,994,995,1006,1021 +0420_00168 15,20,35,54,55,89,111,117,123,134,143,175,194,207,212,220,247,272,300,310,311,321,328,347,352,356,401,407,413,438,442,475,506,508,515,522,524,542,543,549,550,554,566,569,581,599,600,606,615,626,631,641,652,654,658,662,677,683,686,705,722,727,741,772,797,802,838,871,878,886,902,915,920,921,936,948,964,968,1009,1022 +0420_00169 3,4,7,15,20,26,36,52,89,96,121,134,141,145,153,160,179,194,209,218,225,229,245,260,272,277,293,300,304,339,347,379,384,386,390,395,410,421,425,427,461,473,479,487,490,491,503,508,524,544,549,550,551,572,581,585,601,603,640,656,660,662,666,673,686,717,719,727,737,739,741,785,786,797,825,828,829,834,845,850,855,860,870,877,890,911,919,948,959,963,964,968,973,974,978,994,1010,1016 diff --git a/processed_data/0420/0420_fingerprints_maccs_canonical_success.tsv b/processed_data/0420/0420_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..8db5b6dab --- /dev/null +++ b/processed_data/0420/0420_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 34,53,62,65,66,75,79,80,83,85,86,90,91,92,93,96,97,98,99,100,105,108,110,111,112,113,115,116,117,118,120,121,122,125,127,128,129,131,135,137,138,139,142,143,144,145,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00002 34,50,65,76,80,83,85,86,90,91,96,98,99,100,101,105,108,111,116,120,121,122,129,137,138,142,144,145,147,148,151,153,156,158,160,161,162,163,165 +0420_00003 50,66,75,76,80,82,83,85,86,91,92,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,128,129,135,137,138,139,142,144,145,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00004 19,26,50,53,57,66,76,80,83,85,86,90,91,96,97,98,99,100,101,105,109,111,112,120,121,122,123,127,128,129,131,135,137,138,139,142,143,144,145,147,148,151,153,156,157,158,159,161,162,163,164,165 +0420_00005 19,34,57,66,75,83,85,86,89,91,92,93,96,97,98,99,100,101,105,108,109,110,112,115,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,148,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00006 50,66,76,80,82,83,85,86,89,91,92,96,97,98,99,100,101,104,105,109,110,111,112,117,120,121,122,127,128,129,131,132,135,137,138,139,142,143,144,145,146,147,148,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00007 16,19,22,57,66,72,75,83,85,86,89,92,93,95,96,97,98,100,101,105,109,110,111,112,113,115,116,117,120,121,122,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00008 30,49,65,75,79,80,83,85,86,90,91,93,96,98,100,105,108,111,112,115,116,120,121,122,125,128,129,137,142,144,145,147,148,149,150,151,153,156,158,160,161,162,163,165 +0420_00009 34,53,54,57,66,72,79,82,83,89,90,91,93,95,96,97,98,99,100,101,104,105,109,111,112,120,121,123,126,127,129,131,132,135,137,138,139,140,142,143,144,145,146,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00010 53,66,80,82,83,85,86,90,91,96,97,98,100,101,105,108,109,111,112,114,116,120,121,122,128,129,131,135,137,138,139,142,144,145,147,148,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00011 26,45,50,66,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,116,120,121,122,123,126,128,129,131,135,137,138,139,142,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00012 30,49,65,75,79,80,83,85,86,90,91,93,96,98,100,105,108,111,112,115,116,120,121,122,125,128,129,137,142,144,145,147,148,149,150,151,153,156,158,160,161,162,163,165 +0420_00013 19,26,50,57,66,76,80,83,85,86,89,92,96,97,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0420_00014 26,45,50,66,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,116,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00015 26,30,45,49,50,66,75,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,115,116,120,121,122,128,129,135,137,138,142,144,145,147,148,149,151,153,154,156,158,160,161,162,163,164,165 +0420_00016 50,65,76,79,82,83,85,86,90,91,96,98,99,100,104,105,108,109,111,113,116,118,120,121,122,127,128,129,131,132,137,138,139,142,143,144,145,147,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0420_00017 34,66,83,85,86,90,91,92,96,98,99,100,101,105,110,111,112,117,120,121,122,127,128,129,135,137,138,142,143,144,145,147,148,151,153,154,156,158,161,162,163,164,165 +0420_00018 57,66,72,75,80,82,83,85,86,90,91,92,95,96,97,98,100,101,104,105,108,109,110,111,112,116,117,120,121,122,127,128,129,131,132,135,137,138,139,140,142,143,144,145,146,147,148,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00019 65,75,83,85,86,90,91,93,95,96,97,98,100,101,105,108,111,114,115,116,120,121,122,123,126,127,128,129,132,136,137,141,142,143,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00020 34,53,65,66,75,79,80,83,85,86,90,91,92,93,96,97,98,99,100,105,110,111,112,113,115,116,117,118,120,121,122,125,127,128,129,131,135,137,138,139,142,143,144,145,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00021 19,50,66,75,76,79,83,85,89,90,91,93,96,97,98,99,100,101,105,108,111,112,116,120,121,122,123,126,127,128,129,135,137,139,141,142,143,144,145,146,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00022 19,50,57,66,72,75,76,83,85,86,90,92,93,95,96,97,99,100,105,108,109,110,111,112,115,116,117,120,121,122,123,127,128,129,132,135,136,137,138,139,140,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00023 26,50,66,76,80,82,83,85,86,91,92,96,98,99,100,101,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,139,142,143,144,145,147,148,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00024 50,66,75,76,80,82,83,85,86,91,92,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,128,129,135,137,138,139,142,144,145,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00025 19,66,75,79,83,85,90,91,92,93,96,97,98,101,105,108,110,111,112,114,117,120,121,122,127,128,129,131,135,137,139,142,143,144,145,148,149,150,152,155,156,157,158,159,160,161,162,163,164,165 +0420_00026 50,66,76,78,79,83,85,86,89,93,96,98,99,100,101,105,108,109,111,112,116,119,120,121,122,123,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00027 34,53,62,65,75,79,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,113,115,116,118,120,121,122,125,127,128,129,131,137,138,139,142,143,144,145,147,148,149,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00028 50,62,65,75,76,82,83,84,85,86,90,91,93,96,97,98,99,100,101,104,105,108,111,115,116,120,121,122,123,125,126,128,129,131,137,138,141,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00029 19,26,50,57,66,72,76,80,83,85,86,89,92,93,96,97,98,99,100,101,105,109,110,111,112,113,117,120,121,122,126,127,128,129,132,135,137,138,140,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00030 50,65,66,76,79,82,83,85,89,90,91,93,96,97,98,99,100,101,105,108,109,111,112,116,120,121,122,123,126,128,129,131,137,138,139,142,144,145,146,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00031 65,66,72,79,83,85,86,91,92,93,95,96,98,99,100,104,105,108,110,111,112,114,116,117,120,121,122,123,126,127,128,129,132,137,138,139,142,143,144,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00032 19,26,50,57,66,72,75,76,83,85,86,89,92,93,96,97,98,99,100,105,109,110,111,112,113,115,116,117,120,121,122,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00033 50,57,65,76,79,83,85,89,93,96,97,98,99,100,105,108,111,116,120,121,122,123,126,129,137,142,144,145,146,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00034 34,53,62,65,75,79,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,113,115,116,118,120,121,122,125,127,128,129,131,137,138,139,142,143,144,145,147,148,149,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00035 19,26,50,57,66,76,80,83,85,86,89,90,91,92,96,97,98,99,100,101,104,105,109,110,111,112,117,120,121,122,127,128,129,132,135,137,138,139,142,143,144,145,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0420_00036 34,53,65,75,79,83,85,86,90,91,93,96,97,98,99,100,105,111,113,115,116,118,120,121,122,125,127,128,129,131,137,138,139,142,143,144,145,147,148,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00037 19,26,50,57,66,75,76,83,85,86,89,92,93,95,96,97,98,99,100,105,109,110,111,112,113,115,116,117,120,121,122,127,128,129,132,135,136,137,138,139,140,142,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00038 19,30,38,49,50,54,66,75,76,77,82,83,85,86,89,90,91,93,95,96,99,100,101,104,105,108,109,111,112,115,116,120,121,122,123,126,127,128,129,131,132,135,137,138,139,140,141,142,143,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00039 13,24,30,38,49,50,53,54,57,66,71,75,76,77,79,83,85,86,89,90,91,92,93,94,95,96,97,98,99,100,101,102,104,105,108,110,111,112,113,114,116,117,118,120,121,122,123,124,125,126,127,128,129,131,132,135,137,138,139,140,141,142,143,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00040 50,65,76,82,83,90,91,93,95,96,97,98,99,100,101,104,105,108,111,116,120,121,123,126,127,128,129,131,132,136,137,142,143,144,145,146,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00041 66,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,116,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00042 50,66,76,78,79,83,85,86,89,93,96,98,99,100,101,105,108,109,111,112,116,119,120,121,122,123,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00043 19,65,80,83,85,86,90,91,93,96,98,100,105,111,113,114,116,120,121,122,126,127,128,129,137,138,142,143,144,145,147,148,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00044 34,65,75,79,83,85,86,90,91,93,96,98,99,100,105,111,113,115,116,118,120,121,122,125,127,128,129,131,137,138,139,142,143,144,145,147,148,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00045 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00046 19,26,50,57,66,75,76,83,85,86,89,92,93,96,97,98,99,100,105,109,110,111,112,115,116,117,120,121,122,127,128,129,132,135,136,137,138,142,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00047 34,65,79,82,83,85,86,90,91,96,98,99,100,104,105,109,111,118,120,121,122,128,129,131,132,137,138,139,142,144,145,147,148,150,151,153,155,156,157,158,161,162,163,164,165 +0420_00048 34,65,85,86,90,91,93,95,98,99,100,105,111,113,120,121,122,125,126,127,129,137,138,139,142,143,145,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0420_00049 26,45,50,66,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,114,118,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00050 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00051 50,57,62,65,66,76,79,80,83,85,86,90,91,92,96,97,98,99,100,101,105,108,109,110,111,112,114,116,117,120,121,122,125,128,129,135,137,138,142,144,145,147,148,149,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00052 30,38,49,50,53,54,57,66,76,77,79,83,85,86,89,90,91,92,93,95,96,97,98,99,100,101,104,105,108,110,111,112,113,114,116,117,118,120,121,122,123,125,126,127,128,129,131,132,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00053 65,79,82,83,85,86,90,91,96,98,100,104,105,108,109,111,114,116,118,120,121,122,128,129,131,132,137,138,139,142,144,145,147,148,150,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00054 65,79,83,85,86,89,90,91,93,96,97,98,100,104,105,111,113,118,120,121,122,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00055 30,34,49,65,75,79,82,83,85,86,90,91,93,96,98,99,100,105,109,111,112,115,116,118,120,121,122,128,129,131,137,138,139,142,144,145,147,148,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00056 19,34,50,65,75,76,80,83,85,86,90,93,95,96,98,99,100,105,108,115,116,120,121,122,127,129,132,137,142,143,144,145,148,149,151,152,153,154,156,158,160,161,162,163,164,165 +0420_00057 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00058 50,65,66,75,76,79,82,83,85,89,91,93,96,97,98,99,100,101,105,108,109,111,112,116,120,121,122,123,126,128,129,137,138,139,141,142,144,145,146,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00059 19,50,65,66,75,76,83,85,86,90,91,93,95,96,97,98,99,100,105,108,112,115,116,120,121,122,123,126,127,128,129,132,136,137,138,141,142,143,144,145,146,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00060 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65,75,83,85,86,90,91,93,95,96,97,98,100,101,105,108,111,114,115,116,120,121,122,123,126,127,128,129,132,136,137,141,142,143,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00070 65,75,79,83,85,86,90,91,93,96,98,100,105,108,111,114,115,116,118,120,121,122,125,128,129,131,137,138,142,144,145,147,148,149,150,151,153,155,156,158,160,161,162,163,165 +0420_00071 34,65,75,79,83,85,86,90,91,93,96,98,99,100,105,111,115,116,118,120,121,122,125,128,129,131,137,138,142,144,145,147,148,150,151,153,155,156,158,160,161,162,163,165 +0420_00072 30,49,50,65,75,76,79,82,83,85,86,91,93,95,96,98,99,100,101,105,108,109,111,112,115,116,120,121,122,128,129,137,138,139,142,144,145,147,148,149,153,155,156,157,158,160,161,162,163,164,165 +0420_00073 11,19,26,45,50,66,76,80,83,85,90,91,93,95,96,97,99,100,101,104,105,111,112,114,116,120,121,122,123,126,127,128,129,131,132,135,137,139,142,143,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 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65,66,83,85,86,90,91,96,98,100,104,105,108,111,112,114,116,118,120,121,122,128,129,137,138,142,144,145,147,148,151,153,155,156,158,160,161,162,163,165 +0420_00079 66,75,80,83,85,92,93,96,97,98,100,105,108,110,111,112,116,117,118,120,121,122,123,126,127,128,129,132,135,136,137,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00080 19,49,62,65,66,75,80,83,85,86,90,91,92,93,96,97,98,100,101,102,105,108,110,111,112,113,114,115,116,117,120,121,122,123,124,125,126,127,128,129,131,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00081 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00082 45,49,50,62,65,66,76,79,80,83,85,86,90,91,96,97,98,99,100,101,105,108,111,112,116,120,121,122,125,127,128,129,131,135,137,138,139,142,143,144,145,147,148,149,150,151,152,153,156,157,158,160,161,162,163,164,165 +0420_00083 19,50,62,65,75,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,114,115,116,120,121,122,123,125,126,128,129,131,137,138,141,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00084 50,62,66,76,80,83,85,86,92,96,97,98,99,100,101,105,108,110,111,112,116,117,120,121,122,125,127,128,129,135,136,137,138,142,143,144,145,147,148,149,150,153,154,156,158,159,160,161,162,163,164,165 +0420_00085 50,65,75,76,83,85,86,90,91,93,95,96,97,98,99,100,101,105,108,111,115,116,120,121,122,123,126,127,128,129,132,136,137,141,142,143,144,145,146,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00086 19,65,80,83,85,86,90,91,96,98,100,105,111,114,116,120,121,122,128,129,137,138,142,144,145,147,148,151,153,155,156,158,160,161,162,163,165 +0420_00087 26,50,62,66,76,80,82,83,85,86,91,92,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,125,127,128,129,132,135,136,137,138,139,142,143,144,145,146,147,148,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00088 13,24,26,30,45,49,50,66,71,75,76,80,83,85,86,90,91,93,94,96,97,98,99,100,101,102,105,108,111,112,118,120,121,122,123,124,126,127,128,129,132,135,137,138,142,143,144,145,146,147,148,149,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00089 30,49,50,65,75,76,79,83,85,86,90,91,93,96,98,99,100,105,108,111,112,115,116,120,121,122,125,128,129,131,137,138,142,144,145,147,148,149,150,151,153,155,156,158,160,161,162,163,165 +0420_00090 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49,50,57,65,66,76,79,80,83,85,86,89,90,91,92,93,96,97,98,99,100,101,105,108,109,110,111,112,114,116,117,120,121,122,123,125,126,128,129,135,137,138,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00095 19,66,75,79,83,85,90,91,92,93,96,97,98,101,105,108,110,111,112,114,117,120,121,122,127,128,129,131,135,137,139,142,143,144,145,148,149,150,152,155,156,157,158,159,160,161,162,163,164,165 +0420_00096 57,66,75,83,85,86,90,91,93,96,97,98,100,105,108,109,111,112,115,116,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00097 16,19,22,26,45,50,57,62,66,76,79,80,83,85,86,90,91,93,95,96,97,98,99,100,104,105,108,111,112,114,116,118,120,121,122,123,125,126,128,129,131,132,135,137,138,140,141,142,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00098 19,50,57,66,72,75,76,83,85,86,92,93,95,96,97,99,100,105,108,109,110,111,112,115,116,117,120,121,122,123,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00099 26,50,62,66,76,80,83,85,86,92,96,97,98,99,100,101,105,108,110,111,112,116,117,120,121,122,125,127,128,129,132,135,136,137,138,142,143,144,145,147,148,149,150,153,154,156,158,159,160,161,162,163,164,165 +0420_00100 19,50,65,75,76,79,83,85,86,91,92,93,96,98,99,100,104,105,108,110,111,115,116,117,120,121,122,127,128,129,132,137,139,142,143,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00101 19,50,65,66,76,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,112,114,120,121,122,123,126,128,129,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00102 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50,65,76,79,83,85,86,90,91,96,98,99,100,105,108,111,113,116,120,121,122,125,127,128,129,131,137,138,139,142,143,144,145,147,148,150,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00115 34,62,65,79,82,83,85,86,90,91,96,98,99,100,104,105,109,111,118,120,121,122,128,129,131,132,137,138,139,142,144,145,147,148,150,151,153,155,156,157,158,161,162,163,164,165 +0420_00116 34,50,65,76,79,83,85,86,89,90,91,93,96,98,99,100,105,111,120,121,122,123,126,128,129,137,138,142,144,145,146,147,148,149,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00117 26,45,50,53,54,62,66,76,80,83,85,86,90,91,93,95,96,97,98,99,100,105,108,111,112,113,114,116,118,120,121,122,123,125,126,127,128,129,131,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00118 49,50,65,76,79,82,83,85,90,91,96,98,99,100,104,105,108,109,111,116,120,121,122,125,128,129,131,132,137,138,139,142,144,145,147,148,150,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00119 50,57,66,76,79,80,82,83,85,89,90,91,92,93,95,96,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,123,126,128,129,131,132,135,137,138,139,140,142,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00120 19,26,50,57,66,76,80,83,85,86,89,92,93,96,97,98,99,100,101,105,109,110,111,112,113,117,120,121,122,126,127,128,129,132,135,137,138,142,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00121 19,65,66,80,83,85,86,90,91,93,96,97,98,100,105,108,111,112,113,114,116,120,121,122,123,126,127,128,129,137,138,141,142,143,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00122 50,65,76,79,83,85,86,89,90,91,93,96,98,99,100,105,108,111,114,116,120,121,122,123,126,128,129,137,138,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00123 19,65,66,80,83,85,86,90,91,93,96,97,98,100,105,108,111,112,114,116,120,121,122,123,126,128,129,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00124 19,38,50,62,66,75,76,77,79,83,85,86,93,96,97,98,99,100,101,105,108,111,112,113,116,118,120,121,122,123,125,126,127,128,129,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00125 34,50,53,54,57,65,72,76,79,82,83,89,90,91,93,96,98,99,100,104,105,109,111,120,121,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00126 50,57,65,72,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,113,116,120,121,122,123,126,127,128,129,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00127 13,23,24,30,49,66,71,75,80,83,85,86,93,94,96,97,98,100,102,105,106,108,110,111,112,117,118,120,121,122,123,124,126,127,128,129,132,135,136,137,138,140,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00128 66,75,80,83,85,86,93,96,97,98,100,105,108,111,112,116,118,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00129 50,57,66,76,79,80,83,85,89,90,91,92,93,95,96,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,123,126,128,129,132,135,136,137,138,140,141,142,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00130 50,57,65,66,75,76,79,83,85,86,92,93,95,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,123,125,126,128,129,135,137,138,140,141,142,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00131 50,65,76,79,83,85,86,93,95,96,98,99,100,101,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00132 38,65,66,77,82,83,85,90,91,96,98,100,104,105,108,109,111,112,114,116,118,120,121,122,128,129,131,132,137,138,139,142,144,145,147,148,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00133 19,50,62,65,66,75,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,113,114,115,116,120,121,122,123,125,126,127,128,129,131,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00134 50,57,65,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00135 19,50,66,72,75,76,79,83,85,89,93,96,97,98,99,100,101,105,108,111,112,113,116,120,121,122,123,125,126,127,128,129,135,136,137,140,141,142,143,144,145,146,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00136 53,66,75,80,83,85,86,90,91,93,96,97,98,100,104,105,108,111,112,116,118,120,121,122,123,125,126,128,129,131,135,136,137,138,139,140,142,144,145,146,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00137 26,50,66,76,83,85,89,90,91,92,96,98,99,100,104,105,108,110,111,112,114,116,117,118,120,121,122,127,128,129,131,132,135,136,137,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00138 50,57,65,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00139 26,45,49,50,57,65,76,79,83,84,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,125,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00140 26,45,50,66,76,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,112,114,116,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00141 34,65,79,80,83,85,90,91,92,96,97,98,99,100,105,110,111,113,117,120,121,122,125,127,137,142,143,144,145,147,148,151,153,154,156,158,161,162,163,164,165 +0420_00142 50,65,76,79,83,85,86,89,90,91,93,96,98,99,100,105,108,111,116,120,121,122,123,126,128,129,136,137,138,142,144,145,146,147,148,149,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00143 34,65,79,82,83,85,86,90,91,96,98,99,100,105,109,111,118,120,121,122,128,129,131,137,138,139,142,144,145,147,148,151,153,155,156,157,158,161,162,163,164,165 +0420_00144 62,65,66,72,75,80,83,85,86,89,90,91,93,95,96,97,98,99,100,104,105,108,111,112,113,114,116,118,120,121,122,123,125,126,127,128,129,131,132,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00145 19,65,80,83,85,86,90,91,93,96,97,98,100,105,111,113,114,116,120,121,122,126,127,128,129,137,138,142,143,144,145,147,148,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00146 62,65,66,75,79,80,83,85,86,93,96,97,98,100,105,108,111,112,114,116,118,120,121,122,123,125,126,128,129,135,137,138,141,142,144,145,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00147 66,80,83,85,86,90,91,96,98,100,104,105,111,112,118,120,121,122,128,129,135,137,138,142,144,145,147,148,151,153,156,158,161,162,163,165 +0420_00148 66,75,80,83,85,86,93,96,97,98,100,105,108,111,112,116,118,120,121,122,123,125,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00149 50,54,57,66,72,76,79,83,85,86,89,92,93,95,96,97,98,99,100,101,105,108,110,111,112,113,116,117,120,121,122,123,125,126,127,128,129,131,135,136,137,138,139,140,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00150 65,66,72,79,83,85,86,91,92,93,95,96,98,100,104,105,108,110,111,112,114,116,117,118,120,121,122,123,126,127,128,129,132,137,138,139,142,143,144,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00151 65,83,96,98,105,120,121,125,137,142,145,149,151,156,160,161,162,163,165 +0420_00152 65,72,79,83,85,86,89,90,91,93,96,97,98,100,105,108,111,113,120,121,122,123,125,126,127,128,129,132,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00153 65,79,80,83,85,90,91,92,96,97,98,99,100,105,110,111,113,117,120,121,122,125,127,137,142,143,144,145,147,148,151,153,154,156,158,161,162,163,164,165 +0420_00154 19,50,66,72,75,76,79,83,85,89,93,96,97,98,99,100,101,105,108,111,112,113,116,120,121,122,123,125,126,127,128,129,135,137,140,141,142,143,144,145,146,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00155 19,62,65,66,75,80,83,85,86,90,91,92,93,96,97,98,100,101,105,108,110,111,112,113,114,115,116,117,120,121,122,123,125,126,127,128,129,131,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00156 50,53,57,62,65,76,79,83,89,90,91,93,95,96,97,98,99,105,108,112,114,116,120,121,123,125,126,127,129,131,132,136,137,139,140,142,143,145,146,149,150,151,152,154,155,156,157,159,160,161,162,163,164,165 +0420_00157 26,45,50,57,66,76,80,83,85,86,90,91,92,93,95,96,97,98,99,100,105,108,109,110,111,112,113,117,118,120,121,122,123,125,126,127,128,129,131,132,135,137,138,139,140,142,143,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00158 23,57,66,75,83,85,92,93,95,96,97,99,100,101,105,106,110,111,112,117,118,120,121,122,123,126,127,128,129,132,135,136,137,140,142,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00159 23,66,75,83,85,92,93,96,97,99,100,101,105,106,108,110,111,112,117,118,120,121,122,123,126,127,128,129,135,136,137,140,141,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00160 16,19,22,26,45,50,57,66,76,79,80,83,85,86,90,91,92,93,95,96,97,98,99,100,101,105,108,110,111,112,114,116,117,118,120,121,122,123,125,126,128,129,132,135,137,138,140,141,142,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00161 26,34,50,53,54,57,65,72,76,79,82,83,85,89,90,91,92,96,97,98,99,100,105,109,110,111,117,120,121,122,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00162 26,34,50,53,54,57,65,72,76,79,82,83,85,89,90,91,92,96,97,98,99,100,105,109,110,111,117,120,121,122,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00163 23,66,75,80,83,85,86,93,96,97,98,100,105,106,108,110,111,112,117,118,120,121,122,123,126,128,129,135,136,137,138,140,142,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00164 50,57,62,65,76,79,83,89,93,95,96,97,98,99,105,108,112,114,116,120,121,123,125,126,127,129,132,136,137,140,141,142,143,145,146,149,150,151,152,154,155,156,157,159,160,161,162,163,164,165 +0420_00165 57,65,66,72,79,80,83,85,89,91,92,96,97,98,100,104,105,109,110,112,113,114,117,120,121,122,123,125,127,128,132,136,137,138,139,140,142,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00166 26,50,57,65,76,79,83,85,89,90,91,92,96,97,98,99,100,105,108,110,111,117,120,121,122,127,128,129,136,137,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00167 19,22,23,66,75,83,85,92,93,96,98,99,100,101,105,106,110,111,112,113,117,118,120,121,122,123,126,127,128,129,135,136,137,140,142,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00168 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00169 16,22,57,66,75,79,83,85,86,89,90,91,92,93,95,96,97,98,99,100,101,105,108,109,110,111,112,115,116,117,120,121,122,123,125,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0420/0420_fingerprints_maccs_isomeric_success.tsv b/processed_data/0420/0420_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..8db5b6dab --- /dev/null +++ b/processed_data/0420/0420_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 34,53,62,65,66,75,79,80,83,85,86,90,91,92,93,96,97,98,99,100,105,108,110,111,112,113,115,116,117,118,120,121,122,125,127,128,129,131,135,137,138,139,142,143,144,145,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00002 34,50,65,76,80,83,85,86,90,91,96,98,99,100,101,105,108,111,116,120,121,122,129,137,138,142,144,145,147,148,151,153,156,158,160,161,162,163,165 +0420_00003 50,66,75,76,80,82,83,85,86,91,92,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,128,129,135,137,138,139,142,144,145,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00004 19,26,50,53,57,66,76,80,83,85,86,90,91,96,97,98,99,100,101,105,109,111,112,120,121,122,123,127,128,129,131,135,137,138,139,142,143,144,145,147,148,151,153,156,157,158,159,161,162,163,164,165 +0420_00005 19,34,57,66,75,83,85,86,89,91,92,93,96,97,98,99,100,101,105,108,109,110,112,115,117,120,121,122,127,128,129,132,135,137,138,142,143,144,145,148,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00006 50,66,76,80,82,83,85,86,89,91,92,96,97,98,99,100,101,104,105,109,110,111,112,117,120,121,122,127,128,129,131,132,135,137,138,139,142,143,144,145,146,147,148,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00007 16,19,22,57,66,72,75,83,85,86,89,92,93,95,96,97,98,100,101,105,109,110,111,112,113,115,116,117,120,121,122,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00008 30,49,65,75,79,80,83,85,86,90,91,93,96,98,100,105,108,111,112,115,116,120,121,122,125,128,129,137,142,144,145,147,148,149,150,151,153,156,158,160,161,162,163,165 +0420_00009 34,53,54,57,66,72,79,82,83,89,90,91,93,95,96,97,98,99,100,101,104,105,109,111,112,120,121,123,126,127,129,131,132,135,137,138,139,140,142,143,144,145,146,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00010 53,66,80,82,83,85,86,90,91,96,97,98,100,101,105,108,109,111,112,114,116,120,121,122,128,129,131,135,137,138,139,142,144,145,147,148,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00011 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65,66,83,85,86,90,91,96,98,100,104,105,108,111,112,114,116,118,120,121,122,128,129,137,138,142,144,145,147,148,151,153,155,156,158,160,161,162,163,165 +0420_00079 66,75,80,83,85,92,93,96,97,98,100,105,108,110,111,112,116,117,118,120,121,122,123,126,127,128,129,132,135,136,137,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00080 19,49,62,65,66,75,80,83,85,86,90,91,92,93,96,97,98,100,101,102,105,108,110,111,112,113,114,115,116,117,120,121,122,123,124,125,126,127,128,129,131,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00081 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00082 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19,65,80,83,85,86,90,91,96,98,100,105,111,114,116,120,121,122,128,129,137,138,142,144,145,147,148,151,153,155,156,158,160,161,162,163,165 +0420_00087 26,50,62,66,76,80,82,83,85,86,91,92,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,125,127,128,129,132,135,136,137,138,139,142,143,144,145,146,147,148,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00088 13,24,26,30,45,49,50,66,71,75,76,80,83,85,86,90,91,93,94,96,97,98,99,100,101,102,105,108,111,112,118,120,121,122,123,124,126,127,128,129,132,135,137,138,142,143,144,145,146,147,148,149,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00089 30,49,50,65,75,76,79,83,85,86,90,91,93,96,98,99,100,105,108,111,112,115,116,120,121,122,125,128,129,131,137,138,142,144,145,147,148,149,150,151,153,155,156,158,160,161,162,163,165 +0420_00090 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49,50,57,65,66,76,79,80,83,85,86,89,90,91,92,93,96,97,98,99,100,101,105,108,109,110,111,112,114,116,117,120,121,122,123,125,126,128,129,135,137,138,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00095 19,66,75,79,83,85,90,91,92,93,96,97,98,101,105,108,110,111,112,114,117,120,121,122,127,128,129,131,135,137,139,142,143,144,145,148,149,150,152,155,156,157,158,159,160,161,162,163,164,165 +0420_00096 57,66,75,83,85,86,90,91,93,96,97,98,100,105,108,109,111,112,115,116,120,121,122,127,128,129,132,135,137,138,142,143,144,145,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00097 16,19,22,26,45,50,57,62,66,76,79,80,83,85,86,90,91,93,95,96,97,98,99,100,104,105,108,111,112,114,116,118,120,121,122,123,125,126,128,129,131,132,135,137,138,140,141,142,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00098 19,50,57,66,72,75,76,83,85,86,92,93,95,96,97,99,100,105,108,109,110,111,112,115,116,117,120,121,122,123,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00099 26,50,62,66,76,80,83,85,86,92,96,97,98,99,100,101,105,108,110,111,112,116,117,120,121,122,125,127,128,129,132,135,136,137,138,142,143,144,145,147,148,149,150,153,154,156,158,159,160,161,162,163,164,165 +0420_00100 19,50,65,75,76,79,83,85,86,91,92,93,96,98,99,100,104,105,108,110,111,115,116,117,120,121,122,127,128,129,132,137,139,142,143,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00101 19,50,65,66,76,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,112,114,120,121,122,123,126,128,129,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00102 65,72,79,83,85,86,89,90,91,93,96,97,98,100,104,105,108,111,113,120,121,122,123,126,127,128,129,131,132,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00103 50,65,76,79,83,85,90,91,93,96,97,98,99,100,101,105,108,111,116,120,121,122,123,126,128,129,137,142,144,145,148,149,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00104 26,45,50,66,76,78,80,83,85,86,96,98,99,100,101,105,108,111,112,114,116,118,119,120,121,122,125,128,129,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0420_00105 13,19,24,57,66,71,72,75,83,89,90,91,92,93,94,96,97,98,101,102,104,105,108,109,110,111,112,113,114,117,120,121,122,124,126,127,128,129,132,135,137,140,141,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00106 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50,57,65,72,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,113,116,120,121,122,123,126,127,128,129,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00127 13,23,24,30,49,66,71,75,80,83,85,86,93,94,96,97,98,100,102,105,106,108,110,111,112,117,118,120,121,122,123,124,126,127,128,129,132,135,136,137,138,140,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00128 66,75,80,83,85,86,93,96,97,98,100,105,108,111,112,116,118,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00129 50,57,66,76,79,80,83,85,89,90,91,92,93,95,96,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,123,126,128,129,132,135,136,137,138,140,141,142,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00130 50,57,65,66,75,76,79,83,85,86,92,93,95,96,97,98,99,100,101,105,108,109,110,111,112,116,117,120,121,122,123,125,126,128,129,135,137,138,140,141,142,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00131 50,65,76,79,83,85,86,93,95,96,98,99,100,101,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00132 38,65,66,77,82,83,85,90,91,96,98,100,104,105,108,109,111,112,114,116,118,120,121,122,128,129,131,132,137,138,139,142,144,145,147,148,151,153,155,156,157,158,160,161,162,163,164,165 +0420_00133 19,50,62,65,66,75,76,80,83,85,86,90,91,93,96,97,98,99,100,101,105,108,111,112,113,114,115,116,120,121,122,123,125,126,127,128,129,131,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00134 50,57,65,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00135 19,50,66,72,75,76,79,83,85,89,93,96,97,98,99,100,101,105,108,111,112,113,116,120,121,122,123,125,126,127,128,129,135,136,137,140,141,142,143,144,145,146,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00136 53,66,75,80,83,85,86,90,91,93,96,97,98,100,104,105,108,111,112,116,118,120,121,122,123,125,126,128,129,131,135,136,137,138,139,140,142,144,145,146,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00137 26,50,66,76,83,85,89,90,91,92,96,98,99,100,104,105,108,110,111,112,114,116,117,118,120,121,122,127,128,129,131,132,135,136,137,139,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00138 50,57,65,76,79,83,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,126,128,129,137,138,142,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00139 26,45,49,50,57,65,76,79,83,84,85,86,89,90,91,93,96,97,98,99,100,105,108,111,116,120,121,122,123,125,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00140 26,45,50,66,76,80,83,85,86,90,91,93,96,97,98,99,100,105,108,111,112,114,116,120,121,122,123,126,128,129,135,137,138,142,144,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00141 34,65,79,80,83,85,90,91,92,96,97,98,99,100,105,110,111,113,117,120,121,122,125,127,137,142,143,144,145,147,148,151,153,154,156,158,161,162,163,164,165 +0420_00142 50,65,76,79,83,85,86,89,90,91,93,96,98,99,100,105,108,111,116,120,121,122,123,126,128,129,136,137,138,142,144,145,146,147,148,149,150,151,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00143 34,65,79,82,83,85,86,90,91,96,98,99,100,105,109,111,118,120,121,122,128,129,131,137,138,139,142,144,145,147,148,151,153,155,156,157,158,161,162,163,164,165 +0420_00144 62,65,66,72,75,80,83,85,86,89,90,91,93,95,96,97,98,99,100,104,105,108,111,112,113,114,116,118,120,121,122,123,125,126,127,128,129,131,132,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00145 19,65,80,83,85,86,90,91,93,96,97,98,100,105,111,113,114,116,120,121,122,126,127,128,129,137,138,142,143,144,145,147,148,149,151,152,153,155,156,157,158,160,161,162,163,164,165 +0420_00146 62,65,66,75,79,80,83,85,86,93,96,97,98,100,105,108,111,112,114,116,118,120,121,122,123,125,126,128,129,135,137,138,141,142,144,145,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00147 66,80,83,85,86,90,91,96,98,100,104,105,111,112,118,120,121,122,128,129,135,137,138,142,144,145,147,148,151,153,156,158,161,162,163,165 +0420_00148 66,75,80,83,85,86,93,96,97,98,100,105,108,111,112,116,118,120,121,122,123,125,126,128,129,135,136,137,138,140,141,142,144,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00149 50,54,57,66,72,76,79,83,85,86,89,92,93,95,96,97,98,99,100,101,105,108,110,111,112,113,116,117,120,121,122,123,125,126,127,128,129,131,135,136,137,138,139,140,142,143,144,145,146,147,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00150 65,66,72,79,83,85,86,91,92,93,95,96,98,100,104,105,108,110,111,112,114,116,117,118,120,121,122,123,126,127,128,129,132,137,138,139,142,143,144,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00151 65,83,96,98,105,120,121,125,137,142,145,149,151,156,160,161,162,163,165 +0420_00152 65,72,79,83,85,86,89,90,91,93,96,97,98,100,105,108,111,113,120,121,122,123,125,126,127,128,129,132,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00153 65,79,80,83,85,90,91,92,96,97,98,99,100,105,110,111,113,117,120,121,122,125,127,137,142,143,144,145,147,148,151,153,154,156,158,161,162,163,164,165 +0420_00154 19,50,66,72,75,76,79,83,85,89,93,96,97,98,99,100,101,105,108,111,112,113,116,120,121,122,123,125,126,127,128,129,135,137,140,141,142,143,144,145,146,148,149,150,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00155 19,62,65,66,75,80,83,85,86,90,91,92,93,96,97,98,100,101,105,108,110,111,112,113,114,115,116,117,120,121,122,123,125,126,127,128,129,131,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00156 50,53,57,62,65,76,79,83,89,90,91,93,95,96,97,98,99,105,108,112,114,116,120,121,123,125,126,127,129,131,132,136,137,139,140,142,143,145,146,149,150,151,152,154,155,156,157,159,160,161,162,163,164,165 +0420_00157 26,45,50,57,66,76,80,83,85,86,90,91,92,93,95,96,97,98,99,100,105,108,109,110,111,112,113,117,118,120,121,122,123,125,126,127,128,129,131,132,135,137,138,139,140,142,143,144,145,146,147,148,149,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00158 23,57,66,75,83,85,92,93,95,96,97,99,100,101,105,106,110,111,112,117,118,120,121,122,123,126,127,128,129,132,135,136,137,140,142,143,144,145,146,147,148,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00159 23,66,75,83,85,92,93,96,97,99,100,101,105,106,108,110,111,112,117,118,120,121,122,123,126,127,128,129,135,136,137,140,141,142,143,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00160 16,19,22,26,45,50,57,66,76,79,80,83,85,86,90,91,92,93,95,96,97,98,99,100,101,105,108,110,111,112,114,116,117,118,120,121,122,123,125,126,128,129,132,135,137,138,140,141,142,144,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00161 26,34,50,53,54,57,65,72,76,79,82,83,85,89,90,91,92,96,97,98,99,100,105,109,110,111,117,120,121,122,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00162 26,34,50,53,54,57,65,72,76,79,82,83,85,89,90,91,92,96,97,98,99,100,105,109,110,111,117,120,121,122,123,126,127,128,129,131,132,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0420_00163 23,66,75,80,83,85,86,93,96,97,98,100,105,106,108,110,111,112,117,118,120,121,122,123,126,128,129,135,136,137,138,140,142,144,145,146,147,148,149,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00164 50,57,62,65,76,79,83,89,93,95,96,97,98,99,105,108,112,114,116,120,121,123,125,126,127,129,132,136,137,140,141,142,143,145,146,149,150,151,152,154,155,156,157,159,160,161,162,163,164,165 +0420_00165 57,65,66,72,79,80,83,85,89,91,92,96,97,98,100,104,105,109,110,112,113,114,117,120,121,122,123,125,127,128,132,136,137,138,139,140,142,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0420_00166 26,50,57,65,76,79,83,85,89,90,91,92,96,97,98,99,100,105,108,110,111,117,120,121,122,127,128,129,136,137,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00167 19,22,23,66,75,83,85,92,93,96,98,99,100,101,105,106,110,111,112,113,117,118,120,121,122,123,126,127,128,129,135,136,137,140,142,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00168 65,79,83,85,86,89,90,91,93,96,98,100,104,105,111,118,120,121,122,123,126,127,128,129,131,132,137,138,139,142,143,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0420_00169 16,22,57,66,75,79,83,85,86,89,90,91,92,93,95,96,97,98,99,100,101,105,108,109,110,111,112,115,116,117,120,121,122,123,125,126,127,128,129,132,135,136,137,138,140,141,142,143,144,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 diff --git a/processed_data/0420/0420_fingerprints_pubchem_canonical_success.tsv b/processed_data/0420/0420_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..3b0d52f97 --- /dev/null +++ b/processed_data/0420/0420_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 10,11,12,13,14,15,16,17,19,20,144,146,147,149,150,151,153,154,158,160,161,165,179,180,181,182,184,185,186,187,193,200,256,257,258,260,284,285,286,287,300,309,333,334,335,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,383,385,386,387,388,391,392,393,394,397,400,401,404,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,591,593,594,596,598,600,601,604,607,608,609,612,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,685,686,689,690,692,693,697,698,699,700,703,704,705,709,710,711,712,713,715,735,743,757,759,778,798,806,820,822 +0420_00002 10,11,12,13,15,16,144,146,147,179,180,181,182,186,228,233,234,256,257,258,284,285,286,300,333,334,336,341,345,346,352,356,357,358,359,366,371,372,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,417,419,431,432,435,438,442,443,447,450,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0420_00003 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,193,256,284,285,286,287,309,333,334,335,336,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,385,391,392,407,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,572,579,583,585,586,593,594,596,600,601,604,608,609,614,618,619,629,634,635,638,639,641,646,647,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,704,709,710,711,712,713,759,777,780,798,801,813,819,822 +0420_00004 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,193,214,220,256,284,285,286,287,300,309,333,334,335,336,339,341,345,346,347,348,352,353,356,357,366,367,368,371,372,377,378,381,385,391,392,393,394,406,407,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,564,565,571,572,574,579,583,585,586,593,594,595,596,600,601,604,608,609,614,615,618,619,620,629,634,635,638,639,641,644,657,658,661,662,665,666,667,669,678,679,680,681,684,689,690,692,697,698,699,700,703,704,709,710,711,712,713,759,777,780,798,801,813,819,822 +0420_00005 10,11,12,13,15,16,19,20,144,145,146,147,149,150,151,158,179,180,182,186,187,193,256,284,285,286,287,300,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,385,391,392,393,394,406,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,615,619,629,634,635,638,639,641,642,643,644,646,656,657,658,661,665,666,669,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,712,713,759,777,778,798,799,819,820,822,840,843,861,864 +0420_00006 10,11,12,13,15,16,19,20,144,146,147,149,150,151,179,180,181,182,186,187,188,189,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,377,378,385,391,392,407,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,572,574,579,580,582,583,585,586,593,594,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,643,646,647,657,658,661,665,666,668,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0420_00007 10,11,12,13,15,16,19,20,21,116,119,144,149,150,179,180,181,182,186,187,193,214,217,242,244,245,256,284,285,286,287,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,392,406,417,421,431,433,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,521,525,536,541,542,543,545,546,547,549,550,553,557,565,566,567,568,571,574,575,579,580,581,582,583,585,586,590,593,595,596,598,601,604,605,607,608,609,614,615,616,619,620,627,629,631,634,635,638,639,640,641,642,643,646,647,652,653,656,657,658,660,661,663,665,666,667,669,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,722,736,743,759,762,777,778,785,798,799,801,806,819,822,825 +0420_00008 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10,11,12,13,15,16,19,20,21,144,145,149,150,151,179,180,181,182,186,187,188,189,193,195,196,200,207,256,258,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,406,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,496,499,503,517,521,525,536,541,542,543,545,546,547,549,550,553,554,557,565,566,568,570,571,574,575,576,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,614,615,619,620,624,627,629,631,634,635,638,639,640,641,642,652,654,656,657,658,661,663,665,666,667,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,697,698,699,700,701,702,703,704,705,706,709,710,711,712,713,715,736,741,759,762,778,799,804,822,825,840,843,848,862,864 +0420_00155 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10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,486,491,492,496,500,503,507,517,521,522,524,525,528,531,536,539,540,541,546,547,548,549,550,553,554,556,557,564,565,567,570,571,574,575,577,578,579,580,583,585,586,593,595,596,600,601,604,605,608,609,612,614,615,616,618,619,620,629,634,635,638,639,641,642,644,656,657,658,660,661,662,665,666,667,668,669,672,678,679,680,681,682,684,685,687,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,759,822 +0420_00157 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10,11,12,13,15,16,19,20,21,144,147,149,150,151,156,157,158,179,180,186,187,228,230,231,256,284,285,286,287,333,334,336,337,338,341,342,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,639,641,642,646,647,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,759,777,780,792,798,801,819,822 +0420_00159 10,11,12,13,15,16,19,20,21,144,149,150,151,156,157,179,180,186,187,228,230,231,256,284,285,286,287,333,334,335,336,337,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,639,641,642,646,647,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,695,697,698,699,700,701,705,709,710,711,712,713,759,777,780,792,798,801,819,822 +0420_00160 10,11,12,13,14,15,16,17,19,20,21,116,119,144,146,147,149,150,151,153,154,156,157,158,161,165,172,179,180,181,182,183,186,187,188,189,193,194,200,207,214,216,217,256,258,284,285,286,287,300,333,334,335,336,337,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,565,567,570,571,574,579,580,583,585,586,593,594,595,596,600,601,604,608,609,612,613,614,615,616,619,620,629,634,635,638,639,641,642,644,656,657,658,660,661,665,666,667,669,672,674,678,679,680,681,683,684,685,686,689,690,691,692,693,696,697,698,699,700,701,702,703,704,705,708,709,710,711,712,713,759,778,780,798,806,813,820,822 +0420_00161 10,11,12,13,15,16,19,20,21,22,144,146,147,179,180,181,182,184,185,186,189,192,193,200,207,256,257,258,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,564,565,568,570,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,611,612,614,615,618,619,629,634,635,638,640,641,642,644,646,647,657,658,661,662,663,664,665,666,669,673,678,679,680,681,682,684,685,689,690,691,692,693,694,696,697,698,699,701,702,703,704,705,708,709,710,711,713,759,822 +0420_00162 10,11,12,13,15,16,19,20,21,22,144,146,147,179,180,181,182,184,185,186,189,192,193,200,207,256,257,258,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,564,565,568,570,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,611,612,614,615,618,619,629,634,635,638,640,641,642,644,646,647,657,658,661,662,663,664,665,666,669,673,678,679,680,681,682,684,685,689,690,691,692,693,694,696,697,698,699,701,702,703,704,705,708,709,710,711,713,759,822 +0420_00163 10,11,12,13,15,16,19,20,21,144,146,147,149,150,151,179,180,181,182,186,187,193,194,200,256,284,285,286,287,333,334,335,336,337,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,580,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,638,639,641,646,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0420_00164 10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,486,491,492,496,500,503,507,517,521,522,524,525,528,531,536,539,540,541,546,547,548,549,550,553,554,556,557,564,565,567,570,571,574,575,577,578,579,580,583,585,586,593,595,596,600,601,604,605,608,609,611,612,614,615,616,619,620,629,634,635,638,639,641,642,644,656,657,658,660,661,662,665,666,667,669,672,678,679,680,681,682,684,685,687,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,759,822 +0420_00165 10,11,12,13,15,16,19,20,21,144,149,150,179,180,181,182,185,186,188,189,193,200,256,257,258,259,260,284,285,286,287,309,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,463,465,471,473,483,491,494,496,503,507,517,521,522,524,525,531,536,538,539,540,541,546,547,549,550,553,554,556,557,565,568,570,571,574,575,577,578,579,580,582,583,585,586,593,594,595,596,598,600,601,604,605,608,609,612,614,615,618,619,620,624,629,634,635,638,639,641,642,643,646,647,656,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,682,683,684,685,687,689,690,692,693,694,695,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0420_00166 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,184,185,186,192,193,200,256,257,258,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,437,438,440,442,443,444,447,449,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,577,578,579,580,582,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,638,641,643,644,646,647,657,658,661,665,666,669,673,678,679,680,681,684,685,689,690,692,693,694,695,696,697,698,699,703,704,705,706,708,709,710,711,713,759,822 +0420_00167 10,11,12,13,15,16,19,20,21,116,117,144,149,150,151,156,157,179,180,186,187,214,216,217,256,284,285,286,287,333,334,335,336,337,341,342,345,346,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,712,713,722,736,759,777,780,785,792,798,799,801,822 +0420_00168 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,184,185,186,187,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,556,557,565,570,571,572,577,578,579,580,582,583,585,586,593,596,600,601,604,608,609,612,614,618,619,629,634,635,638,640,641,643,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,717,735,759,778,780,798,799,819,820,822 +0420_00169 10,11,12,13,15,16,19,20,21,116,119,144,147,149,150,151,179,180,181,182,186,187,193,194,200,256,258,284,285,286,287,300,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,560,565,567,570,571,574,579,580,582,583,585,586,593,595,596,600,601,604,608,609,612,613,614,615,616,619,620,629,634,635,638,639,640,641,642,643,644,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,759,778,780,798,799,801,819,820,822,827,834 diff --git a/processed_data/0420/0420_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0420/0420_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..3b0d52f97 --- /dev/null +++ b/processed_data/0420/0420_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,170 @@ +id bits.on +0420_00001 10,11,12,13,14,15,16,17,19,20,144,146,147,149,150,151,153,154,158,160,161,165,179,180,181,182,184,185,186,187,193,200,256,257,258,260,284,285,286,287,300,309,333,334,335,336,339,341,342,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,383,385,386,387,388,391,392,393,394,397,400,401,404,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,591,593,594,596,598,600,601,604,607,608,609,612,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,685,686,689,690,692,693,697,698,699,700,703,704,705,709,710,711,712,713,715,735,743,757,759,778,798,806,820,822 +0420_00002 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10,11,12,13,15,16,19,144,146,147,148,151,179,180,181,182,184,185,186,188,189,193,200,256,257,258,259,260,261,262,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,385,386,387,388,391,392,393,394,397,398,400,401,404,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,602,604,608,609,612,614,619,622,624,625,629,634,635,641,644,646,647,657,658,661,665,666,669,672,673,674,678,679,680,684,685,689,693,696,697,698,705,708,709,710,711,713,759,822 +0420_00154 10,11,12,13,15,16,19,20,21,144,145,149,150,151,179,180,181,182,186,187,188,189,193,195,196,200,207,256,258,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,406,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,496,499,503,517,521,525,536,541,542,543,545,546,547,549,550,553,554,557,565,566,568,570,571,574,575,576,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,614,615,619,620,624,627,629,631,634,635,638,639,640,641,642,652,654,656,657,658,661,663,665,666,667,669,672,673,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,697,698,699,700,701,702,703,704,705,706,709,710,711,712,713,715,736,741,759,762,778,799,804,822,825,840,843,848,862,864 +0420_00155 10,11,12,13,14,15,16,17,19,20,21,144,146,147,151,153,154,179,180,181,182,186,187,188,189,193,194,200,207,214,219,220,228,232,256,257,258,259,260,262,284,285,286,287,300,333,334,335,336,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,581,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,639,641,642,644,646,647,652,653,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,694,695,696,697,698,699,700,703,704,705,708,709,710,711,712,713,715,717,735,743,757,759,778,780,798,806,820,822 +0420_00156 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10,11,12,13,15,16,19,20,21,144,147,149,150,151,156,157,158,179,180,186,187,228,230,231,256,284,285,286,287,333,334,336,337,338,341,342,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,639,641,642,646,647,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,759,777,780,792,798,801,819,822 +0420_00159 10,11,12,13,15,16,19,20,21,144,149,150,151,156,157,179,180,186,187,228,230,231,256,284,285,286,287,333,334,335,336,337,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,629,634,635,638,639,641,642,646,647,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,695,697,698,699,700,701,705,709,710,711,712,713,759,777,780,792,798,801,819,822 +0420_00160 10,11,12,13,14,15,16,17,19,20,21,116,119,144,146,147,149,150,151,153,154,156,157,158,161,165,172,179,180,181,182,183,186,187,188,189,193,194,200,207,214,216,217,256,258,284,285,286,287,300,333,334,335,336,337,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,565,567,570,571,574,579,580,583,585,586,593,594,595,596,600,601,604,608,609,612,613,614,615,616,619,620,629,634,635,638,639,641,642,644,656,657,658,660,661,665,666,667,669,672,674,678,679,680,681,683,684,685,686,689,690,691,692,693,696,697,698,699,700,701,702,703,704,705,708,709,710,711,712,713,759,778,780,798,806,813,820,822 +0420_00161 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10,11,12,13,15,16,19,20,21,22,144,146,147,179,180,181,182,184,185,186,189,192,193,200,207,256,257,258,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,348,352,353,356,357,358,359,366,367,368,371,372,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,564,565,568,570,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,611,612,614,615,618,619,629,634,635,638,640,641,642,644,646,647,657,658,661,662,663,664,665,666,669,673,678,679,680,681,682,684,685,689,690,691,692,693,694,696,697,698,699,701,702,703,704,705,708,709,710,711,713,759,822 +0420_00163 10,11,12,13,15,16,19,20,21,144,146,147,149,150,151,179,180,181,182,186,187,193,194,200,256,284,285,286,287,333,334,335,336,337,339,341,345,346,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,441,442,444,447,450,452,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,557,565,571,579,580,581,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,638,639,641,646,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,712,713,759,777,780,798,801,813,819,822 +0420_00164 10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,486,491,492,496,500,503,507,517,521,522,524,525,528,531,536,539,540,541,546,547,548,549,550,553,554,556,557,564,565,567,570,571,574,575,577,578,579,580,583,585,586,593,595,596,600,601,604,605,608,609,611,612,614,615,616,619,620,629,634,635,638,639,641,642,644,656,657,658,660,661,662,665,666,667,669,672,678,679,680,681,682,684,685,687,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,759,822 +0420_00165 10,11,12,13,15,16,19,20,21,144,149,150,179,180,181,182,185,186,188,189,193,200,256,257,258,259,260,284,285,286,287,309,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,463,465,471,473,483,491,494,496,503,507,517,521,522,524,525,531,536,538,539,540,541,546,547,549,550,553,554,556,557,565,568,570,571,574,575,577,578,579,580,582,583,585,586,593,594,595,596,598,600,601,604,605,608,609,612,614,615,618,619,620,624,629,634,635,638,639,641,642,643,646,647,656,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,682,683,684,685,687,689,690,692,693,694,695,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0420_00166 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,184,185,186,192,193,200,256,257,258,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,437,438,440,442,443,444,447,449,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,577,578,579,580,582,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,638,641,643,644,646,647,657,658,661,665,666,669,673,678,679,680,681,684,685,689,690,692,693,694,695,696,697,698,699,703,704,705,706,708,709,710,711,713,759,822 +0420_00167 10,11,12,13,15,16,19,20,21,116,117,144,149,150,151,156,157,179,180,186,187,214,216,217,256,284,285,286,287,333,334,335,336,337,341,342,345,346,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,406,417,421,431,435,438,440,442,444,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,712,713,722,736,759,777,780,785,792,798,799,801,822 +0420_00168 10,11,12,13,15,16,19,20,144,146,147,179,180,181,182,184,185,186,187,193,200,256,257,258,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,385,386,387,388,391,392,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,517,521,524,525,528,531,536,539,540,541,546,547,550,553,556,557,565,570,571,572,577,578,579,580,582,583,585,586,593,596,600,601,604,608,609,612,614,618,619,629,634,635,638,640,641,643,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,717,735,759,778,780,798,799,819,820,822 +0420_00169 10,11,12,13,15,16,19,20,21,116,119,144,147,149,150,151,179,180,181,182,186,187,193,194,200,256,258,284,285,286,287,300,333,334,335,336,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,496,503,517,521,525,536,541,546,547,550,553,554,557,560,565,567,570,571,574,579,580,582,583,585,586,593,595,596,600,601,604,608,609,612,613,614,615,616,619,620,629,634,635,638,639,640,641,642,643,644,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,682,683,684,685,686,687,689,690,691,692,693,694,695,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,759,778,780,798,799,801,819,820,822,827,834 diff --git a/processed_data/0420/0420_gradient.tsv b/processed_data/0420/0420_gradient.tsv new file mode 100644 index 000000000..ba53af6b3 --- /dev/null +++ b/processed_data/0420/0420_gradient.tsv @@ -0,0 +1,3 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.25 95 5 +30 0.25 0 100 diff --git a/processed_data/0420/0420_info.tsv b/processed_data/0420/0420_info.tsv new file mode 100644 index 000000000..4c5792f27 --- /dev/null +++ b/processed_data/0420/0420_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0420 10.1038/s41597-019-0028-3 Submitted by Fangyuan Sun Fox Ramos, A.E., Le Pogam, P., Fox Alcover, C. et al ROASMI_60 diff --git a/processed_data/0420/0420_metadata.tsv b/processed_data/0420/0420_metadata.tsv new file mode 100644 index 000000000..28a937d38 --- /dev/null +++ b/processed_data/0420/0420_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0420 Waters SunFire C18 L1 150 2.1 3.5 25 0.25 1.323 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 0 100 0 0 diff --git a/processed_data/0420/0420_report_canonical.pdf b/processed_data/0420/0420_report_canonical.pdf new file mode 100644 index 000000000..985e5e194 Binary files /dev/null and b/processed_data/0420/0420_report_canonical.pdf differ diff --git a/processed_data/0420/0420_report_isomeric.pdf b/processed_data/0420/0420_report_isomeric.pdf new file mode 100644 index 000000000..9d61a7344 Binary files /dev/null and b/processed_data/0420/0420_report_isomeric.pdf differ diff --git a/processed_data/0420/0420_rtdata_canonical_success.tsv b/processed_data/0420/0420_rtdata_canonical_success.tsv new file mode 100644 index 000000000..058b1df7d --- /dev/null +++ b/processed_data/0420/0420_rtdata_canonical_success.tsv @@ -0,0 +1,170 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0420_00001 C35H43N5O2 8.71 CN1CCCC1C2=C(C=CC3=C2NC(=O)C34CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O2/c1-4-21-20-40-17-14-35(25-11-12-29(41)31(33(25)37-34(35)42)27-10-7-15-38(27)2)30(40)19-22(21)18-28-32-24(13-16-39(28)3)23-8-5-6-9-26(23)36-32/h4-6,8-9,11-12,21-22,27-28,30,36,41H,1,7,10,13-20H2,2-3H3,(H,37,42) AMTATQQZOONDAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00002 C18H20N2 9.26 CC=C1CN2CCC1C(=C)C3=C(C2)C4=CC=CC=C4N3 InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3 LCVACABZTLIWCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vallesaman alkaloids (CHEMONTID:0003431) NA (NA) NA (NA) NA (NA) +0420_00003 C21H26N2O2 9.59 CC=C1CN2CCC34C2CC1C(C3N(C5=CC=CC=C45)C(=O)C)CO InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3 IJTKEUDLEABZCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00004 C19H22N2O2 9.62 C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)O InChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2 UFUDXCDPABDFHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00005 C20H22N2O2 9.75 CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23) NFYYATWFXNPTRM-UHFFFAOYSA-N +0420_00006 C21H24N2O3 10.05 C1CN2CC(=CCO)C3CC2C14C5C3C(CC(=O)N5C6=CC=CC=C46)O InChI=1S/C21H24N2O3/c24-8-5-12-11-22-7-6-21-14-3-1-2-4-15(14)23-18(26)10-16(25)19(20(21)23)13(12)9-17(21)22/h1-5,13,16-17,19-20,24-25H,6-11H2 UBCAPJGELHAUQV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00007 C24H28N2O6 10.05 CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=CC(=C(C=C37)OC)OC InChI=1S/C24H28N2O6/c1-25-5-4-23-12-6-15(29-2)16(30-3)8-14(12)26-20(28)9-17-21(22(23)26)13(7-18(23)27)24(11-25)19(32-24)10-31-17/h6,8,13,17,19,21-22H,4-5,7,9-11H2,1-3H3 RYJBYRAOLAWKPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00008 C20H22N3 10.2 CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 InChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1 KXNXUEUDDUKJMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00009 C27H34N2O10 10.35 COC(=O)C12C3CC4C15C(C(CN4)OC2OC(C3C=C)OC6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N5 InChI=1S/C27H34N2O10/c1-3-11-13-8-17-27-18(12-6-4-5-7-14(12)29-27)15(9-28-17)37-25(26(13,27)24(34)35-2)39-22(11)38-23-21(33)20(32)19(31)16(10-30)36-23/h3-7,11,13,15-23,25,28-33H,1,8-10H2,2H3 WDWBIMUMOSJVDO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0420_00010 C19H26N2O 10.36 CCC1CN2CCC34C2CC1C(C3NC5=CC=CC=C45)CO InChI=1S/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3 FAQGZHFLASTWAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00011 C20H24N2O3 10.85 CC(C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3 DWLJVOJBWLYMJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00012 C20H22N3 10.88 CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 InChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1 KXNXUEUDDUKJMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00013 C21H22N2O2 11 C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2 QMGVPVSNSZLJIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00014 C20H22N2O2 11.11 CC=C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3 AGZMFTKKLPHOMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00015 C20H23N2O 11.29 CC=C1C[N+]2(CCC34C2CC1C(=C3NC5=CC=CC=C45)C=O)C InChI=1S/C20H22N2O/c1-3-13-11-22(2)9-8-20-16-6-4-5-7-17(16)21-19(20)15(12-23)14(13)10-18(20)22/h3-7,12,14,18H,8-11H2,1-2H3/p+1 ZEMNDQUOMWGCAZ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00016 C19H24N2O2 11.65 CC=C1CN2CCC3=C(C2CC1CCO)NC4=C3C=C(C=C4)O InChI=1S/C19H24N2O2/c1-2-12-11-21-7-5-15-16-10-14(23)3-4-17(16)20-19(15)18(21)9-13(12)6-8-22/h2-4,10,13,18,20,22-23H,5-9,11H2,1H3 KLYKGWYHZKEJOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00017 C19H20N2O 11.7 C=CC12CC3C(=O)NC4=CC=CC=C4C35C1N(CC5)CC=C2 InChI=1S/C19H20N2O/c1-2-18-8-5-10-21-11-9-19(17(18)21)13-6-3-4-7-15(13)20-16(22)14(19)12-18/h2-8,14,17H,1,9-12H2,(H,20,22) BEMFQIDPZLYEBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Melodinus alkaloids (CHEMONTID:0003761) NA (NA) NA (NA) NA (NA) +0420_00018 C21H26N2O4 11.85 CC1C2CN3CCC45C3(CC2C(C4N(C6=CC=CC=C56)C(=O)CO)CO1)O InChI=1S/C21H26N2O4/c1-12-14-9-22-7-6-20-16-4-2-3-5-17(16)23(18(25)10-24)19(20)15(11-27-12)13(14)8-21(20,22)26/h2-5,12-15,19,24,26H,6-11H2,1H3 PUJOYKKZYBTUSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00019 C21H26N2O3 11.9 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3 FFVRRQMGGGTQRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00020 C30H34N4O2 11.94 CN1CCC2=C(C1CC3CC4C5(CCN4CC3C=C)C6=C(C=C(C=C6)O)NC5=O)NC7=CC=CC=C27 InChI=1S/C30H34N4O2/c1-3-18-17-34-13-11-30(23-9-8-20(35)16-25(23)32-29(30)36)27(34)15-19(18)14-26-28-22(10-12-33(26)2)21-6-4-5-7-24(21)31-28/h3-9,16,18-19,26-27,31,35H,1,10-15,17H2,2H3,(H,32,36) YAXAQXBFDAJGGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00021 C22H26N2O3 12.01 CC=C1CN2C3CC1C4(C2CC5(C3N(C6=CC=CC=C65)C)C4O)C(=O)OC InChI=1S/C22H26N2O3/c1-4-12-11-24-16-9-14(12)22(20(26)27-3)17(24)10-21(19(22)25)13-7-5-6-8-15(13)23(2)18(16)21/h4-8,14,16-19,25H,9-11H2,1-3H3 DOUQNGAJTIRQPP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00022 C22H26N2O4 12.06 CC=C1CN(CCC23C4C(C1CC2=O)COC(C(=O)N4C5=CC=CC=C35)O)C InChI=1S/C22H26N2O4/c1-3-13-11-23(2)9-8-22-16-6-4-5-7-17(16)24-19(22)15(14(13)10-18(22)25)12-28-21(27)20(24)26/h3-7,14-15,19,21,27H,8-12H2,1-2H3 BLJOXWGKDCMTMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00023 C21H22N2O2 12.14 C1CN2CC(=CCO)C3CC2C14C5C3=CCC(=O)N5C6=CC=CC=C46 InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2 PNYOGGAOQVIZDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00024 C21H26N2O2 12.55 CC=C1CN2CCC34C2CC1C(C3N(C5=CC=CC=C45)C(=O)C)CO InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3 IJTKEUDLEABZCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00025 C20H26N2O2 12.55 CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3 CJDRUOGAGYHKKD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00026 C23H26N2O4 12.57 CC=C1CN2CCC34C5=CC=CC=C5N=C3C2CC1C4(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O4/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-20(22)19(25)11-17(15)23(22,21(27)28-3)13-29-14(2)26/h4-8,17,19H,9-13H2,1-3H3 QBHALCZZZWCCLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00027 C35H43N5O 12.58 CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3 PHLJPJICTIGOKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00028 C31H36N4O2 12.62 CC=C1CN(C2CC3=C(C(CC1C2C(=O)OC)C4=CC5=C(C=C4)C(=CN5)CCN)NC6=CC=CC=C36)C InChI=1S/C31H36N4O2/c1-4-18-17-35(2)28-15-25-22-7-5-6-8-26(22)34-30(25)24(14-23(18)29(28)31(36)37-3)19-9-10-21-20(11-12-32)16-33-27(21)13-19/h4-10,13,16,23-24,28-29,33-34H,11-12,14-15,17,32H2,1-3H3 ZOBHQOIVLKIBTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00029 C23H26N2O4 12.95 COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3 RRKTZKIUPZVBMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00030 C21H24N2O3 12.95 CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3 RCEFXZXHYFOPIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00031 C21H24N2O3 12.98 CCC12CC(N3C4=CC=CC=C4C5=C3C1N(CC5)CC=C2)(C(=O)OC)O InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3 BQGJXFQCMYJENQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Eburnan-type alkaloids (CHEMONTID:0002671) NA (NA) NA (NA) NA (NA) +0420_00032 C24H28N2O5 13.05 CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=CC(=C(C=C36)OC)OC)C1 InChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3 POLBLONFVZXVPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00033 C21H20N2O3 13.15 CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3 WYTGDNHDOZPMIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00034 C35H43N5O 13.16 CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3 PHLJPJICTIGOKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00035 C21H22N2O3 13.27 C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2(C61C7=CC=CC=C75)O InChI=1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2 HCCFPODVEOBUMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00036 C30H34N4O 13.33 CN1CCC2=C(C1CC3CC4C5=C(CCN4CC3C=C)C6=C(N5)C=C(C=C6)O)NC7=CC=CC=C27 InChI=1S/C30H34N4O/c1-3-18-17-34-13-11-24-22-9-8-20(35)16-26(22)32-30(24)28(34)15-19(18)14-27-29-23(10-12-33(27)2)21-6-4-5-7-25(21)31-29/h3-9,16,18-19,27-28,31-32,35H,1,10-15,17H2,2H3 DGQWMSVZRIPJMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00037 C22H24N2O4 13.39 CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=C3C=CC=C6O)C1 InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3 ZMTYENXGROJCEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00038 C22H29N2O4 13.4 CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1 AFJPGVUCVDCFPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00039 C40H49N4O5 13.4 CCC12CCC[N+]3(C1)CCC4(C3(CC2)NC5=C4C=C6CC78CC[N+]9(CC(=CC)C1CC9C7(N(C1C(=O)OC)C1=CC=CC=C81)OC6=C5)[O-])O InChI=1S/C40H49N4O5/c1-4-25-23-44(47)18-14-37-22-26-19-29-30(41-39-13-12-36(5-2)11-8-16-43(39,24-36)17-15-38(29,39)46)21-32(26)49-40(37)33(44)20-27(25)34(35(45)48-3)42(40)31-10-7-6-9-28(31)37/h4,6-7,9-10,19,21,27,33-34,41,46H,5,8,11-18,20,22-24H2,1-3H3/q+1 NWYINGBEUFKIIL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00040 C20H22N2O3 13.4 CC=C1CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34 InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3 NKTORRNHKYVXSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00041 C21H24N2O2 13.46 CC1C23CC(C14C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3 JSLDLCGKZDUQSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00042 C23H26N2O4 13.52 CC=C1CN2CCC34C5=CC=CC=C5N=C3C2CC1C4(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O4/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-20(22)19(25)11-17(15)23(22,21(27)28-3)13-29-14(2)26/h4-8,17,19H,9-13H2,1-3H3 QBHALCZZZWCCLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00043 C20H26N2O 13.57 CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3 HSIBGVUMFOSJPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00044 C30H34N4O 13.6 CN1CCC2=C(C1CC3CC4C5=C(CCN4CC3C=C)C6=C(N5)C=CC(=C6)O)NC7=CC=CC=C27 InChI=1S/C30H34N4O/c1-3-18-17-34-13-11-23-24-16-20(35)8-9-26(24)32-30(23)28(34)15-19(18)14-27-29-22(10-12-33(27)2)21-6-4-5-7-25(21)31-29/h3-9,16,18-19,27-28,31-32,35H,1,10-15,17H2,2H3 QYONROBEKPAESK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00045 C21H26N2O3 13.63 COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 BLGXFZZNTVWLAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00046 C22H24N2O3 13.64 CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=CC=CC=C36)C1 InChI=1S/C22H24N2O3/c1-23-8-7-22-15-4-2-3-5-16(15)24-19(26)11-17-20(21(22)24)14(10-18(22)25)13(12-23)6-9-27-17/h2-6,14,17,20-21H,7-12H2,1H3 RNZRHJNFQWMXHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00047 C19H24N2O 13.66 C=CC1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,13-14,18,20,22H,1,7-12H2 IILQILGCNGUUHT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00048 C20H24N2O2 13.69 COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3 LOUPRKONTZGTKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Cinchona alkaloids (CHEMONTID:0002246) NA (NA) NA (NA) NA (NA) +0420_00049 C20H24N2O2 13.7 CCC1C2CCN3C1C4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3 RLAKWLFUMAABBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00050 C21H26N2O3 13.8 COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 BLGXFZZNTVWLAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00051 C38H44N4O 13.83 CCC1CN2CCC34C2CC1C5C3N(C(OC5)C6C7CC8C9=C(CC6N8CC7=CC)C1=CC=CC=C1N9)C1=CC=CC=C41 InChI=1S/C38H44N4O/c1-3-21-18-40-14-13-38-28-10-6-8-12-30(28)42-36(38)27(24(21)17-33(38)40)20-43-37(42)34-25-15-32-35-26(23-9-5-7-11-29(23)39-35)16-31(34)41(32)19-22(25)4-2/h4-12,21,24-25,27,31-34,36-37,39H,3,13-20H2,1-2H3 CSVWQRLFFUNUND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00052 C40H47N4O5 13.83 CCC12CCC[N+]3(C1)CCC4(C3(CC2)NC5=C4C=C6C(=C5)OC78C9CC1C(N7C2=CC=CC=C2C8(C6=O)CCN9CC1=CC)C(=O)OC)O InChI=1S/C40H46N4O5/c1-4-24-22-42-16-14-37-27-9-6-7-10-30(27)43-33(35(46)48-3)25(24)20-32(42)40(37,43)49-31-21-29-28(19-26(31)34(37)45)38(47)15-18-44-17-8-11-36(5-2,23-44)12-13-39(38,44)41-29/h4,6-7,9-10,19,21,25,32-33,47H,5,8,11-18,20,22-23H2,1-3H3/p+1 CBBXXVJTZYTTBO-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00053 C19H26N2O 14.05 CCC1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34 InChI=1S/C19H26N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,13-14,18,20,22H,2,7-12H2,1H3 KBMIVGVAJKVWBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00054 C22H28N2O4 14.08 COC1=CC2=C(C=C1)C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)CN4CC3 InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3 DBCVUIBEXPYXAJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00055 C20H27N2O 14.23 C[N+]12CCC(CC1C3=C(CC2)C4=CC=CC=C4N3)C(CO)C=C InChI=1S/C20H27N2O/c1-3-14(13-23)15-8-10-22(2)11-9-17-16-6-4-5-7-18(16)21-20(17)19(22)12-15/h3-7,14-15,19,21,23H,1,8-13H2,2H3/q+1 MZLZYEQWGKCFKZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00056 C19H20N2O 14.24 CC=C1CN(C2C(=C)C1CC(=O)C3=C2C4=CC=CC=C4N3)C InChI=1S/C19H20N2O/c1-4-12-10-21(3)19-11(2)14(12)9-16(22)18-17(19)13-7-5-6-8-15(13)20-18/h4-8,14,19-20H,2,9-10H2,1,3H3 IIVNFAVESMLIIL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00057 C21H26N2O3 14.25 COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 BLGXFZZNTVWLAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00058 C22H26N2O3 14.25 CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3 IWEYXWIPVZEVPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00059 C21H24N2O3 14.26 CC=C1CN(CC2(C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C InChI=1S/C21H24N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h4-8,16,22H,9-12H2,1-3H3 NFUNVPXUVUEVKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ervatamia alkaloids (CHEMONTID:0003757) NA (NA) NA (NA) NA (NA) +0420_00060 C22H26N2O4 14.3 CC=C1CN2CCC34C5=C(C=CC(=C5)O)N(C36C2CC1C4(CO6)C(=O)OC)C InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3 YILKZADAWNUTTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00061 C19H22N2O 14.35 CC=C1CN(CC2C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C InChI=1S/C19H22N2O/c1-3-12-10-21(2)11-13-8-16-14-6-4-5-7-17(14)20-19(16)18(22)9-15(12)13/h3-7,13,15,20H,8-11H2,1-2H3 GCVROCDNUNQXAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00062 C17H16N2 14.36 CCC1=CN2CCC3=C4C=CC=CC4=NC3=C2C=C1 InChI=1S/C17H16N2/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17/h3-8,11H,2,9-10H2,1H3 DAGPUIPHACXCSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolizines (CHEMONTID:0000222) NA (NA) NA (NA) NA (NA) +0420_00063 C40H48N4O3 14.42 CCC1CN2CCC34C2CC1C5C3N(C(OC5)C(C6CC7C8=C(CCN7CC6=CC)C9=CC=CC=C9N8)C(=O)OC)C1=CC=CC=C41 InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3 ISDWYSGTYITCHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00064 C19H24N2O 14.43 CCC1CN2CCC3=C(C2CC1CC=O)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,10,13-14,18,20H,2,7-9,11-12H2,1H3 DSEOMGZLHGEUMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00065 C29H30N4 14.53 CCC1CN2CCC3=C(C2CC1CC4=NC=CC5=C4NC6=CC=CC=C56)NC7=CC=CC=C37 InChI=1S/C29H30N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-11,13,18-19,27,31-32H,2,12,14-17H2,1H3 QODPASWLKWJHBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00066 C21H24N2O4 14.62 CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(CO)C(=O)OC InChI=1S/C21H24N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,14,16-17,22,24H,8-11H2,1-2H3 MPNPJQYCBQXPGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00067 C40H48N4O3 14.66 CCC12CCCN(C1)CCC3=C(CC2)NC4=C3C=C5CC67CCN8CC(=CC)C9CC8C6(N(C9C(=O)OC)C1=CC=CC=C71)OC5=C4 InChI=1S/C40H48N4O3/c1-4-25-23-43-18-15-39-22-26-19-29-27-12-17-42-16-8-13-38(5-2,24-42)14-11-31(27)41-32(29)21-34(26)47-40(39)35(43)20-28(25)36(37(45)46-3)44(40)33-10-7-6-9-30(33)39/h4,6-7,9-10,19,21,28,35-36,41H,5,8,11-18,20,22-24H2,1-3H3 FXNSZAOKKBWFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00068 C19H20N2O 14.71 CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)C=O InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3 MHASSCPGKAMILD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00069 C21H26N2O3 14.73 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3 FFVRRQMGGGTQRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00070 C30H36N4 14.74 CCC1CN2CCC3=C(C2CC1CC4C5=C(CCN4C)C6=CC=CC=C6N5)NC7=CC=CC=C37 InChI=1S/C30H36N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h4-11,19-20,27-28,31-32H,3,12-18H2,1-2H3 QMPMOSMXZGIBBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00071 C30H34N4 14.8 CN1CCC2=C(C1CC3CC4C5=C(CCN4CC3C=C)C6=CC=CC=C6N5)NC7=CC=CC=C27 InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3 JICXOAIUPFUZPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00072 C20H25N2O 14.82 CC=C1C[N+]2(CCC3=C4C2CC1C(N4C5=CC=CC=C35)CO)C InChI=1S/C20H25N2O/c1-3-13-11-22(2)9-8-15-14-6-4-5-7-17(14)21-18(12-23)16(13)10-19(22)20(15)21/h3-7,16,18-19,23H,8-12H2,1-2H3/q+1 HFLUPWJGJPYITM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00073 C21H24N2O3 14.82 CCC1(CC23C1N4CCC5(C4C2)C6=CC=CC=C6NC5=C3C(=O)OC)O InChI=1S/C21H24N2O3/c1-3-20(25)11-19-10-14-21(8-9-23(14)18(19)20)12-6-4-5-7-13(12)22-16(21)15(19)17(24)26-2/h4-7,14,18,22,25H,3,8-11H2,1-2H3 RWIBVEZSMNDHAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00074 C20H26N2O2 14.9 CC(C1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)O InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3 QLSITYRYHBQHBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00075 C21H24N2O3 14.91 CC=C1CN2C3CC1C4(C2CC5(C3NC6=CC=CC=C65)C4O)C(=O)OC InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3 RLUORQGMBKDXPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00076 C21H26N2O3 14.99 CCC1CN(CC2(C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3 METLQVFFFUYXNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ervatamia alkaloids (CHEMONTID:0003757) NA (NA) NA (NA) NA (NA) +0420_00077 C40H46N4O2 15.01 CC=C1CN2CCC34CN5C6=C(C=CC=C6C37C2CC1C(N7C8=CC=CC=C48)C(=O)OC)C91C52CCC3(C2C)C9N(CCC3)CC1 InChI=1S/C40H46N4O2/c1-4-25-22-42-19-16-37-23-43-33-28(38-17-20-41-18-8-13-36(35(38)41)14-15-39(38,43)24(36)2)10-7-11-29(33)40(37)31(42)21-26(25)32(34(45)46-3)44(40)30-12-6-5-9-27(30)37/h4-7,9-12,24,26,31-32,35H,8,13-23H2,1-3H3 NHYWHOQGRJLYBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00078 C19H26N2 15.05 CCC12CCCN(C1)CCC3=C(CC2)NC4=CC=CC=C34 InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3 FDNDLNFGITWTOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Quebrachamine alkaloids (CHEMONTID:0002757) NA (NA) NA (NA) NA (NA) +0420_00079 C22H26N2O3 15.06 CN1C2=CC=CC=C2C34C15CCC6(C3N(CCC6)C(=O)C4)CC5C(=O)OC InChI=1S/C22H26N2O3/c1-23-16-7-4-3-6-14(16)21-13-17(25)24-11-5-8-20(19(21)24)9-10-22(21,23)15(12-20)18(26)27-2/h3-4,6-7,15,19H,5,8-13H2,1-2H3 MZNKKVMOBDPECG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00080 C43H54N4O6 15.07 CCC1CC2CC3(C1N(C2O)CCC4=C3NC5=C4C=CC(=C5C6CC7C(CN(C(C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)[C-]=[O+]OC InChI=1S/C43H54N4O6/c1-7-23-17-25-20-43(22-53-52-6)39-28(15-16-47(40(23)43)41(25)48)27-13-14-34(50-4)36(38(27)45-39)31-18-29-24(8-2)21-46(3)33(35(29)42(49)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h9-14,23-25,29,31,33,35,40-41,44-45,48H,7-8,15-21H2,1-6H3 RSGGBTKQVAPKCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00081 C21H26N2O3 15.2 COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 BLGXFZZNTVWLAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00082 C38H39N4O 15.2 CC=C1CN2CCC34C2CC1C5C3N(C=C(C5O)C6CC7=[N+](CC6=CC)C=CC8=C7NC9=CC=CC=C89)C1=CC=CC=C41 InChI=1S/C38H38N4O/c1-3-22-19-40-15-13-25-24-9-5-7-11-30(24)39-35(25)32(40)17-26(22)28-21-42-31-12-8-6-10-29(31)38-14-16-41-20-23(4-2)27(18-33(38)41)34(36(28)43)37(38)42/h3-13,15,21,26-27,33-34,36-37,43H,14,16-20H2,1-2H3/p+1 INVOSXVUPRCXKV-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00083 C40H48N4O2 15.28 CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3 MTARGWPMLJBYNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00084 C42H42N4O2 15.32 CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1C8N(C(=O)C=C1)C1=CC=CC=C91 InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-14,17,25-28,34-36,38-39H,15-16,18-22H2,1-2H3 VCDMHIARBYKHSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00085 C21H24N2O3 15.32 CC=C1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3 TYPMTMPLTVSOBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00086 C19H24N2 15.34 CCC1CC2CC3C1N(C2)CCC4=C3NC5=CC=CC=C45 InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3 LRLCVRYKAFDXKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00087 C42H42N4O3 15.35 CC=C1CN2C3CC1C4=CCC(=O)N5C4C3(CC2C6=CC7C8CC9C1(C7N(C6=O)C2=CC=CC=C21)CCN9CC8=CCO)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-23-22-44-34(20-42-31-8-4-5-9-32(31)45-37(48)12-11-25(38(42)45)26(23)19-36(42)44)29-17-28-27-18-35-41(14-15-43(35)21-24(27)13-16-47)30-7-3-6-10-33(30)46(39(28)41)40(29)49/h2-11,13,17,26-28,34-36,38-39,47H,12,14-16,18-22H2,1H3 WGKQKBZVYLWPHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00088 C20H22N2O3 15.35 CC=C1C2CC[N+]3(C1C4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC)[O-] InChI=1S/C20H22N2O3/c1-3-12-13-8-10-22(24)11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)25-2/h3-7,13,18,21H,8-11H2,1-2H3 VSVUYWHJSOBUDT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00089 C30H31N4 15.48 CC=C1C[N+]2(CCC3=C(C2CC1CC4=NC=CC5=C4NC6=CC=CC=C56)NC7=CC=CC=C37)C InChI=1S/C30H31N4/c1-3-19-18-34(2)15-13-24-22-9-5-7-11-26(22)33-30(24)28(34)17-20(19)16-27-29-23(12-14-31-27)21-8-4-6-10-25(21)32-29/h3-12,14,20,28,32-33H,13,15-18H2,1-2H3/q+1 QCLXHLAQWSKUQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00090 C42H42N4O3 15.55 CC=C1CN2C3CC1C4=CCC(=O)N5C4C3(CC2C6C7C8C9CC1C2(C8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-11,13,25-26,31-33,35-39H,12,14-21H2,1H3 PXWJNFJRUYWQOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00091 C20H22N2O2 15.64 CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=CC=CC=C45)C(=O)[O-])C InChI=1S/C20H22N2O2/c1-3-11-10-22(2)16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)24/h3-7,13,16-18,21H,8-10H2,1-2H3 JCECAVUEIWGKAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00092 C23H28N2O6 15.75 CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC(=C(C=C5NC4=O)OC)OC InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27) QIZNWMMOECVGAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0420_00093 C32H36N2O8 15.76 CC=C1CN2C3CC1C4(C2CC5(C3N(C6=C5C=C(C=C6)O)C)C4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC InChI=1S/C32H36N2O8/c1-7-16-15-34-22-13-19(16)32(30(37)41-6)25(34)14-31(20-12-18(35)8-9-21(20)33(2)27(22)31)29(32)42-28(36)17-10-23(38-3)26(40-5)24(11-17)39-4/h7-12,19,22,25,27,29,35H,13-15H2,1-6H3 QZYBQHBBKYUFTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00094 C40H45N4O3 15.81 CCC1CN2CCC34C2CC1C5C3N(C(OC5)C(C6CC7=[N+](CC6=CC)C=CC8=C7NC9=CC=CC=C89)C(=O)OC)C1=CC=CC=C41 InChI=1S/C40H44N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-14,16,23,27-29,34-35,37-38H,4,15,17-22H2,1-3H3/p+1 NTYUVNILMFXXRA-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00095 C20H26N2O2 15.89 CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3 CJDRUOGAGYHKKD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00096 C20H26N2O2 15.95 CC1C2CN(CCC34C(C(C2CC3=O)CO1)NC5=CC=CC=C45)C InChI=1S/C20H26N2O2/c1-12-14-10-22(2)8-7-20-16-5-3-4-6-17(16)21-19(20)15(11-24-12)13(14)9-18(20)23/h3-6,12-15,19,21H,7-11H2,1-2H3 WJNDCLTZZJQWQW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00097 C40H46N4O4 15.99 CCC12CCC34C1N(CCC3C5=C(N4)C=CC(=C5)C6C7C(O7)C8(CC(=C9C1(C8N6CC1)C1=CC=CC=C1N9)C(=O)OC)CC)CC1C2O1 InChI=1S/C40H46N4O4/c1-4-37-13-14-40-24(12-16-43(36(37)40)20-28-32(37)47-28)22-18-21(10-11-26(22)42-40)29-30-33(48-30)38(5-2)19-23(34(45)46-3)31-39(15-17-44(29)35(38)39)25-8-6-7-9-27(25)41-31/h6-11,18,24,28-30,32-33,35-36,41-42H,4-5,12-17,19-20H2,1-3H3 IMSLQOWUUQQNOC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00098 C23H28N2O4 16 CC=C1CN(CCC23C4C(C1CC2=O)COC(C(=O)N4C5=CC=CC=C35)OC)C InChI=1S/C23H28N2O4/c1-4-14-12-24(2)10-9-23-17-7-5-6-8-18(17)25-20(23)16(15(14)11-19(23)26)13-29-22(28-3)21(25)27/h4-8,15-16,20,22H,9-13H2,1-3H3 MHRUSPYZNNVVHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00099 C42H42N4O2 16.03 CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1=CCC(=O)N(C18)C1=CC=CC=C91 InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-13,17,26-28,34-36,38-39H,14-16,18-22H2,1-2H3 YUHHQTGJEOQYDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00100 C20H24N2O2 16.07 CC=C(C=O)C1CC2C3=C(CCN2C)C4=CC=CC=C4N3C(C1)O InChI=1S/C20H24N2O2/c1-3-13(12-23)14-10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(20)19(24)11-14/h3-7,12,14,18-19,24H,8-11H2,1-2H3 LGSDYQBPJKYJCT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00101 C21H24N2O2 16.11 CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3 CMKFQVZJOWHHDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00102 C23H30N2O5 16.12 COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)O InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3 MDJQWFFIUHUJSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00103 C20H22N2O2 16.17 CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C20H22N2O2/c1-3-11-10-22-16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)24-2/h3-7,13,16-18,21H,8-10H2,1-2H3 VXRAIAAMNNTQES-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00104 C38H44N4 16.27 CCC1CC2CC3(CC4=C5C6(CCN7C6CC4C(C7)CC)C8=CC=CC=C8N5C3)C9=NC3=CC=CC=C3C93C2N1CC3 InChI=1S/C38H44N4/c1-3-23-21-40-15-13-37-29-10-6-8-12-31(29)42-22-36(20-27(34(37)42)26(23)18-32(37)40)19-24-17-25(4-2)41-16-14-38(33(24)41)28-9-5-7-11-30(28)39-35(36)38/h5-12,23-26,32-33H,3-4,13-22H2,1-2H3 BPPDUZFXSHMETQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00105 C20H26N2O4 16.28 CCC1C2CC3C4(CC(C2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3 RIHQHYIWKHVLRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Gelsemium alkaloids (CHEMONTID:0003758) NA (NA) NA (NA) NA (NA) +0420_00106 C43H54N4O6 16.28 CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)C6(CC7C(CN(C(C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)O)OC)C(=O)OC InChI=1S/C43H54N4O6/c1-7-24-15-23-19-42(41(49)53-6)37-27(13-14-47(21-23)39(24)42)28-16-31(35(51-4)18-33(28)45-37)43(50)20-30-25(8-2)22-46(3)34(36(30)40(48)52-5)17-29-26-11-9-10-12-32(26)44-38(29)43/h9-12,16,18,23-25,30,34,36,39,44-45,50H,7-8,13-15,17,19-22H2,1-6H3 WSXQQVWDFOHOIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00107 C23H30N2O4 16.3 CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC)C(=O)OC InChI=1S/C23H30N2O4/c1-5-14-8-13-11-23(22(26)29-4)20-15(6-7-25(12-13)21(14)23)16-9-18(27-2)19(28-3)10-17(16)24-20/h9-10,13-14,21,24H,5-8,11-12H2,1-4H3 DUFLXLVGASPEMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00108 C22H26N2O3 16.3 CC=C1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)N(C4=CC=CC=C34)C)C InChI=1S/C22H26N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h5-9,15,18,20H,10-12H2,1-4H3 MGXLBYVOYDYHHV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00109 C42H42N4O3 16.33 CC=C1CN2C3CC1C4C=CC(=O)N5C4C3(CC2C6C7C8C9CC1C2(C8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-13,24-26,31-33,35-39H,14-21H2,1H3 LYRBFJCNZKRZPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00110 C22H28N2O4 16.43 CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26) DAXYUDFNWXHGBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0420_00111 C21H24N2O4 16.49 CC=C1CN2CCC3(C4=CC=CC=C4N5C3(C2CC1C(=C5)C(=O)OC)O)O InChI=1S/C21H24N2O4/c1-3-13-11-22-9-8-20(25)16-6-4-5-7-17(16)23-12-15(19(24)27-2)14(13)10-18(22)21(20,23)26/h3-7,12,14,18,25-26H,8-11H2,1-2H3 ABALGCGSAUWIRD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00112 C21H30N2O3 16.6 CCC1CN2CCC3=C(C2CC1CCO)NC4=CC(=C(C=C34)OC)OC InChI=1S/C21H30N2O3/c1-4-13-12-23-7-5-15-16-10-19(25-2)20(26-3)11-17(16)22-21(15)18(23)9-14(13)6-8-24/h10-11,13-14,18,22,24H,4-9,12H2,1-3H3 CMGYMWAXDJQKLJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00113 C29H34N4 16.62 CCC1CN2CCC3=C(C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)NC7=CC=CC=C37 InChI=1S/C29H34N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-10,18-19,26-27,30-32H,2,11-17H2,1H3 BYHWAEAVIGYEBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00114 C29H28N4O 16.64 CC=C1CN2CCC3=C(C2CC1CC4=NC=CC5=C4NC6=C5C=C(C=C6)O)NC7=CC=CC=C37 InChI=1S/C29H28N4O/c1-2-17-16-33-12-10-22-20-5-3-4-6-24(20)32-29(22)27(33)14-18(17)13-26-28-21(9-11-30-26)23-15-19(34)7-8-25(23)31-28/h2-9,11,15,18,27,31-32,34H,10,12-14,16H2,1H3 UXVNNVWPICKMTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00115 C19H24N2O 16.68 C=CC1CN2CCC1CC2C3=C(C4=CC=CC=C4N3)CCO InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2 YAUKSCGKZYUZRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00116 C22H26N2O3 16.7 COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3 TZUGIFAYWNNSAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00117 C42H46N4O6 16.7 CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C(=C5)C6C=CC7(CC(=C8C9(C7N6CC9)C1=C(N8)C(=CC=C1)O)C(=O)OC)CC)O)C(=O)OC InChI=1S/C42H46N4O6/c1-5-39-12-8-16-45-17-14-42(37(39)45)27-19-23(31(48)20-28(27)43-33(42)24(21-39)35(49)51-3)29-11-13-40(6-2)22-25(36(50)52-4)34-41(15-18-46(29)38(40)41)26-9-7-10-30(47)32(26)44-34/h7-13,19-20,29,37-38,43-44,47-48H,5-6,14-18,21-22H2,1-4H3 GLWALLILRDRCHZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Plumeran-type alkaloids (CHEMONTID:0002672) NA (NA) NA (NA) NA (NA) +0420_00118 C19H21N2O 16.74 CC=C1C[N+]2=C(CC1CCO)C3=C(C=C2)C4=CC=CC=C4N3 InChI=1S/C19H20N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-7,9,14,22H,8,10-12H2,1H3/p+1 ICJZOHPEKMAUGQ-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00119 C21H24N2O4 16.74 CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(CO)C(=O)OC InChI=1S/C21H24N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,14,16-17,22,24H,8-11H2,1-2H3 MPNPJQYCBQXPGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00120 C22H24N2O3 16.76 COC1=CC2=C(C=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5 InChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3 CAPUGADOGHKUQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00121 C22H28N2O3 16.76 CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3 MMAYTCMMKJYIAM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00122 C22H28N2O3 16.78 CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3 NMLUOJBSAYAYEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00123 C21H26N2O2 16.85 CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3 NVVDQMVGALBDGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00124 C44H54N4O6 16.9 CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N(C5=C4C=C(C(=C5)C6=CC7=C(C=C6OC)N(C8C79CCN1C8CC(C9C(=O)OC)C(=CC)C1)C)OC)C InChI=1S/C44H54N4O6/c1-9-24-22-47-15-13-42-30-17-28(36(52-6)21-32(30)45(3)39(42)34(47)18-27(24)37(42)40(49)53-7)29-19-33-31(20-35(29)51-5)43-14-16-48-23-25(10-2)26(38(43)41(50)54-8)11-12-44(43,48)46(33)4/h9-10,17,19-21,26-27,34,37-39H,11-16,18,22-23H2,1-8H3 CVXODHBTCATAHB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00125 C27H34N2O9 16.96 COC(=O)C1=COC(C(C1CC2C3=C(CCN2)C4=CC=CC=C4N3)C=C)OC5C(C(C(C(O5)CO)O)O)O InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3 XBAMJZTXGWPTRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0420_00126 C23H28N2O5 17.02 CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3 FGWJRZQNNZVCHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00127 C23H28N2O5 17.16 COC(=O)C1CC23CCC[N+]4(C2C5(C1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4)[O-] InChI=1S/C23H28N2O5/c1-29-18(26)16-14-21-8-5-12-25(28)13-11-22(19(21)25)15-6-3-4-7-17(15)24(20(27)30-2)23(16,22)10-9-21/h3-4,6-7,16,19H,5,8-14H2,1-2H3 LUMKFAALHXMJDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00128 C22H28N2O2 17.23 CN1C2=CC=CC=C2C34C15CCC6(C3N(CCC6)CC4)CC5C(=O)OC InChI=1S/C22H28N2O2/c1-23-17-7-4-3-6-15(17)21-11-13-24-12-5-8-20(19(21)24)9-10-22(21,23)16(14-20)18(25)26-2/h3-4,6-7,16,19H,5,8-14H2,1-2H3 RRVQWUQWPISZCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00129 C23H26N2O5 17.32 CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O5/c1-4-14-11-25-18-9-16(14)21(20(27)28-3,12-29-13(2)26)22-10-19(25)30-23(18,22)24-17-8-6-5-7-15(17)22/h4-8,16,18-19,24H,9-12H2,1-3H3 DXTJMQCRVFWNBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00130 C41H48N4O4 17.38 CC=C1CN2CCC34CC5C6CC7C8=C(CC(C6COC5(OC39C2CC1C(N9C1=CC=CC=C41)C(=O)OC)C)N7C)C1=CC=CC=C1N8C InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3 XXNYZYBYNFRERU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00131 C20H22N2O2 17.46 CC=C1CN2CCC3=C4C2CC1C(N4C5=CC=CC=C35)C(=O)OC InChI=1S/C20H22N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,15,17,19H,8-11H2,1-2H3 NTMOAQDHNZYZMZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00132 C19H26N2O 17.49 CCC12CCCNC1N3C(=C(C4=CC=CC=C43)CCO)CC2 InChI=1S/C19H26N2O/c1-2-19-10-5-12-20-18(19)21-16-7-4-3-6-14(16)15(9-13-22)17(21)8-11-19/h3-4,6-7,18,20,22H,2,5,8-13H2,1H3 CGWKMDYVWRDDRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) NA (NA) NA (NA) +0420_00133 C43H52N4O5 17.52 CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C(=O)OC InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3 VCMIRXRRQJNZJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00134 C21H24N2O3 17.54 CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 GRTOGORTSDXSFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00135 C34H38N2O7 17.77 CC=C1CN2C3CC1C4(C2CC5(C3N(C6=CC=CC=C65)C)C4OC(=O)C=CC7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC InChI=1S/C34H38N2O7/c1-7-20-18-36-24-16-22(20)34(32(38)42-6)27(36)17-33(21-10-8-9-11-23(21)35(2)30(24)33)31(34)43-28(37)13-12-19-14-25(39-3)29(41-5)26(15-19)40-4/h7-15,22,24,27,30-31H,16-18H2,1-6H3 MMWULTFKKMQANL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00136 C43H52N4O4 17.96 CN1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)NC56C47CCN8C7C(CCC8)(CC5)CC6C(=O)O)C92C11CCC3(C9N(CCC3)CC2)CC1C(=O)OC InChI=1S/C43H52N4O4/c1-45-33-8-6-27(23-29(33)41-16-20-47-18-4-10-39(37(41)47)12-14-43(41,45)31(25-39)35(50)51-2)21-26-5-7-32-28(22-26)40-15-19-46-17-3-9-38(36(40)46)11-13-42(40,44-32)30(24-38)34(48)49/h5-8,22-23,30-31,36-37,44H,3-4,9-21,24-25H2,1-2H3,(H,48,49) STYFAKVWGOAWSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00137 C19H22N2O3 18.12 CCC12CCCN3C1(C(=CC3=O)C4=CC=CC=C4NC(=O)CC2)O InChI=1S/C19H22N2O3/c1-2-18-9-5-11-21-17(23)12-14(19(18,21)24)13-6-3-4-7-15(13)20-16(22)8-10-18/h3-4,6-7,12,24H,2,5,8-11H2,1H3,(H,20,22) OXDBJKLQCGAPQX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Rhazinilam alkaloids (CHEMONTID:0002758) NA (NA) NA (NA) NA (NA) +0420_00138 C21H24N2O3 18.14 CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 GRTOGORTSDXSFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00139 C42H45N4O5 18.2 CC=C1CN2CCC3=C(C2CC1C(CC4=CN5CC6C(OC=C(C6CC5=C7C4=C8C=CC=CC8=N7)C(=O)OC)C)C(=O)OC)[NH2+]C9=CC=CC=C39 InChI=1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/p+1 QWAUBSSAJRGKPX-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00140 C21H24N2O2 18.23 CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3 FNGGIPWAZSFKCN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Plumeran-type alkaloids (CHEMONTID:0002672) NA (NA) NA (NA) NA (NA) +0420_00141 C20H15N3O 18.29 C=CC1=CN=CC2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 InChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2 FACXQEOSOVJIPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00142 C21H24N2O3 18.31 CC=C1CN2CCC3=C(C2CC1C(C=O)C(=O)OC)NC4=CC=CC=C34 InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3 AUOFTPXWUVYOOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00143 C19H24N2O 18.5 C=CC(CO)C1CCN2CCC3=C(C2C1)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2 RYMNVEAAYOFGCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00144 C46H58N4O9 18.62 CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3 JXLYSJRDGCGARV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vinca alkaloids (CHEMONTID:0002756) NA (NA) NA (NA) NA (NA) +0420_00145 C20H26N2O 18.63 CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3 UCIDWKVIQZIKEK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00146 C41H50N4O2 18.73 CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)N(C89C71CCN2C1C(CCC2)(CC8)CC9C(=O)OC)C InChI=1S/C41H50N4O2/c1-4-38-14-7-19-43-21-13-28-27-9-5-6-10-31(27)45(34(28)35(38)43)33(25-38)26-11-12-32-29(23-26)40-18-22-44-20-8-15-39(37(40)44)16-17-41(40,42(32)2)30(24-39)36(46)47-3/h5-6,9-12,23,30,33,35,37H,4,7-8,13-22,24-25H2,1-3H3 VBJBARRYPHVIMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00147 C19H24N2 19.49 C1CC23CCC4(CC2)C5(C3N(C1)CC5)C6=CC=CC=C6N4 InChI=1S/C19H24N2/c1-2-5-15-14(4-1)19-11-13-21-12-3-6-17(16(19)21)7-9-18(19,20-15)10-8-17/h1-2,4-5,16,20H,3,6-13H2 BIBZWCCWSCCFBB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00148 C45H56N4O4 19.52 CN1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)N(C56C47CCN8C7C(CCC8)(CC5)CC6C(=O)OC)C)C92C11CCC3(C9N(CCC3)CC2)CC1C(=O)OC InChI=1S/C45H56N4O4/c1-46-34-9-7-28(24-30(34)42-17-21-48-19-5-11-40(38(42)48)13-15-44(42,46)32(26-40)36(50)52-3)23-29-8-10-35-31(25-29)43-18-22-49-20-6-12-41(39(43)49)14-16-45(43,47(35)2)33(27-41)37(51)53-4/h7-10,24-25,32-33,38-39H,5-6,11-23,26-27H2,1-4H3 RJJDPKDKAKXJTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00149 C27H26N2O6 19.64 CC=C1CN2CCC34C5=C(C(=C(C=C5)O)O)C(=O)OC36C2CC1C(N6C7=CC=CC=C47)C(=O)OC InChI=1S/C27H26N2O6/c1-3-14-13-28-11-10-26-16-6-4-5-7-18(16)29-22(25(33)34-2)15(14)12-20(28)27(26,29)35-24(32)21-17(26)8-9-19(30)23(21)31/h3-9,15,20,22,30-31H,10-13H2,1-2H3 AQFWYTNPVDQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00150 C21H26N2O3 19.99 CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3 RXPRRQLKFXBCSJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Eburnan-type alkaloids (CHEMONTID:0002671) NA (NA) NA (NA) NA (NA) +0420_00151 C17H14N2 21.48 CC1=C2C=CNC(=C2C=C3C1=NC4=CC=CC=C43)C InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,18H,1-2H3 WBGUTGOSUBJTJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00152 C33H40N2O9 21.85 COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3 QEVHRUUCFGRFIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00153 C20H13N3O 22.14 C1CN2C(=C3C=CC4=CN=CC(=C43)C2=O)C5=C1C6=CC=CC=C6N5 InChI=1S/C20H13N3O/c24-20-15-10-21-9-11-5-6-14(17(11)15)19-18-13(7-8-23(19)20)12-3-1-2-4-16(12)22-18/h1-6,9-10,22H,7-8H2 OLOYVFQOIBGLFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00154 C30H34N2O5 22.61 CC=C1CN2C3CC1C4C2CC5(C3N(C6=CC=CC=C65)C)C4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC InChI=1S/C30H34N2O5/c1-6-16-15-32-21-13-18(16)25-22(32)14-30(19-9-7-8-10-20(19)31(2)27(21)30)28(25)37-29(33)17-11-23(34-3)26(36-5)24(12-17)35-4/h6-12,18,21-22,25,27-28H,13-15H2,1-5H3 JHWXXJLDNKFDNH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00155 C43H52N4O6 22.61 CCC1CC2CC3(C1N(C2=O)CCC4=C3NC5=CC(=C(C=C45)C6CC7C(CN(C(C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)C(=O)OC InChI=1S/C43H52N4O6/c1-7-22-15-24-20-43(42(50)53-6)38-26(13-14-47(39(22)43)40(24)48)28-17-29(35(51-4)19-33(28)45-38)30-16-27-23(8-2)21-46(3)34(36(27)41(49)52-5)18-31-25-11-9-10-12-32(25)44-37(30)31/h9-12,17,19,22-24,27,30,34,36,39,44-45H,7-8,13-16,18,20-21H2,1-6H3 GCFJFNCWQHDGOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00156 C20H18N2O5 23.22 CCC1=C(C(OC1=O)(C2=NC=CC3=C2NC4=CC=CC=C34)O)CC(=O)OC InChI=1S/C20H18N2O5/c1-3-11-14(10-16(23)26-2)20(25,27-19(11)24)18-17-13(8-9-21-18)12-6-4-5-7-15(12)22-17/h4-9,22,25H,3,10H2,1-2H3 RBLMMGLQKIXPQH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00157 C43H50N4O6 23.26 COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)CN9CCC12C9C3(C4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3 IIMPGJMHQMBXKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00158 C21H20N2O5 24.09 COC(=O)N1C2=CC=CC=C2C34C15CCC6(CC5C(=O)O3)C=CC(=O)N6CC4 InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3 STACHDUHGOCYFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) Indolecarboxylic acids (CHEMONTID:0002406) NA (NA) +0420_00159 C24H26N2O7 25.06 COC(=O)C1CC23CCC14C(CCN2C(=O)C=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3 VOHFPFMHDXIAOK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) Indolecarboxylic acids (CHEMONTID:0002406) NA (NA) +0420_00160 C40H44N4O4 25.8 CCC12CC3C4C5(CC67N4CCC8(C6N9C3(O5)C3(C1N(CC3)CC1C2O1)C1=CC=CC=C19)C1=CC=CC=C1NC8=C(C7)C(=O)OC)CC InChI=1S/C40H44N4O4/c1-4-35-19-25-30-37(5-2)21-36-18-22(32(45)46-3)29-38(14-17-43(30)36,23-10-6-8-12-26(23)41-29)34(36)44-27-13-9-7-11-24(27)39(40(25,44)48-37)15-16-42(33(35)39)20-28-31(35)47-28/h6-13,25,28,30-31,33-34,41H,4-5,14-21H2,1-3H3 FQDMJZBDZWLYDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00161 C26H30N2O8 26.66 C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4 InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2 LBRPLJCNRZUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00162 C26H30N2O8 26.86 C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4 InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2 LBRPLJCNRZUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00163 C23H28N2O4 26.94 COC(=O)C1CC23CCCN4C2C5(C1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4 InChI=1S/C23H28N2O4/c1-28-18(26)16-14-21-8-5-12-24-13-11-22(19(21)24)15-6-3-4-7-17(15)25(20(27)29-2)23(16,22)10-9-21/h3-4,6-7,16,19H,5,8-14H2,1-2H3 SQVLFJQJOPEBAA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00164 C21H20N2O5 26.97 CCC1=C(C(OC1=O)(C2=NC=CC3=C2NC4=CC=CC=C34)OC)CC(=O)OC InChI=1S/C21H20N2O5/c1-4-12-15(11-17(24)26-2)21(27-3,28-20(12)25)19-18-14(9-10-22-19)13-7-5-6-8-16(13)23-18/h5-10,23H,4,11H2,1-3H3 SHQQHQZXMPJGOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00165 C20H16N2O4 27.21 CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3 VSJKWCGYPAHWDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Camptothecins (CHEMONTID:0000240) NA (NA) NA (NA) NA (NA) +0420_00166 C20H20N2O3 27.33 CC1C(C2CC3C4=C(CCN3C(=O)C2=CO1)C5=CC=CC=C5N4)C=O InChI=1S/C20H20N2O3/c1-11-15(9-23)14-8-18-19-13(12-4-2-3-5-17(12)21-19)6-7-22(18)20(24)16(14)10-25-11/h2-5,9-11,14-15,18,21H,6-8H2,1H3 KCMWOWTUEWHAMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00167 C21H22N2O4 28.08 COC1=CC2=C(C=C1)N(C34C25C3CC6(CC4)C=CC(=O)N6CC5)C(=O)OC InChI=1S/C21H22N2O4/c1-26-13-3-4-15-14(11-13)20-9-10-22-17(24)5-6-19(22)7-8-21(20,16(20)12-19)23(15)18(25)27-2/h3-6,11,16H,7-10,12H2,1-2H3 KLGUGGCHIYKHRC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0420_00168 C22H28N2O3 28.84 CC1=CC2=C(C=C1)NC3=C2CCN4C3CC5C(C4)CCC(C5C(=O)OC)O InChI=1S/C22H28N2O3/c1-12-3-5-17-16(9-12)14-7-8-24-11-13-4-6-19(25)20(22(26)27-2)15(13)10-18(24)21(14)23-17/h3,5,9,13,15,18-20,23,25H,4,6-8,10-11H2,1-2H3 GELZMWSFAYTMRI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00169 C31H32N2O7 29.88 CC1C2(O1)CN(C3CC2C(C45C3(NC6=CC=CC=C64)OC(=O)C5)(COC(=O)C=CC7=CC=CC=C7)C(=O)OC)C InChI=1S/C31H32N2O7/c1-19-29(39-19)17-33(2)24-15-23(29)28(27(36)37-3,18-38-25(34)14-13-20-9-5-4-6-10-20)30-16-26(35)40-31(24,30)32-22-12-8-7-11-21(22)30/h4-14,19,23-24,32H,15-18H2,1-3H3 XWJQTVCPYQVRPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) diff --git a/processed_data/0420/0420_rtdata_isomeric_success.tsv b/processed_data/0420/0420_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..0dc1be7ad --- /dev/null +++ b/processed_data/0420/0420_rtdata_isomeric_success.tsv @@ -0,0 +1,170 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0420_00001 C35H43N5O2 8.71 CN1CCC[C@@H]1C2=C(C=CC3=C2NC(=O)C34CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O2/c1-4-21-20-40-17-14-35(25-11-12-29(41)31(33(25)37-34(35)42)27-10-7-15-38(27)2)30(40)19-22(21)18-28-32-24(13-16-39(28)3)23-8-5-6-9-26(23)36-32/h4-6,8-9,11-12,21-22,27-28,30,36,41H,1,7,10,13-20H2,2-3H3,(H,37,42)/t21-,22-,27+,28-,30-,35?/m0/s1 AMTATQQZOONDAP-LUGSFZSZSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00002 C18H20N2 9.26 CC=C1CN2CC[C@@H]1C(=C)C3=C(C2)C4=CC=CC=C4N3 InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/t14-/m1/s1 LCVACABZTLIWCE-CQSZACIVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vallesaman alkaloids (CHEMONTID:0003431) NA (NA) NA (NA) NA (NA) +0420_00003 C21H26N2O2 9.59 CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)CO InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/t15-,16-,19-,20-,21?/m0/s1 IJTKEUDLEABZCZ-DMNBKKMASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00004 C19H22N2O2 9.62 C1CN2CC3=CCO[C@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=CC=CC=C56)O InChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2/t12-,15-,16+,17-,18+,19+/m0/s1 UFUDXCDPABDFHK-SRCYXDNASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00005 C20H22N2O2 9.75 CN1C[C@@]2([C@@H]3[C@H]1[C@@H]4C2C[C@H]([C@@]35C6=CC=CC=C6NC5=O)OC4)C=C InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13?,15+,16+,17-,19-,20-/m0/s1 NFYYATWFXNPTRM-ICFOCEFXSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Gelsemium alkaloids (CHEMONTID:0003758) NA (NA) NA (NA) NA (NA) +0420_00006 C21H24N2O3 10.05 C1CN2CC(=CCO)[C@@H]3C[C@H]2[C@@]14[C@@H]5[C@@H]3[C@@H](CC(=O)N5C6=CC=CC=C46)O InChI=1S/C21H24N2O3/c24-8-5-12-11-22-7-6-21-14-3-1-2-4-15(14)23-18(26)10-16(25)19(20(21)23)13(12)9-17(21)22/h1-5,13,16-17,19-20,24-25H,6-11H2/t13-,16+,17-,19-,20-,21+/m0/s1 UBCAPJGELHAUQV-KRCNFQFXSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00007 C24H28N2O6 10.05 CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)[C@@]6(C1)[C@H](O6)CO[C@H]5CC(=O)N4C7=CC(=C(C=C37)OC)OC InChI=1S/C24H28N2O6/c1-25-5-4-23-12-6-15(29-2)16(30-3)8-14(12)26-20(28)9-17-21(22(23)26)13(7-18(23)27)24(11-25)19(32-24)10-31-17/h6,8,13,17,19,21-22H,4-5,7,9-11H2,1-3H3/t13-,17+,19-,21+,22+,23-,24+/m1/s1 RYJBYRAOLAWKPE-BWFDLDMASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00008 C20H22N3 10.2 C[C@H]1C2=C(C[C@@H]3[N@@+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 InChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1/t13-,19-,23+/m0/s1 KXNXUEUDDUKJMK-CUKRAGERSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00009 C27H34N2O10 10.35 COC(=O)C12[C@@H]3O[C@@H]4CN[C@H]([C@]15C4C6=CC=CC=C6N5)CC2C([C@@H](O3)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)C=C InChI=1S/C27H34N2O10/c1-3-11-13-8-17-27-18(12-6-4-5-7-14(12)29-27)15(9-28-17)37-25(26(13,27)24(34)35-2)39-22(11)38-23-21(33)20(32)19(31)16(10-30)36-23/h3-7,11,13,15-23,25,28-33H,1,8-10H2,2H3/t11?,13?,15-,16+,17+,18?,19+,20-,21+,22-,23-,25-,26?,27+/m1/s1 WDWBIMUMOSJVDO-DTXSXHOTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0420_00010 C19H26N2O 10.36 CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]([C@@H]3NC5=CC=CC=C45)CO InChI=1S/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3/t12-,13+,14+,17+,18+,19-/m1/s1 FAQGZHFLASTWAV-RWANUPMISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00011 C20H24N2O3 10.85 C[C@@H]([C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC)O InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3/t11-,12-,13-,16-,20+/m0/s1 DWLJVOJBWLYMJO-AXRAJECPSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00012 C20H22N3 10.88 C[C@@H]1C2=C(C[C@@H]3[N@@+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 InChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1/t13-,19+,23-/m1/s1 KXNXUEUDDUKJMK-DEWVYBRMSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00013 C21H22N2O2 11 C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 QMGVPVSNSZLJIA-FVWCLLPLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00014 C20H22N2O2 11.11 CC=C1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/t13-,16-,20+/m0/s1 AGZMFTKKLPHOMT-ZSOFBXJNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00015 C20H23N2O 11.29 C/C=C\1/C[N@@+]2(CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C InChI=1S/C20H22N2O/c1-3-13-11-22(2)9-8-20-16-6-4-5-7-17(16)21-19(20)15(12-23)14(13)10-18(20)22/h3-7,12,14,18H,8-11H2,1-2H3/p+1/b13-3-/t14-,18-,20+,22-/m0/s1 ZEMNDQUOMWGCAZ-MZFNONIYSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00016 C19H24N2O2 11.65 C/C=C\1/CN2CCC3=C(C2CC1CCO)NC4=C3C=C(C=C4)O InChI=1S/C19H24N2O2/c1-2-12-11-21-7-5-15-16-10-14(23)3-4-17(16)20-19(15)18(21)9-13(12)6-8-22/h2-4,10,13,18,20,22-23H,5-9,11H2,1H3/b12-2- KLYKGWYHZKEJOS-OIXVIMQBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00017 C19H20N2O 11.7 C=C[C@]12C[C@H]3C(=O)NC4=CC=CC=C4[C@]35[C@H]1N(CC5)CC=C2 InChI=1S/C19H20N2O/c1-2-18-8-5-10-21-11-9-19(17(18)21)13-6-3-4-7-15(13)20-16(22)14(19)12-18/h2-8,14,17H,1,9-12H2,(H,20,22)/t14-,17-,18-,19-/m0/s1 BEMFQIDPZLYEBJ-QZHFEQFPSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Melodinus alkaloids (CHEMONTID:0003761) NA (NA) NA (NA) NA (NA) +0420_00018 C21H26N2O4 11.85 C[C@@H]1[C@@H]2CN3CC[C@@]45[C@@]3(C[C@@H]2[C@H]([C@@H]4N(C6=CC=CC=C56)C(=O)CO)CO1)O InChI=1S/C21H26N2O4/c1-12-14-9-22-7-6-20-16-4-2-3-5-17(16)23(18(25)10-24)19(20)15(11-27-12)13(14)8-21(20,22)26/h2-5,12-15,19,24,26H,6-11H2,1H3/t12-,13+,14+,15-,19+,20+,21-/m1/s1 PUJOYKKZYBTUSK-LQOCACJHSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00019 C21H26N2O3 11.9 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3 FFVRRQMGGGTQRH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00020 C30H34N4O2 11.94 CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4[C@]5(CCN4C[C@@H]3C=C)C6=C(C=C(C=C6)O)NC5=O)NC7=CC=CC=C27 InChI=1S/C30H34N4O2/c1-3-18-17-34-13-11-30(23-9-8-20(35)16-25(23)32-29(30)36)27(34)15-19(18)14-26-28-22(10-12-33(26)2)21-6-4-5-7-24(21)31-28/h3-9,16,18-19,26-27,31,35H,1,10-15,17H2,2H3,(H,32,36)/t18-,19-,26-,27-,30-/m0/s1 YAXAQXBFDAJGGS-OOPXJOFBSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00021 C22H26N2O3 12.01 C/C=C\1/CN2[C@H]3C[C@@H]1C4([C@@H]2CC5([C@@H]3N(C6=CC=CC=C65)C)[C@@H]4O)C(=O)OC InChI=1S/C22H26N2O3/c1-4-12-11-24-16-9-14(12)22(20(26)27-3)17(24)10-21(19(22)25)13-7-5-6-8-15(13)23(2)18(16)21/h4-8,14,16-19,25H,9-11H2,1-3H3/b12-4-/t14-,16-,17-,18+,19-,21?,22?/m0/s1 DOUQNGAJTIRQPP-NPWUBBBWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00022 C22H26N2O4 12.06 C/C=C/1\CN(CCC23C4C(C1CC2=O)COC(C(=O)N4C5=CC=CC=C35)O)C InChI=1S/C22H26N2O4/c1-3-13-11-23(2)9-8-22-16-6-4-5-7-17(16)24-19(22)15(14(13)10-18(22)25)12-28-21(27)20(24)26/h3-7,14-15,19,21,27H,8-12H2,1-2H3/b13-3+ BLJOXWGKDCMTMU-QLKAYGNNSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00023 C21H22N2O2 12.14 C1CN2CC(=CCO)[C@@H]3C[C@H]2[C@@]14[C@@H]5C3=CCC(=O)N5C6=CC=CC=C46 InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/t15-,18-,20-,21+/m0/s1 PNYOGGAOQVIZDM-CEDBRAGKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00024 C21H26N2O2 12.55 CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)CO InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/t15-,16+,19-,20-,21?/m0/s1 IJTKEUDLEABZCZ-CLRGLAINSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00025 C20H26N2O2 12.55 CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1 CJDRUOGAGYHKKD-RQBLFBSQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00026 C23H26N2O4 12.57 C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@@H]1C4(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O4/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-20(22)19(25)11-17(15)23(22,21(27)28-3)13-29-14(2)26/h4-8,17,19H,9-13H2,1-3H3/b15-4-/t17-,19-,22+,23?/m0/s1 QBHALCZZZWCCLV-AATGQAFQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00027 C35H43N5O 12.58 CN1CCC[C@@H]1C2=C(C=CC3=C2NC4=C3CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28+,29-,30-/m0/s1 PHLJPJICTIGOKC-XKYMZAEISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00028 C31H36N4O2 12.62 C/C=C\1/CN([C@H]2CC3=C([C@H](C[C@H]1C2C(=O)OC)C4=CC5=C(C=C4)C(=CN5)CCN)NC6=CC=CC=C36)C InChI=1S/C31H36N4O2/c1-4-18-17-35(2)28-15-25-22-7-5-6-8-26(22)34-30(25)24(14-23(18)29(28)31(36)37-3)19-9-10-21-20(11-12-32)16-33-27(21)13-19/h4-10,13,16,23-24,28-29,33-34H,11-12,14-15,17,32H2,1-3H3/b18-4-/t23-,24-,28+,29?/m1/s1 ZOBHQOIVLKIBTQ-SBSBCDAMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00029 C23H26N2O4 12.95 COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 RRKTZKIUPZVBMF-IBTVXLQLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00030 C21H24N2O3 12.95 C/C=C\1/CN2[C@H]3CC4=C(C2C[C@@H]1C3(CO)C(=O)OC)NC5=CC=CC=C45 InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17?,18-,21?/m0/s1 RCEFXZXHYFOPIE-GEKSJJQVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00031 C21H24N2O3 12.98 CC[C@]12C[C@@](N3C4=CC=CC=C4C5=C3[C@H]1N(CC5)CC=C2)(C(=O)OC)O InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3/t18-,20+,21+/m1/s1 BQGJXFQCMYJENQ-GIVPXCGWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Eburnan-type alkaloids (CHEMONTID:0002671) NA (NA) NA (NA) NA (NA) +0420_00032 C24H28N2O5 13.05 CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCO[C@H]5CC(=O)N4C6=CC(=C(C=C36)OC)OC)C1 InChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3/t14-,19-,22-,23-,24+/m0/s1 POLBLONFVZXVPI-SVFVWZOVSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00033 C21H20N2O3 13.15 C[C@H]1[C@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1 WYTGDNHDOZPMIW-VBNZEHGJSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00034 C35H43N5O 13.16 CN1CCC[C@H]1C2=C(C=CC3=C2NC4=C3CCN5[C@H]4C[C@@H]([C@H](C5)C=C)C[C@H]6C7=C(CCN6C)C8=CC=CC=C8N7)O InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28-,29-,30-/m0/s1 PHLJPJICTIGOKC-RZVVXSKCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00035 C21H22N2O3 13.27 C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@]2([C@@]61C7=CC=CC=C75)O InChI=1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2/t13-,16-,18-,19-,20-,21+/m0/s1 HCCFPODVEOBUMM-YOQTYQRRSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00036 C30H34N4O 13.33 CN1CCC2=C([C@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=C(N5)C=C(C=C6)O)NC7=CC=CC=C27 InChI=1S/C30H34N4O/c1-3-18-17-34-13-11-24-22-9-8-20(35)16-26(22)32-30(24)28(34)15-19(18)14-27-29-23(10-12-33(27)2)21-6-4-5-7-25(21)31-29/h3-9,16,18-19,27-28,31-32,35H,1,10-15,17H2,2H3/t18-,19-,27+,28-/m0/s1 DGQWMSVZRIPJMR-YBTNASEBSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00037 C22H24N2O4 13.39 CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCO[C@H]5CC(=O)N4C6=C3C=CC=C6O)C1 InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1 ZMTYENXGROJCEA-LNKPQSDASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00038 C22H29N2O4 13.4 C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20?,21-,22-,24-/m0/s1 AFJPGVUCVDCFPM-OBYWIAIFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00039 C40H49N4O5 13.4 CC[C@]12CCC[N@@+]3(C1)CC[C@@]4([C@@]3(CC2)NC5=C4C=C6C[C@@]78CC[N+]9(C/C(=C/C)/[C@@H]1C[C@H]9[C@@]7(N([C@@H]1C(=O)OC)C1=CC=CC=C81)OC6=C5)[O-])O InChI=1S/C40H49N4O5/c1-4-25-23-44(47)18-14-37-22-26-19-29-30(41-39-13-12-36(5-2)11-8-16-43(39,24-36)17-15-38(29,39)46)21-32(26)49-40(37)33(44)20-27(25)34(35(45)48-3)42(40)31-10-7-6-9-28(31)37/h4,6-7,9-10,19,21,27,33-34,41,46H,5,8,11-18,20,22-24H2,1-3H3/q+1/b25-4-/t27-,33-,34-,36+,37+,38+,39-,40+,43-,44?/m0/s1 NWYINGBEUFKIIL-NSOTUHFVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00040 C20H22N2O3 13.4 C/C=C\1/CN[C@H]2CC3=C(C(=O)CC1[C@H]2C(=O)OC)NC4=CC=CC=C34 InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3-/t13?,16-,18+/m0/s1 NKTORRNHKYVXSU-HMMXGVIASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00041 C21H24N2O2 13.46 C[C@@H]1[C@]23C[C@H]([C@]14[C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15+,18+,19+,20-,21+/m1/s1 JSLDLCGKZDUQSH-GWZUGAIVSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00042 C23H26N2O4 13.52 C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O4/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-20(22)19(25)11-17(15)23(22,21(27)28-3)13-29-14(2)26/h4-8,17,19H,9-13H2,1-3H3/b15-4-/t17-,19+,22-,23?/m1/s1 QBHALCZZZWCCLV-CLNIADLISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00043 C20H26N2O 13.57 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1 HSIBGVUMFOSJPD-NXWOVTFFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00044 C30H34N4O 13.6 CN1CCC2=C([C@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=C(N5)C=CC(=C6)O)NC7=CC=CC=C27 InChI=1S/C30H34N4O/c1-3-18-17-34-13-11-23-24-16-20(35)8-9-26(24)32-30(23)28(34)15-19(18)14-27-29-22(10-12-33(27)2)21-6-4-5-7-25(21)31-29/h3-9,16,18-19,27-28,31-32,35H,1,10-15,17H2,2H3/t18-,19-,27+,28-/m0/s1 QYONROBEKPAESK-YBTNASEBSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00045 C21H26N2O3 13.63 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17+,18-,19+/m0/s1 BLGXFZZNTVWLAY-AECJZGCLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00046 C22H24N2O3 13.64 CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCO[C@H]5CC(=O)N4C6=CC=CC=C36)C1 InChI=1S/C22H24N2O3/c1-23-8-7-22-15-4-2-3-5-16(15)24-19(26)11-17-20(21(22)24)14(10-18(22)25)13(12-23)6-9-27-17/h2-6,14,17,20-21H,7-12H2,1H3/t14-,17-,20-,21-,22+/m0/s1 RNZRHJNFQWMXHB-ZXXLSYNSSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00047 C19H24N2O 13.66 C=C[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1CCO)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1 IILQILGCNGUUHT-DEYYWGMASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00048 C20H24N2O2 13.69 COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 LOUPRKONTZGTKE-LHHVKLHASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Cinchona alkaloids (CHEMONTID:0002246) NA (NA) NA (NA) NA (NA) +0420_00049 C20H24N2O2 13.7 CC[C@@H]1[C@@H]2[C@@]34CCN2CCC1C(=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13?,18+,20+/m0/s1 RLAKWLFUMAABBE-BMWAJPDPSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00050 C21H26N2O3 13.8 COC(=O)[C@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1 BLGXFZZNTVWLAY-FJDMERLMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00051 C38H44N4O 13.83 CC[C@@H]1CN2CC[C@@]34C2CC1[C@H]5C3N(C(OC5)C6[C@@H]\7CC8C9=C(CC6N8C/C7=C/C)C1=CC=CC=C1N9)C1=CC=CC=C41 InChI=1S/C38H44N4O/c1-3-21-18-40-14-13-38-28-10-6-8-12-30(28)42-36(38)27(24(21)17-33(38)40)20-43-37(42)34-25-15-32-35-26(23-9-5-7-11-29(23)39-35)16-31(34)41(32)19-22(25)4-2/h4-12,21,24-25,27,31-34,36-37,39H,3,13-20H2,1-2H3/t21-,24?,25-,27+,31?,32?,33?,34?,36?,37?,38-/m1/s1 CSVWQRLFFUNUND-JNWJSWPESA-N +0420_00052 C40H47N4O5 13.83 CC[C@]12CCC[N@@+]3(C1)CC[C@@]4([C@@]3(CC2)NC5=C4C=C6C(=C5)O[C@@]78[C@@H]9C[C@@H]\1[C@H](N7C2=CC=CC=C2[C@]8(C6=O)CCN9C/C1=C/C)C(=O)OC)O InChI=1S/C40H46N4O5/c1-4-24-22-42-16-14-37-27-9-6-7-10-30(27)43-33(35(46)48-3)25(24)20-32(42)40(37,43)49-31-21-29-28(19-26(31)34(37)45)38(47)15-18-44-17-8-11-36(5-2,23-44)12-13-39(38,44)41-29/h4,6-7,9-10,19,21,25,32-33,47H,5,8,11-18,20,22-23H2,1-3H3/p+1/t25-,32-,33-,36+,37-,38+,39-,40+,44-/m0/s1 CBBXXVJTZYTTBO-AGANHBKASA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00053 C19H26N2O 14.05 CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1CCO)NC4=CC=CC=C34 InChI=1S/C19H26N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,13-14,18,20,22H,2,7-12H2,1H3/t13-,14+,18+/m1/s1 KBMIVGVAJKVWBU-GLJUWKHASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00054 C22H28N2O4 14.08 COC1=CC2=C(C=C1)C3=C(N2)[C@@H]4C[C@H]5[C@@H](CC[C@@H]([C@@H]5C(=O)OC)O)CN4CC3 InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16-,18-,19-,20+/m0/s1 DBCVUIBEXPYXAJ-SDVLLTEKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00055 C20H27N2O 14.23 C[N@@+]12CC[C@@H](C[C@H]1C3=C(CC2)C4=CC=CC=C4N3)[C@H](CO)C=C InChI=1S/C20H27N2O/c1-3-14(13-23)15-8-10-22(2)11-9-17-16-6-4-5-7-18(16)21-20(17)19(22)12-15/h3-7,14-15,19,21,23H,1,8-13H2,2H3/q+1/t14-,15-,19-,22-/m0/s1 MZLZYEQWGKCFKZ-STAGFUQPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00056 C19H20N2O 14.24 C/C=C\1/CN([C@@H]2C(=C)[C@H]1CC(=O)C3=C2C4=CC=CC=C4N3)C InChI=1S/C19H20N2O/c1-4-12-10-21(3)19-11(2)14(12)9-16(22)18-17(19)13-7-5-6-8-15(13)20-18/h4-8,14,19-20H,2,9-10H2,1,3H3/b12-4-/t14-,19-/m1/s1 IIVNFAVESMLIIL-IULYYSJBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00057 C21H26N2O3 14.25 COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1 BLGXFZZNTVWLAY-DKJBZYCGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00058 C22H26N2O3 14.25 C/C=C\1/CN2[C@H]3CC4=C(C2C[C@@H]1C3(CO)C(=O)OC)N(C5=CC=CC=C45)C InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18?,19-,22?/m0/s1 IWEYXWIPVZEVPT-RAVRWMCNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00059 C21H24N2O3 14.26 C/C=C/1\CN(C[C@@]2([C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C InChI=1S/C21H24N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h4-8,16,22H,9-12H2,1-3H3/b13-4+/t16-,21-/m0/s1 NFUNVPXUVUEVKF-CSUVEVHTSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ervatamia alkaloids (CHEMONTID:0003757) NA (NA) NA (NA) NA (NA) +0420_00060 C22H26N2O4 14.3 CC=C1CN2CC[C@@]34C5=C(C=CC(=C5)O)N([C@@]36[C@@H]2C[C@H]1C4(CO6)C(=O)OC)C InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/t15-,18+,20?,21+,22-/m1/s1 YILKZADAWNUTTB-LPYPRUTJSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00061 C19H22N2O 14.35 C/C=C\1/CN(C[C@@H]2[C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C InChI=1S/C19H22N2O/c1-3-12-10-21(2)11-13-8-16-14-6-4-5-7-17(14)20-19(16)18(22)9-15(12)13/h3-7,13,15,20H,8-11H2,1-2H3/b12-3-/t13-,15+/m1/s1 GCVROCDNUNQXAD-DFZYWPJISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00062 C17H16N2 14.36 CCC1=CN2CCC3=C4C=CC=CC4=NC3=C2C=C1 InChI=1S/C17H16N2/c1-2-12-7-8-16-17-14(9-10-19(16)11-12)13-5-3-4-6-15(13)18-17/h3-8,11H,2,9-10H2,1H3 DAGPUIPHACXCSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolizines (CHEMONTID:0000222) NA (NA) NA (NA) NA (NA) +0420_00063 C40H48N4O3 14.42 CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]6C[C@H]7C8=C(CCN7CC6=CC)C9=CC=CC=C9N8)C(=O)OC)C1=CC=CC=C41 InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1 ISDWYSGTYITCHG-GAJRUYQJSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00064 C19H24N2O 14.43 CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1CC=O)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,10,13-14,18,20H,2,7-9,11-12H2,1H3/t13-,14+,18+/m1/s1 DSEOMGZLHGEUMX-GLJUWKHASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00065 C29H30N4 14.53 CCC1CN2CCC3=C([C@@H]2C[C@@H]1CC4=NC=CC5=C4NC6=CC=CC=C56)NC7=CC=CC=C37 InChI=1S/C29H30N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-11,13,18-19,27,31-32H,2,12,14-17H2,1H3/t18?,19-,27-/m0/s1 QODPASWLKWJHBB-PTORSQSXSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00066 C21H24N2O4 14.62 C/C=C/1\CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(CO)C(=O)OC InChI=1S/C21H24N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,14,16-17,22,24H,8-11H2,1-2H3/b12-3+/t14-,16-,17-,19-,20-,21-/m0/s1 MPNPJQYCBQXPGW-XYOKBCDHSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00067 C40H48N4O3 14.66 CC[C@]12CCCN(C1)CCC3=C(CC2)NC4=C3C=C5C[C@@]67CCN8C/C(=C/C)/[C@H]9C[C@@H]8[C@@]6(N([C@@H]9C(=O)OC)C1=CC=CC=C71)OC5=C4 InChI=1S/C40H48N4O3/c1-4-25-23-43-18-15-39-22-26-19-29-27-12-17-42-16-8-13-38(5-2,24-42)14-11-31(27)41-32(29)21-34(26)47-40(39)35(43)20-28(25)36(37(45)46-3)44(40)33-10-7-6-9-30(33)39/h4,6-7,9-10,19,21,28,35-36,41H,5,8,11-18,20,22-24H2,1-3H3/b25-4-/t28-,35-,36+,38-,39-,40-/m1/s1 FXNSZAOKKBWFLU-ZFNFFTCCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00068 C19H20N2O 14.71 CC=C1CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=CC=CC=C45)C=O InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/t13-,15+,17-,18-/m0/s1 MHASSCPGKAMILD-DHXZDTOLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00069 C21H26N2O3 14.73 CC[C@@H]1CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@H]2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19-/m1/s1 FFVRRQMGGGTQRH-MSPRAJMNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00070 C30H36N4 14.74 CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1C[C@H]4C5=C(CCN4C)C6=CC=CC=C6N5)NC7=CC=CC=C37 InChI=1S/C30H36N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h4-11,19-20,27-28,31-32H,3,12-18H2,1-2H3/t19-,20-,27-,28-/m0/s1 QMPMOSMXZGIBBR-DXBSEXLMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00071 C30H34N4 14.8 CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=CC=CC=C6N5)NC7=CC=CC=C27 InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1 JICXOAIUPFUZPK-DXBSEXLMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00072 C20H25N2O 14.82 C/C=C\1/C[N+]2(CCC3=C4[C@@H]2C[C@@H]1C(N4C5=CC=CC=C35)CO)C InChI=1S/C20H25N2O/c1-3-13-11-22(2)9-8-15-14-6-4-5-7-17(14)21-18(12-23)16(13)10-19(22)20(15)21/h3-7,16,18-19,23H,8-12H2,1-2H3/q+1/b13-3-/t16-,18?,19-,22?/m0/s1 HFLUPWJGJPYITM-GTGFZELSSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00073 C21H24N2O3 14.82 CC[C@]1(C[C@]23[C@@H]1N4CC[C@@]5(C4C2)C6=CC=CC=C6NC5=C3C(=O)OC)O InChI=1S/C21H24N2O3/c1-3-20(25)11-19-10-14-21(8-9-23(14)18(19)20)12-6-4-5-7-13(12)22-16(21)15(19)17(24)26-2/h4-7,14,18,22,25H,3,8-11H2,1-2H3/t14?,18-,19+,20+,21-/m0/s1 RWIBVEZSMNDHAB-VQAUZTJOSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00074 C20H26N2O2 14.9 C[C@@H]([C@@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)O InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3/t11-,12-,15-,17-,20-/m0/s1 QLSITYRYHBQHBY-MHUVELHISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00075 C21H24N2O3 14.91 C/C=C\1/CN2[C@H]3C[C@@]45[C@H](C2C[C@@H]1C3([C@H]4O)C(=O)OC)NC6=CC=CC=C56 InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15?,16-,17-,18-,20+,21?/m0/s1 RLUORQGMBKDXPO-UAPZWEKESA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00076 C21H26N2O3 14.99 CC[C@@H]1CN(C[C@@]2([C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16+,21+/m1/s1 METLQVFFFUYXNT-QTPGKHNVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ervatamia alkaloids (CHEMONTID:0003757) NA (NA) NA (NA) NA (NA) +0420_00077 C40H46N4O2 15.01 C/C=C\1/CN2CC[C@@]34CN5C6=C(C=CC=C6[C@@]37[C@@H]2C[C@@H]1[C@H](N7C8=CC=CC=C48)C(=O)OC)[C@@]91[C@]52CC[C@@]3([C@H]2C)[C@@H]9N(CCC3)CC1 InChI=1S/C40H46N4O2/c1-4-25-22-42-19-16-37-23-43-33-28(38-17-20-41-18-8-13-36(35(38)41)14-15-39(38,43)24(36)2)10-7-11-29(33)40(37)31(42)21-26(25)32(34(45)46-3)44(40)30-12-6-5-9-27(30)37/h4-7,9-12,24,26,31-32,35H,8,13-23H2,1-3H3/b25-4-/t24-,26+,31+,32+,35+,36+,37+,38-,39-,40-/m1/s1 NHYWHOQGRJLYBG-ZPMBQDCHSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00078 C19H26N2 15.05 CC[C@]12CCCN(C1)CCC3=C(CC2)NC4=CC=CC=C34 InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1 FDNDLNFGITWTOZ-LJQANCHMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Quebrachamine alkaloids (CHEMONTID:0002757) NA (NA) NA (NA) NA (NA) +0420_00079 C22H26N2O3 15.06 CN1C2=CC=CC=C2C34[C@]15CC[C@@]6([C@@H]3N(CCC6)C(=O)C4)C[C@H]5C(=O)OC InChI=1S/C22H26N2O3/c1-23-16-7-4-3-6-14(16)21-13-17(25)24-11-5-8-20(19(21)24)9-10-22(21,23)15(12-20)18(26)27-2/h3-4,6-7,15,19H,5,8-13H2,1-2H3/t15-,19-,20+,21?,22+/m0/s1 MZNKKVMOBDPECG-VWPMZRFWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00080 C43H54N4O6 15.07 CC[C@H]1C[C@H]2CC3([C@H]1N(C2O)CCC4=C3NC5=C4C=CC(=C5[C@@H]6C[C@H]7[C@@H](CN([C@H](C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)[C-]=[O+]OC InChI=1S/C43H54N4O6/c1-7-23-17-25-20-43(22-53-52-6)39-28(15-16-47(40(23)43)41(25)48)27-13-14-34(50-4)36(38(27)45-39)31-18-29-24(8-2)21-46(3)33(35(29)42(49)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h9-14,23-25,29,31,33,35,40-41,44-45,48H,7-8,15-21H2,1-6H3/t23-,24+,25-,29-,31-,33-,35?,40-,41?,43?/m0/s1 RSGGBTKQVAPKCH-XTTXCQITSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00081 C21H26N2O3 15.2 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 BLGXFZZNTVWLAY-SCYLSFHTSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00082 C38H39N4O 15.2 C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]3N(C=C([C@H]5O)[C@H]\6CC7=[N+](C/C6=C/C)C=CC8=C7NC9=CC=CC=C89)C1=CC=CC=C41 InChI=1S/C38H38N4O/c1-3-22-19-40-15-13-25-24-9-5-7-11-30(24)39-35(25)32(40)17-26(22)28-21-42-31-12-8-6-10-29(31)38-14-16-41-20-23(4-2)27(18-33(38)41)34(36(28)43)37(38)42/h3-13,15,21,26-27,33-34,36-37,43H,14,16-20H2,1-2H3/p+1/b22-3?,23-4-/t26-,27-,33-,34-,36+,37-,38+/m0/s1 INVOSXVUPRCXKV-BNKROVLNSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00083 C40H48N4O2 15.28 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)[C@H]6C[C@@H]7C([C@@H](CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/t22-,23-,29-,30+,32-,35+,36?,39-/m0/s1 MTARGWPMLJBYNG-UJZANQMYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00084 C42H42N4O2 15.32 CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89[C@H]1N7CC(=CC)[C@H](C1)[C@H]1[C@@H]8N(C(=O)C=C1)C1=CC=CC=C91 InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-14,17,25-28,34-36,38-39H,15-16,18-22H2,1-2H3/t25-,26-,27-,28-,34?,35-,36-,38-,39-,41?,42?/m0/s1 VCDMHIARBYKHSB-CBYDNGFISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00085 C21H24N2O3 15.32 C/C=C\1/CN([C@@H]2CC3=C(C(=O)C[C@@H]1C2C(=O)OC)NC4=CC=CC=C34)C InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19?/m0/s1 TYPMTMPLTVSOBU-BGUKETDVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00086 C19H24N2 15.34 CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=CC=CC=C45 InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13+,16+,19+/m1/s1 LRLCVRYKAFDXKU-YGOSVGOTSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00087 C42H42N4O3 15.35 C/C=C\1/CN2[C@H]3C[C@@H]1C4=CCC(=O)N5[C@@H]4[C@]3(C[C@@H]2C6=C[C@H]7[C@H]\8C[C@H]9[C@@]1([C@H]7N(C6=O)C2=CC=CC=C21)CCN9C/C8=C/CO)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-23-22-44-34(20-42-31-8-4-5-9-32(31)45-37(48)12-11-25(38(42)45)26(23)19-36(42)44)29-17-28-27-18-35-41(14-15-43(35)21-24(27)13-16-47)30-7-3-6-10-33(30)46(39(28)41)40(29)49/h2-11,13,17,26-28,34-36,38-39,47H,12,14-16,18-22H2,1H3/b23-2-,24-13?/t26-,27-,28-,34+,35-,36-,38-,39-,41+,42+/m0/s1 WGKQKBZVYLWPHU-MDFSDWQNSA-N +0420_00088 C20H22N2O3 15.35 C/C=C/1\[C@@H]2[C@@]34CC[N@@+]2(CCC1C(=C3NC5=CC=CC=C45)C(=O)OC)[O-] InChI=1S/C20H22N2O3/c1-3-12-13-8-10-22(24)11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)25-2/h3-7,13,18,21H,8-11H2,1-2H3/b12-3-/t13?,18-,20-,22-/m1/s1 VSVUYWHJSOBUDT-BFPRUOFYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00089 C30H31N4 15.48 C/C=C\1/C[N+]2(CCC3=C([C@@H]2C[C@@H]1CC4=NC=CC5=C4NC6=CC=CC=C56)NC7=CC=CC=C37)C InChI=1S/C30H31N4/c1-3-19-18-34(2)15-13-24-22-9-5-7-11-26(22)33-30(24)28(34)17-20(19)16-27-29-23(12-14-31-27)21-8-4-6-10-25(21)32-29/h3-12,14,20,28,32-33H,13,15-18H2,1-2H3/q+1/b19-3-/t20-,28-,34?/m0/s1 QCLXHLAQWSKUQF-MPMWDDIASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00090 C42H42N4O3 15.55 C/C=C\1/CN2[C@H]3C[C@@H]1C4=CCC(=O)N5[C@@H]4[C@]3(C[C@@H]2[C@H]6[C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-11,13,25-26,31-33,35-39H,12,14-21H2,1H3/b22-2-/t25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1 PXWJNFJRUYWQOX-DSNAYJLUSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00091 C20H22N2O2 15.64 C/C=C\1/C[N+]2([C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)C(=O)[O-])C InChI=1S/C20H22N2O2/c1-3-11-10-22(2)16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)24/h3-7,13,16-18,21H,8-10H2,1-2H3/b11-3-/t13-,16-,17-,18?,22?/m0/s1 JCECAVUEIWGKAR-IFQRIBKDSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00092 C23H28N2O6 15.75 C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC(=C(C=C5NC4=O)OC)OC InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1 QIZNWMMOECVGAP-GHTUMPRVSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0420_00093 C32H36N2O8 15.76 C/C=C\1/CN2[C@H]3C[C@@H]1C4([C@@H]2CC5([C@@H]3N(C6=C5C=C(C=C6)O)C)[C@@H]4OC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC InChI=1S/C32H36N2O8/c1-7-16-15-34-22-13-19(16)32(30(37)41-6)25(34)14-31(20-12-18(35)8-9-21(20)33(2)27(22)31)29(32)42-28(36)17-10-23(38-3)26(40-5)24(11-17)39-4/h7-12,19,22,25,27,29,35H,13-15H2,1-6H3/b16-7-/t19-,22-,25-,27+,29-,31?,32?/m0/s1 QZYBQHBBKYUFTE-JBLJBMSWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00094 C40H45N4O3 15.81 CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N([C@@H](OC5)[C@@H]([C@H]6CC7=[N+](CC6=CC)C=CC8=C7NC9=CC=CC=C89)C(=O)OC)C1=CC=CC=C41 InChI=1S/C40H44N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-14,16,23,27-29,34-35,37-38H,4,15,17-22H2,1-3H3/p+1/t23-,27+,28+,29+,34+,35-,37+,38+,40-/m1/s1 NTYUVNILMFXXRA-GGMSPVPASA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00095 C20H26N2O2 15.89 CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1 CJDRUOGAGYHKKD-HEFSZTOGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00096 C20H26N2O2 15.95 C[C@H]1[C@@H]2CN(CC[C@]34[C@H]([C@@H]([C@H]2CC3=O)CO1)NC5=CC=CC=C45)C InChI=1S/C20H26N2O2/c1-12-14-10-22(2)8-7-20-16-5-3-4-6-17(16)21-19(20)15(11-24-12)13(14)9-18(20)23/h3-6,12-15,19,21H,7-11H2,1-2H3/t12-,13-,14-,15+,19-,20+/m0/s1 WJNDCLTZZJQWQW-IOKXVFATSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00097 C40H46N4O4 15.99 CC[C@]12CC[C@]34[C@H]1N(CC[C@H]3C5=C(N4)C=CC(=C5)[C@H]6[C@@H]7[C@@H](O7)[C@]8(CC(=C9[C@@]1([C@H]8N6CC1)C1=CC=CC=C1N9)C(=O)OC)CC)C[C@@H]1[C@H]2O1 InChI=1S/C40H46N4O4/c1-4-37-13-14-40-24(12-16-43(36(37)40)20-28-32(37)47-28)22-18-21(10-11-26(22)42-40)29-30-33(48-30)38(5-2)19-23(34(45)46-3)31-39(15-17-44(29)35(38)39)25-8-6-7-9-27(25)41-31/h6-11,18,24,28-30,32-33,35-36,41-42H,4-5,12-17,19-20H2,1-3H3/t24-,28+,29-,30+,32+,33+,35-,36-,37+,38+,39-,40+/m0/s1 IMSLQOWUUQQNOC-HQNYPCIYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00098 C23H28N2O4 16 C/C=C/1\CN(CC[C@]23[C@@H]4[C@@H]([C@H]1CC2=O)CO[C@@H](C(=O)N4C5=CC=CC=C35)OC)C InChI=1S/C23H28N2O4/c1-4-14-12-24(2)10-9-23-17-7-5-6-8-18(17)25-20(23)16(15(14)11-19(23)26)13-29-22(28-3)21(25)27/h4-8,15-16,20,22H,9-13H2,1-3H3/b14-4+/t15-,16+,20-,22-,23+/m0/s1 MHRUSPYZNNVVHC-OUVZHCRSSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00099 C42H42N4O2 16.03 C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(C6=CC=CC=C46)C(=O)C(=C5)[C@H]7C[C@@]89[C@H]1N7C/C(=C/C)/[C@H](C1)C1=CCC(=O)N([C@@H]18)C1=CC=CC=C91 InChI=1S/C42H42N4O2/c1-3-23-21-43-16-15-41-30-9-5-8-12-33(30)46-39(41)28(27(23)18-35(41)43)17-29(40(46)48)34-20-42-31-10-6-7-11-32(31)45-37(47)14-13-25(38(42)45)26-19-36(42)44(34)22-24(26)4-2/h3-13,17,26-28,34-36,38-39H,14-16,18-22H2,1-2H3/b23-3-,24-4-/t26-,27-,28-,34+,35-,36-,38-,39-,41+,42+/m0/s1 YUHHQTGJEOQYDV-RARADXCZSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00100 C20H24N2O2 16.07 C/C=C(/C=O)\[C@H]1C[C@@H](N2C3=CC=CC=C3C4=C2C(C1)N(CC4)C)O InChI=1S/C20H24N2O2/c1-3-13(12-23)14-10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(20)19(24)11-14/h3-7,12,14,18-19,24H,8-11H2,1-2H3/b13-3-/t14-,18?,19+/m1/s1 LGSDYQBPJKYJCT-UZMQUIQSSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00101 C21H24N2O2 16.11 CCC1=CC2C[C@@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13?,19-,21-/m1/s1 CMKFQVZJOWHHDV-BTSGLNRLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00102 C23H30N2O5 16.12 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)O InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1 MDJQWFFIUHUJSB-UQVJXISSSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00103 C20H22N2O2 16.17 C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C20H22N2O2/c1-3-11-10-22-16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)24-2/h3-7,13,16-18,21H,8-10H2,1-2H3/b11-3-/t13-,16-,17-,18+/m0/s1 VXRAIAAMNNTQES-ZXUZAAEDSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Macroline alkaloids (CHEMONTID:0003759) NA (NA) NA (NA) NA (NA) +0420_00104 C38H44N4 16.27 CC[C@H]1C[C@H]2C[C@]3(CC4=C5[C@]6(CCN7C6C[C@H]4[C@H](C7)CC)C8=CC=CC=C8N5C3)C9=NC3=CC=CC=C3[C@]93C2N1CC3 InChI=1S/C38H44N4/c1-3-23-21-40-15-13-37-29-10-6-8-12-31(29)42-22-36(20-27(34(37)42)26(23)18-32(37)40)19-24-17-25(4-2)41-16-14-38(33(24)41)28-9-5-7-11-30(28)39-35(36)38/h5-12,23-26,32-33H,3-4,13-22H2,1-2H3/t23-,24-,25-,26-,32?,33?,36+,37+,38+/m0/s1 BPPDUZFXSHMETQ-QRDWOSGVSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00105 C20H26N2O4 16.28 CC[C@@H]1[C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1 RIHQHYIWKHVLRH-XKTBTPLDSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Gelsemium alkaloids (CHEMONTID:0003758) NA (NA) NA (NA) NA (NA) +0420_00106 C43H54N4O6 16.28 CC[C@@H]1C[C@@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)[C@]6(C[C@H]7[C@@H](CN([C@H](C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)O)OC)C(=O)OC InChI=1S/C43H54N4O6/c1-7-24-15-23-19-42(41(49)53-6)37-27(13-14-47(21-23)39(24)42)28-16-31(35(51-4)18-33(28)45-37)43(50)20-30-25(8-2)22-46(3)34(36(30)40(48)52-5)17-29-26-11-9-10-12-32(26)44-38(29)43/h9-12,16,18,23-25,30,34,36,39,44-45,50H,7-8,13-15,17,19-22H2,1-6H3/t23-,24-,25-,30+,34+,36?,39-,42+,43+/m1/s1 WSXQQVWDFOHOIB-DKQJEFSASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00107 C23H30N2O4 16.3 CC[C@H]1C[C@H]2C[C@@]3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC)C(=O)OC InChI=1S/C23H30N2O4/c1-5-14-8-13-11-23(22(26)29-4)20-15(6-7-25(12-13)21(14)23)16-9-18(27-2)19(28-3)10-17(16)24-20/h9-10,13-14,21,24H,5-8,11-12H2,1-4H3/t13-,14-,21?,23+/m0/s1 DUFLXLVGASPEMV-AUCSZEOUSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00108 C22H26N2O3 16.3 C/C=C\1/CN([C@H]2CC3=C(C(=O)CC1C2C(=O)OC)N(C4=CC=CC=C34)C)C InChI=1S/C22H26N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h5-9,15,18,20H,10-12H2,1-4H3/b13-5-/t15?,18-,20?/m0/s1 MGXLBYVOYDYHHV-VUQLXGDCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vobasan alkaloids (CHEMONTID:0002744) NA (NA) NA (NA) NA (NA) +0420_00109 C42H42N4O3 16.33 C/C=C\1/CN2[C@H]3C[C@@H]1C4C=CC(=O)N5[C@@H]4[C@]3(C[C@@H]2[C@H]6[C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15 InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-13,24-26,31-33,35-39H,14-21H2,1H3/b22-2-/t24?,25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1 LYRBFJCNZKRZPT-SGGJILAYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00110 C22H28N2O4 16.43 CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/t14-,15-,19-,22+/m0/s1 DAXYUDFNWXHGBE-OFFWNCNGSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indolizidines (CHEMONTID:0000251) NA (NA) NA (NA) NA (NA) +0420_00111 C21H24N2O4 16.49 C/C=C\1/CN2CC[C@@]3(C4=CC=CC=C4N5[C@@]3([C@@H]2C[C@@H]1C(=C5)C(=O)OC)O)O InChI=1S/C21H24N2O4/c1-3-13-11-22-9-8-20(25)16-6-4-5-7-17(16)23-12-15(19(24)27-2)14(13)10-18(22)21(20,23)26/h3-7,12,14,18,25-26H,8-11H2,1-2H3/b13-3-/t14-,18-,20-,21-/m0/s1 ABALGCGSAUWIRD-AQENENKKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00112 C21H30N2O3 16.6 CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1CCO)NC4=CC(=C(C=C34)OC)OC InChI=1S/C21H30N2O3/c1-4-13-12-23-7-5-15-16-10-19(25-2)20(26-3)11-17(16)22-21(15)18(23)9-14(13)6-8-24/h10-11,13-14,18,22,24H,4-9,12H2,1-3H3/t13-,14-,18-/m0/s1 CMGYMWAXDJQKLJ-DEYYWGMASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00113 C29H34N4 16.62 CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=CC=CC=C6N5)NC7=CC=CC=C37 InChI=1S/C29H34N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-10,18-19,26-27,30-32H,2,11-17H2,1H3/t18-,19-,26+,27-/m0/s1 BYHWAEAVIGYEBJ-QJTMEEEXSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00114 C29H28N4O 16.64 C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1CC4=NC=CC5=C4NC6=C5C=C(C=C6)O)NC7=CC=CC=C37 InChI=1S/C29H28N4O/c1-2-17-16-33-12-10-22-20-5-3-4-6-24(20)32-29(22)27(33)14-18(17)13-26-28-21(9-11-30-26)23-15-19(34)7-8-25(23)31-28/h2-9,11,15,18,27,31-32,34H,10,12-14,16H2,1H3/b17-2-/t18-,27-/m0/s1 UXVNNVWPICKMTE-JKCZZUPASA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00115 C19H24N2O 16.68 C=C[C@H]1CN2CC[C@H]1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1 YAUKSCGKZYUZRH-DEYYWGMASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0420_00116 C22H26N2O3 16.7 CO/C=C(\[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3)/C(=O)OC InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20-/m0/s1 TZUGIFAYWNNSAO-XPOGPMDLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00117 C42H46N4O6 16.7 CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C(=C5)[C@H]6C=C[C@]7(CC(=C8[C@@]9([C@H]7N6CC9)C1=C(N8)C(=CC=C1)O)C(=O)OC)CC)O)C(=O)OC InChI=1S/C42H46N4O6/c1-5-39-12-8-16-45-17-14-42(37(39)45)27-19-23(31(48)20-28(27)43-33(42)24(21-39)35(49)51-3)29-11-13-40(6-2)22-25(36(50)52-4)34-41(15-18-46(29)38(40)41)26-9-7-10-30(47)32(26)44-34/h7-13,19-20,29,37-38,43-44,47-48H,5-6,14-18,21-22H2,1-4H3/t29-,37+,38+,39+,40+,41+,42+/m1/s1 GLWALLILRDRCHZ-BXAZNEECSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Plumeran-type alkaloids (CHEMONTID:0002672) NA (NA) NA (NA) NA (NA) +0420_00118 C19H21N2O 16.74 C/C=C\1/C[N+]2=C(CC1CCO)C3=C(C=C2)C4=CC=CC=C4N3 InChI=1S/C19H20N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-7,9,14,22H,8,10-12H2,1H3/p+1/b13-2- ICJZOHPEKMAUGQ-SILLCRNTSA-O Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00119 C21H24N2O4 16.74 C/C=C\1/CN2[C@H]3C[C@@H]1C([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(CO)C(=O)OC InChI=1S/C21H24N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,14,16-17,22,24H,8-11H2,1-2H3/b12-3-/t14-,16-,17-,19?,20-,21-/m0/s1 MPNPJQYCBQXPGW-SRTHRBEQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00120 C22H24N2O3 16.76 COC1=CC2=C(C=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5 InChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1 CAPUGADOGHKUQS-JPPAUQSISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Strychnos alkaloids (CHEMONTID:0002749) NA (NA) NA (NA) NA (NA) +0420_00121 C22H28N2O3 16.76 CC[C@H]1C[C@@H]2CC3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22?/m1/s1 MMAYTCMMKJYIAM-HRAXFBLQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00122 C22H28N2O3 16.78 CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1C(=COC)C(=O)OC)NC4=CC=CC=C34 InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/t14-,17+,20+/m1/s1 NMLUOJBSAYAYEM-LIVBEALHSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00123 C21H26N2O2 16.85 CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1 NVVDQMVGALBDGE-KSWFMABOSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00124 C44H54N4O6 16.9 C/C=C/1\CN2CC[C@@]34C2(CC[C@@H]1[C@H]3C(=O)OC)N(C5=C4C=C(C(=C5)C6=CC7=C(C=C6OC)N([C@@H]8[C@@]79CCN1C8C[C@H]([C@@H]9C(=O)OC)/C(=C\C)/C1)C)OC)C InChI=1S/C44H54N4O6/c1-9-24-22-47-15-13-42-30-17-28(36(52-6)21-32(30)45(3)39(42)34(47)18-27(24)37(42)40(49)53-7)29-19-33-31(20-35(29)51-5)43-14-16-48-23-25(10-2)26(38(43)41(50)54-8)11-12-44(43,48)46(33)4/h9-10,17,19-21,26-27,34,37-39H,11-16,18,22-23H2,1-8H3/b24-9-,25-10+/t26-,27-,34?,37+,38-,39-,42-,43-,44?/m0/s1 CVXODHBTCATAHB-VGGVLDFZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00125 C27H34N2O9 16.96 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=C(CCN2)C4=CC=CC=C4N3)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1 XBAMJZTXGWPTRM-NTXHKPOFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) NA (NA) NA (NA) +0420_00126 C23H28N2O5 17.02 C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC InChI=1S/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3/t12-,14-,16-,19+/m0/s1 FGWJRZQNNZVCHR-BCRCDCHUSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00127 C23H28N2O5 17.16 COC(=O)[C@@H]1C[C@]23CCC[N+]4([C@@H]2C5([C@]1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4)[O-] InChI=1S/C23H28N2O5/c1-29-18(26)16-14-21-8-5-12-25(28)13-11-22(19(21)25)15-6-3-4-7-17(15)24(20(27)30-2)23(16,22)10-9-21/h3-4,6-7,16,19H,5,8-14H2,1-2H3/t16-,19-,21+,22?,23+,25?/m0/s1 LUMKFAALHXMJDY-QWDSGGSMSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00128 C22H28N2O2 17.23 CN1C2=CC=CC=C2C34[C@]15CC[C@@]6([C@@H]3N(CCC6)CC4)C[C@H]5C(=O)OC InChI=1S/C22H28N2O2/c1-23-17-7-4-3-6-15(17)21-11-13-24-12-5-8-20(19(21)24)9-10-22(21,23)16(14-20)18(25)26-2/h3-4,6-7,16,19H,5,8-14H2,1-2H3/t16-,19-,20+,21?,22+/m0/s1 RRVQWUQWPISZCH-AJYWNGDCSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00129 C23H26N2O5 17.32 CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC InChI=1S/C23H26N2O5/c1-4-14-11-25-18-9-16(14)21(20(27)28-3,12-29-13(2)26)22-10-19(25)30-23(18,22)24-17-8-6-5-7-15(17)22/h4-8,16,18-19,24H,9-12H2,1-3H3 DXTJMQCRVFWNBD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00130 C41H48N4O4 17.38 C/C=C\1/CN2CC[C@@]34CC5C6CC7C8=C(CC(C6CO[C@@]5(O[C@@]39[C@@H]2C[C@@H]1[C@H](N9C1=CC=CC=C41)C(=O)OC)C)N7C)C1=CC=CC=C1N8C InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6-/t25-,26?,28?,30?,33?,34?,35-,37-,39+,40-,41-/m0/s1 XXNYZYBYNFRERU-UILZBOIPSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00131 C20H22N2O2 17.46 C/C=C\1/CN2CCC3=C4[C@@H]2C[C@@H]1[C@H](N4C5=CC=CC=C35)C(=O)OC InChI=1S/C20H22N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,15,17,19H,8-11H2,1-2H3/b12-3-/t15-,17-,19-/m0/s1 NTMOAQDHNZYZMZ-QWCNWJGKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00132 C19H26N2O 17.49 CC[C@]12CCCN[C@H]1N3C(=C(C4=CC=CC=C43)CCO)CC2 InChI=1S/C19H26N2O/c1-2-19-10-5-12-20-18(19)21-16-7-4-3-6-14(16)15(9-13-22)17(21)8-11-19/h3-4,6-7,18,20,22H,2,5,8-13H2,1H3/t18-,19+/m0/s1 CGWKMDYVWRDDRF-RBUKOAKNSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazanaphthalenes (CHEMONTID:0004788) Naphthyridines (CHEMONTID:0001857) NA (NA) NA (NA) +0420_00133 C43H52N4O5 17.52 CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]7C([C@@H](CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C(=O)OC InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1 VCMIRXRRQJNZJT-VRMHCKLLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00134 C21H24N2O3 17.54 C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1 GRTOGORTSDXSFK-XJTZBENFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00135 C34H38N2O7 17.77 C/C=C\1/CN2[C@H]3C[C@@H]1C4([C@@H]2CC5([C@@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)/C=C/C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC InChI=1S/C34H38N2O7/c1-7-20-18-36-24-16-22(20)34(32(38)42-6)27(36)17-33(21-10-8-9-11-23(21)35(2)30(24)33)31(34)43-28(37)13-12-19-14-25(39-3)29(41-5)26(15-19)40-4/h7-15,22,24,27,30-31H,16-18H2,1-6H3/b13-12+,20-7-/t22-,24-,27-,30+,31-,33?,34?/m0/s1 MMWULTFKKMQANL-HERIOXFGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00136 C43H52N4O4 17.96 CN1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)N[C@]56[C@]47CCN8[C@H]7[C@](CCC8)(CC5)CC6C(=O)O)C92C11CC[C@@]3([C@@H]9N(CCC3)CC2)CC1C(=O)OC InChI=1S/C43H52N4O4/c1-45-33-8-6-27(23-29(33)41-16-20-47-18-4-10-39(37(41)47)12-14-43(41,45)31(25-39)35(50)51-2)21-26-5-7-32-28(22-26)40-15-19-46-17-3-9-38(36(40)46)11-13-42(40,44-32)30(24-38)34(48)49/h5-8,22-23,30-31,36-37,44H,3-4,9-21,24-25H2,1-2H3,(H,48,49)/t30?,31?,36-,37-,38+,39+,40+,41?,42+,43?/m0/s1 STYFAKVWGOAWSV-KZXITOABSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00137 C19H22N2O3 18.12 CC[C@]12CCCN3[C@]1(C(=CC3=O)C4=CC=CC=C4NC(=O)CC2)O InChI=1S/C19H22N2O3/c1-2-18-9-5-11-21-17(23)12-14(19(18,21)24)13-6-3-4-7-15(13)20-16(22)8-10-18/h3-4,6-7,12,24H,2,5,8-11H2,1H3,(H,20,22)/t18-,19-/m1/s1 OXDBJKLQCGAPQX-RTBURBONSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Rhazinilam alkaloids (CHEMONTID:0002758) NA (NA) NA (NA) NA (NA) +0420_00138 C21H24N2O3 18.14 C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19+/m0/s1 GRTOGORTSDXSFK-BMYCAMMWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00139 C42H45N4O5 18.2 C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1[C@H](CC4=CN5C[C@H]6[C@@H](OC=C([C@H]6CC5=C7C4=C8C=CC=CC8=N7)C(=O)OC)C)C(=O)OC)[NH2+]C9=CC=CC=C39 InChI=1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/p+1/b24-5-/t23-,29-,30-,31-,32-,36-/m0/s1 QWAUBSSAJRGKPX-ZGDAPFEZSA-O Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00140 C21H24N2O2 18.23 CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1 FNGGIPWAZSFKCN-ACRUOGEOSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Plumeran-type alkaloids (CHEMONTID:0002672) NA (NA) NA (NA) NA (NA) +0420_00141 C20H15N3O 18.29 C=CC1=CN=CC2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 InChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2 FACXQEOSOVJIPD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00142 C21H24N2O3 18.31 CC=C1CN2CCC3=C([C@@H]2C[C@@H]1C(C=O)C(=O)OC)NC4=CC=CC=C34 InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3/t16-,17?,19-/m0/s1 AUOFTPXWUVYOOQ-VBIIVCKISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Corynanthean-type alkaloids (CHEMONTID:0002750) NA (NA) NA (NA) NA (NA) +0420_00143 C19H24N2O 18.5 C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@@H]2C1)NC4=CC=CC=C34 InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1 RYMNVEAAYOFGCI-DEYYWGMASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00144 C46H58N4O9 18.62 CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 JXLYSJRDGCGARV-XQKSVPLYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Vinca alkaloids (CHEMONTID:0002756) NA (NA) NA (NA) NA (NA) +0420_00145 C20H26N2O 18.63 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1 UCIDWKVIQZIKEK-NXWOVTFFSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00146 C41H50N4O2 18.73 CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)C6=CC7=C(C=C6)N([C@@]89[C@]71CCN2[C@H]1[C@@](CCC2)(CC8)C[C@H]9C(=O)OC)C InChI=1S/C41H50N4O2/c1-4-38-14-7-19-43-21-13-28-27-9-5-6-10-31(27)45(34(28)35(38)43)33(25-38)26-11-12-32-29(23-26)40-18-22-44-20-8-15-39(37(40)44)16-17-41(40,42(32)2)30(24-39)36(46)47-3/h5-6,9-12,23,30,33,35,37H,4,7-8,13-22,24-25H2,1-3H3/t30-,33-,35-,37-,38+,39-,40+,41-/m0/s1 VBJBARRYPHVIMK-PEBDCXOOSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00147 C19H24N2 19.49 C1CC23CCC4(CC2)[C@@]5([C@H]3N(C1)CC5)C6=CC=CC=C6N4 InChI=1S/C19H24N2/c1-2-5-15-14(4-1)19-11-13-21-12-3-6-17(16(19)21)7-9-18(19,20-15)10-8-17/h1-2,4-5,16,20H,3,6-13H2/t16-,17?,18?,19+/m0/s1 BIBZWCCWSCCFBB-MKCYZYCBSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00148 C45H56N4O4 19.52 CN1C2=C(C=C(C=C2)CC3=CC4=C(C=C3)N(C56C47CCN8[C@H]7[C@](CCC8)(CC5)CC6C(=O)OC)C)[C@@]92[C@]11CC[C@@]3([C@@H]9N(CCC3)CC2)CC1C(=O)OC InChI=1S/C45H56N4O4/c1-46-34-9-7-28(24-30(34)42-17-21-48-19-5-11-40(38(42)48)13-15-44(42,46)32(26-40)36(50)52-3)23-29-8-10-35-31(25-29)43-18-22-49-20-6-12-41(39(43)49)14-16-45(43,47(35)2)33(27-41)37(51)53-4/h7-10,24-25,32-33,38-39H,5-6,11-23,26-27H2,1-4H3/t32?,33?,38-,39-,40+,41+,42+,43?,44+,45?/m0/s1 RJJDPKDKAKXJTE-XUXMBKKXSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00149 C27H26N2O6 19.64 C/C=C\1/CN2CC[C@]34C5=C(C(=C(C=C5)O)O)C(=O)O[C@@]36[C@@H]2C[C@@H]1[C@H](N6C7=CC=CC=C47)C(=O)OC InChI=1S/C27H26N2O6/c1-3-14-13-28-11-10-26-16-6-4-5-7-18(16)29-22(25(33)34-2)15(14)12-20(28)27(26,29)35-24(32)21-17(26)8-9-19(30)23(21)31/h3-9,15,20,22,30-31H,10-13H2,1-2H3/b14-3-/t15-,20-,22-,26-,27-/m0/s1 AQFWYTNPVDQLGS-VBCBCQGPSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Pleiocarpaman alkaloids (CHEMONTID:0003762) NA (NA) NA (NA) NA (NA) +0420_00150 C21H26N2O3 19.99 CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1 RXPRRQLKFXBCSJ-GIVPXCGWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Eburnan-type alkaloids (CHEMONTID:0002671) NA (NA) NA (NA) NA (NA) +0420_00151 C17H14N2 21.48 CC1=C2C=CNC(=C2C=C3C1=NC4=CC=CC=C43)C InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,18H,1-2H3 WBGUTGOSUBJTJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) +0420_00152 C33H40N2O9 21.85 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 QEVHRUUCFGRFIF-MDEJGZGSSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00153 C20H13N3O 22.14 C1CN2C(=C3C=CC4=CN=CC(=C43)C2=O)C5=C1C6=CC=CC=C6N5 InChI=1S/C20H13N3O/c24-20-15-10-21-9-11-5-6-14(17(11)15)19-18-13(7-8-23(19)20)12-3-1-2-4-16(12)22-18/h1-6,9-10,22H,7-8H2 OLOYVFQOIBGLFJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00154 C30H34N2O5 22.61 C/C=C/1\CN2[C@H]3CC45[C@@H]([C@H]3[C@H]1CC2[C@@H]4N(C6=CC=CC=C56)C)OC(=O)C7=CC(=C(C(=C7)OC)OC)OC InChI=1S/C30H34N2O5/c1-6-16-15-32-21-13-18(16)25-22(32)14-30(19-9-7-8-10-20(19)31(2)27(21)30)28(25)37-29(33)17-11-23(34-3)26(36-5)24(12-17)35-4/h6-12,18,21-22,25,27-28H,13-15H2,1-5H3/b16-6+/t18-,21?,22-,25-,27-,28+,30?/m0/s1 JHWXXJLDNKFDNH-CYDJRZLLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ajmaline-sarpagine alkaloids (CHEMONTID:0001794) NA (NA) NA (NA) NA (NA) +0420_00155 C43H52N4O6 22.61 CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2=O)CCC4=C3NC5=CC(=C(C=C45)[C@H]6CC7[C@@H](CN(C([C@H]7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)C(=O)OC InChI=1S/C43H52N4O6/c1-7-22-15-24-20-43(42(50)53-6)38-26(13-14-47(39(22)43)40(24)48)28-17-29(35(51-4)19-33(28)45-38)30-16-27-23(8-2)21-46(3)34(36(27)41(49)52-5)18-31-25-11-9-10-12-32(25)44-37(30)31/h9-12,17,19,22-24,27,30,34,36,39,44-45H,7-8,13-16,18,20-21H2,1-6H3/t22-,23+,24+,27?,30+,34?,36-,39-,43+/m0/s1 GCFJFNCWQHDGOL-QTGVYYSLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Ibogan-type alkaloids (CHEMONTID:0002748) NA (NA) NA (NA) NA (NA) +0420_00156 C20H18N2O5 23.22 CCC1=C([C@](OC1=O)(C2=NC=CC3=C2NC4=CC=CC=C34)O)CC(=O)OC InChI=1S/C20H18N2O5/c1-3-11-14(10-16(23)26-2)20(25,27-19(11)24)18-17-13(8-9-21-18)12-6-4-5-7-15(12)22-17/h4-9,22,25H,3,10H2,1-2H3/t20-/m0/s1 RBLMMGLQKIXPQH-FQEVSTJZSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00157 C43H50N4O6 23.26 COC1=CC=CC2=C1N3C[C@]4(C[C@H]5[C@]3([C@]26CCN7[C@H]6[C@@]8(C5)CCO[C@H]8CC7)O)CN9CC[C@@]12[C@@H]9[C@@]3([C@H]4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1 IIMPGJMHQMBXKL-OPDPKHDKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00158 C21H20N2O5 24.09 COC(=O)N1C2=CC=CC=C2[C@]34[C@]15CC[C@@]6(C[C@H]5C(=O)O3)C=CC(=O)N6CC4 InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19+,20+,21+/m0/s1 STACHDUHGOCYFP-RKTMXUFFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) Indolecarboxylic acids (CHEMONTID:0002406) NA (NA) +0420_00159 C24H26N2O7 25.06 COC(=O)C1C[C@@]23CC[C@@]14C(CCN2C(=O)C=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16?,22-,23?,24+/m1/s1 VOHFPFMHDXIAOK-XSTYJVQFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolecarboxylic acids and derivatives (CHEMONTID:0002013) Indolecarboxylic acids (CHEMONTID:0002406) NA (NA) +0420_00160 C40H44N4O4 25.8 CC[C@]12C[C@H]3[C@H]4[C@@]5(C[C@@]67N4CC[C@@]8([C@@H]6N9[C@]3(O5)[C@@]3([C@H]1N(CC3)C[C@@H]1[C@H]2O1)C1=CC=CC=C19)C1=CC=CC=C1NC8=C(C7)C(=O)OC)CC InChI=1S/C40H44N4O4/c1-4-35-19-25-30-37(5-2)21-36-18-22(32(45)46-3)29-38(14-17-43(30)36,23-10-6-8-12-26(23)41-29)34(36)44-27-13-9-7-11-24(27)39(40(25,44)48-37)15-16-42(33(35)39)20-28-31(35)47-28/h6-13,25,28,30-31,33-34,41H,4-5,14-21H2,1-3H3/t25-,28+,30-,31+,33-,34+,35+,36+,37-,38+,39+,40+/m0/s1 FQDMJZBDZWLYDU-IVGBSQAQSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidospermatan-type alkaloids (CHEMONTID:0002755) NA (NA) NA (NA) NA (NA) +0420_00161 C26H30N2O8 26.66 C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4 InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1 LBRPLJCNRZUXLS-IUNANRIWSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00162 C26H30N2O8 26.86 C=C[C@@H]1[C@@H]2C[C@@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4 InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18-,19-,21-,22+,23-,25+,26+/m1/s1 LBRPLJCNRZUXLS-AZVRXDBZSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0420_00163 C23H28N2O4 26.94 COC(=O)[C@@H]1C[C@]23CCCN4[C@@H]2C5([C@]1(CC3)N(C6=CC=CC=C65)C(=O)OC)CC4 InChI=1S/C23H28N2O4/c1-28-18(26)16-14-21-8-5-12-24-13-11-22(19(21)24)15-6-3-4-7-17(15)25(20(27)29-2)23(16,22)10-9-21/h3-4,6-7,16,19H,5,8-14H2,1-2H3/t16-,19-,21+,22?,23+/m0/s1 SQVLFJQJOPEBAA-ARSIXMPYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Aspidofractine alkaloids (CHEMONTID:0003755) NA (NA) NA (NA) NA (NA) +0420_00164 C21H20N2O5 26.97 CCC1=C(C(OC1=O)(C2=NC=CC3=C2NC4=CC=CC=C34)OC)CC(=O)OC InChI=1S/C21H20N2O5/c1-4-12-15(11-17(24)26-2)21(27-3,28-20(12)25)19-18-14(9-10-22-19)13-7-5-6-8-16(13)23-18/h5-10,23H,4,11H2,1-3H3 SHQQHQZXMPJGOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Harmala alkaloids (CHEMONTID:0001140) NA (NA) NA (NA) NA (NA) +0420_00165 C20H16N2O4 27.21 CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 VSJKWCGYPAHWDS-FQEVSTJZSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Camptothecins (CHEMONTID:0000240) NA (NA) NA (NA) NA (NA) +0420_00166 C20H20N2O3 27.33 C[C@@H]1[C@H]([C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO1)C5=CC=CC=C5N4)C=O InChI=1S/C20H20N2O3/c1-11-15(9-23)14-8-18-19-13(12-4-2-3-5-17(12)21-19)6-7-22(18)20(24)16(14)10-25-11/h2-5,9-11,14-15,18,21H,6-8H2,1H3/t11-,14+,15-,18+/m1/s1 KCMWOWTUEWHAMM-OPNLHGRLSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00167 C21H22N2O4 28.08 COC1=CC2=C(C=C1)N([C@@]34[C@]25[C@@H]3C[C@]6(CC4)C=CC(=O)N6CC5)C(=O)OC InChI=1S/C21H22N2O4/c1-26-13-3-4-15-14(11-13)20-9-10-22-17(24)5-6-19(22)7-8-21(20,16(20)12-19)23(15)18(25)27-2/h3-6,11,16H,7-10,12H2,1-2H3/t16-,19+,20-,21+/m0/s1 KLGUGGCHIYKHRC-NASSWSRMSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Benzoquinolines (CHEMONTID:0001908) Acridines (CHEMONTID:0000274) NA (NA) +0420_00168 C22H28N2O3 28.84 CC1=CC2=C(C=C1)NC3=C2CCN4[C@H]3C[C@H]5[C@@H](C4)CC[C@@H](C5C(=O)OC)O InChI=1S/C22H28N2O3/c1-12-3-5-17-16(9-12)14-7-8-24-11-13-4-6-19(25)20(22(26)27-2)15(13)10-18(24)21(14)23-17/h3,5,9,13,15,18-20,23,25H,4,6-8,10-11H2,1-2H3/t13-,15+,18+,19+,20?/m1/s1 GELZMWSFAYTMRI-DEQNHLMWSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Yohimbine alkaloids (CHEMONTID:0001786) NA (NA) NA (NA) NA (NA) +0420_00169 C31H32N2O7 29.88 CC1[C@@]2(O1)CN([C@H]3C[C@@H]2[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)OC(=O)C5)(COC(=O)/C=C/C7=CC=CC=C7)C(=O)OC)C InChI=1S/C31H32N2O7/c1-19-29(39-19)17-33(2)24-15-23(29)28(27(36)37-3,18-38-25(34)14-13-20-9-5-4-6-10-20)30-16-26(35)40-31(24,30)32-22-12-8-7-11-21(22)30/h4-14,19,23-24,32H,15-18H2,1-3H3/b14-13+/t19?,23-,24+,28+,29+,30+,31+/m1/s1 XWJQTVCPYQVRPY-YEOJDRFQSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Carbazoles (CHEMONTID:0000210) NA (NA) NA (NA) diff --git a/processed_data/0420/0420_validation_qspr_outliers.tsv b/processed_data/0420/0420_validation_qspr_outliers.tsv new file mode 100644 index 000000000..e587a7f66 --- /dev/null +++ b/processed_data/0420/0420_validation_qspr_outliers.tsv @@ -0,0 +1,13 @@ +id error +0420_00009 7.201631500451883 +0420_00031 7.204499747248548 +0420_00033 12.318652845928932 +0420_00077 8.794758936794421 +0420_00160 7.358797556728149 +0420_00161 9.984997348965251 +0420_00162 10.18499734896525 +0420_00163 8.016733519690959 +0420_00165 8.482674469577088 +0420_00166 12.47007529721381 +0420_00168 14.589924492819502 +0420_00169 10.986055623814664 diff --git a/processed_data/0421/0421_descriptors_canonical_success.tsv b/processed_data/0421/0421_descriptors_canonical_success.tsv new file mode 100644 index 000000000..dafa1b607 --- /dev/null +++ b/processed_data/0421/0421_descriptors_canonical_success.tsv @@ -0,0 +1,118 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0421_00001 11.9933706814714 15.994919430272361 -0.3371084322741815 0.2310578429897966 5.043723785448624 9.000715923525108 0.46153846153846156 0.34600000000000003 235.32583703726291 0 7 2.4499999999999997 10 12 17 1 38 0 0 0.2113000000000007 0.0446476900000003 74.7388 0 1 1 1 1 0 0 0 1 0 0 0 0.24816252736238603 76 618 21 33.21771577759881 1.9539832810352242 11.262777132815746 2.54580396865171 8.716973164164035 5.08746284125034 58.36 0.8333333333333334 0.45454545454545453 0.25 3.509530701206646 0.8011887090291976 0 7.5346307552594425 8.270956754956645 0 1.3103706971044482 0 0 0 0 0 0 0.16666666666666669 0.1111111111111111 0 0.33333333333333337 0 0 0 0 0 0 0 2 0 4 0 0 4 0 0 0 1 2 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.058823529411764 8.16326530612245 5.444444444444445 0.46153846153846156 1172.04 0.35294117647058826 286 12.673362107437434 8.168233757796585 6.610661437975413 5.291790291476842 3.5160258978543544 2.367335613367723 1.5635919712282296 0.8635900917253422 10.570640356658142 6.030616735889546 3.9047920314903064 2.780887787206889 1.6039375492532468 0.8131724208341552 0.4015136091403558 0.2161639216266356 1.981054205485073 2.269275188341225 2.257540642584721 0.8060646353297619 0.8192051416571483 0.5271777915267584 0.895168206888927 0 0.11785113019775793 0 0.3887032975146728 0 0.017010345435994292 0 0 0 0 0.08333333333333333 0.13144585576580214 0 0 0 0.027777777777777776 0.02992639636637849 0 0 1 5 1 6 0 0 0 927.9415274538491 995.7997033480739 1201.407457790501 1129.478241891728 848.6457715455026 18.854409939370385 18.329183576215236 23.048827106462298 23.020983965395956 17.993367530480366 0.28549899071736495 -0.16660014173990492 0.013776230702243257 0.06731341032371432 -0.10439052740970631 2 4 25.895346999999997 40.984652999999994 +0421_00002 11.99337058949447 31.972072062965513 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1.1939925113581717 13.25603976132089 7.807896389005765 5.724804317019401 3.5337789350947304 2.420201815749074 1.5054106549854196 0.9986736953588158 0.6430677636599329 1.7242834560036207 2.6911541512114048 2.5986143189190596 0.6512329897123211 0.8509755956122587 0.736704103546498 1.4288690166235207 0 0 0 0.5550632163322078 0 0 0 0 0 0.11785113019775793 0.16666666666666666 0.16596365263022675 0 0 0.034020690871988585 0.048112522432468816 0.05723141505823216 0 0 2 4 0 4 0 0 0 1213.6339058949125 1296.9901113213273 1554.1151865018194 1352.2402975231228 1306.8604646054894 30.89108135017877 27.44013302294789 33.297481274621006 30.775791880653426 32.21656953240577 0.4297507586056117 -0.19215786645494834 -0.1280025098801808 0.15887975089372292 -0.015397894995022917 2 4 32.802553999999994 47.25544599999999 +0421_00003 11.953004382206906 31.972071837014404 -0.3998887670339712 0.36886765146096906 3.9086271407945627 9.979316255421615 0.5 1.0249999999999995 252.34071526434658 0 7 1.79 6 12 17 3 33 0 0 -0.44950000000000023 0.2020502500000002 72.63959999999999 0 1 1 1 1 0 0 1 0 0 0 0 0.43591094557916393 74 664 18 33.3144923288677 1.9596760193451588 20.061197082267313 0 17.041676307751413 5.08746284125034 109.9 0.8333333333333334 0.45454545454545453 0.09999999999999998 1.9144534938893847 1.6509636244473136 0 2.5831392619736713 4.514741907570281 0 0.8630543739971821 0 0 0 0 0 0 0.9764757707782162 0 2.2171576442906757 0 0 0 0 0 0 0 0 2 0 3 0 0 1 0 0 1 1 2 0 0 0 0 0 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.058823529411764 9 5.928166351606805 0.5555555555555556 817.07 0.29411764705882354 301 12.510225400620904 8.274386907679233 6.369226469174019 5.000679844822932 3.6282403347509433 2.0795159180144105 1.1573569043840914 0.7409691639577684 10.765056270640732 6.354065601847295 4.367781697180005 3.0802088940534387 2.050346182064971 1.2358034922611982 0.760645948533492 0.430951696695151 1.5130193370866851 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b/processed_data/0421/0421_descriptors_isomeric_success.tsv @@ -0,0 +1,118 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 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5,15,35,54,79,122,134,144,153,169,170,175,190,194,206,207,224,227,251,292,298,310,347,381,390,405,461,516,524,530,555,578,582,592,626,649,686,708,709,714,753,773,779,789,800,811,812,814,837,931,933,934,948,973,977 +0421_00023 15,19,25,103,120,131,134,177,182,220,233,237,252,254,334,367,376,405,480,487,502,516,550,569,576,649,746,749,772,773,781,824,826,882,898,948,968,970 +0421_00024 9,67,84,131,134,153,207,245,262,266,268,273,311,316,317,319,326,377,390,404,405,422,461,471,474,488,508,519,524,554,576,585,603,626,629,686,738,779,785,794,803,861,944,948,968,969,984 +0421_00025 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0421_00026 15,26,57,68,89,109,130,134,144,153,175,196,209,220,222,237,260,269,336,347,416,421,423,473,487,505,515,520,540,542,549,550,587,626,653,654,670,687,725,747,772,778,781,834,847,855,889,905,921,929,948,968,1010 +0421_00027 34,62,71,96,114,134,144,145,153,243,270,311,335,360,391,392,394,405,421,447,487,504,550,580,585,588,605,623,655,670,674,683,686,702,715,844,847,870,922,948,968,988 +0421_00028 4,9,15,20,67,88,101,134,153,175,191,237,260,264,347,396,398,425,505,508,510,515,524,527,530,549,563,591,605,705,727,733,755,777,778,801,837,844,871,948,954,968,994,1020 +0421_00029 67,78,134,153,245,262,266,268,311,316,317,319,326,377,403,404,405,422,426,461,488,508,524,545,554,585,603,626,629,666,686,738,803,830,944,948,968,969,973,984,989 +0421_00030 34,71,96,114,134,144,153,216,243,260,270,281,311,335,347,360,391,392,394,405,447,487,504,505,549,550,580,585,605,623,643,655,666,670,683,686,687,702,715,778,812,844,847,922,948,968,980,988 +0421_00031 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0421_00032 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0421_00033 15,82,96,134,144,145,153,178,182,214,227,243,293,297,298,335,337,373,381,387,400,410,421,434,437,453,461,485,487,529,549,550,552,578,597,622,626,663,673,678,734,744,773,784,824,829,862,948,956,968,983,999,1007 +0421_00034 20,69,134,146,201,233,236,249,278,280,343,405,407,425,481,493,508,516,555,595,631,670,686,727,762,773,777,780,874,948,960,965,1011 +0421_00035 15,20,31,62,68,89,96,97,128,132,134,145,146,153,167,181,187,207,278,286,323,326,332,347,419,421,425,437,453,461,487,508,512,513,536,550,572,576,601,613,626,647,727,737,762,778,780,789,824,826,832,841,863,904,919,942,948,956,964,968,974,983,994,1000,1009 +0421_00036 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0421_00037 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0421_00038 20,67,94,134,153,235,245,262,266,268,270,311,316,317,319,347,377,404,405,422,461,480,488,508,524,554,585,603,626,629,679,686,727,738,803,836,875,919,944,948,968,969,984,1024 +0421_00039 1,11,15,26,29,31,40,44,55,73,89,96,134,151,152,153,160,175,185,212,222,225,227,228,237,245,271,341,391,398,419,422,430,465,473,491,515,521,524,527,540,550,551,597,626,635,640,655,673,676,687,734,762,772,792,818,824,827,850,855,928,947,968,1016,1020 +0421_00040 15,20,62,85,89,94,95,96,114,118,120,134,145,151,212,236,266,272,298,347,394,421,445,449,482,487,508,524,530,550,596,614,626,641,661,677,686,727,729,762,772,788,833,844,848,897,898,946,948,964,968,979,1004 +0421_00041 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0421_00042 14,34,48,63,129,134,153,186,220,234,260,267,286,313,326,330,339,347,350,356,393,405,413,420,421,437,451,454,458,505,506,508,515,542,549,550,560,580,585,596,605,615,626,638,650,662,664,669,681,710,719,724,744,758,778,787,797,812,848,889,897,928,939,947,948,968 +0421_00043 19,39,49,134,149,174,182,195,207,220,296,314,326,330,367,387,395,405,410,443,479,487,550,634,643,662,771,781,787,802,948,968,989,991,1014 +0421_00044 15,20,22,43,56,62,67,89,113,134,146,153,163,175,182,220,237,278,280,293,319,347,366,367,430,473,475,480,487,502,508,516,524,550,578,647,649,671,712,727,748,772,777,778,781,798,826,852,899,948,954,968,994,1008 +0421_00045 1,15,66,73,84,89,96,134,142,145,152,175,234,263,298,309,355,358,380,421,439,461,487,498,514,521,524,550,564,565,592,593,602,671,686,755,782,793,800,843,845,904,908,929,948,961,968,1023 +0421_00046 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0421_00047 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0421_00048 1,15,26,44,96,134,153,195,248,309,329,344,356,387,395,405,459,479,487,498,550,559,662,714,787,830,834,873,876,898,948,968,973,994 +0421_00049 15,20,21,74,89,96,128,134,144,145,146,177,214,237,254,270,280,297,306,347,355,373,393,421,437,440,458,487,491,508,550,621,626,641,643,645,654,666,678,727,762,772,784,809,883,885,901,937,948,968,983 +0421_00050 15,20,61,84,89,96,116,120,134,144,145,164,180,186,214,215,254,270,297,329,347,355,373,421,437,440,475,487,491,508,550,564,621,626,654,666,678,727,746,762,772,784,786,796,885,936,948,956,968,983,1003 +0421_00051 20,51,96,134,144,145,153,154,207,214,341,345,421,481,487,508,538,550,588,602,640,678,718,723,724,727,784,802,833,910,919,936,948,968,991,999,1012,1018,1024 +0421_00052 63,73,89,96,134,145,168,245,264,341,380,421,458,461,487,506,508,514,521,534,550,592,662,671,675,683,707,815,836,900,935,936,968 +0421_00053 15,20,89,96,128,134,144,145,146,153,214,237,254,270,280,293,297,306,347,355,373,421,437,440,461,478,487,491,508,550,594,617,621,626,641,643,654,657,666,678,692,727,762,772,784,809,818,885,891,901,911,948,962,968,983,994 +0421_00054 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0421_00055 20,90,109,134,146,226,236,246,259,276,287,310,405,407,425,451,481,502,508,517,524,595,610,631,656,686,727,762,773,791,823,874,930,948,962,1012 +0421_00056 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0421_00057 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0421_00058 9,20,24,48,62,91,134,151,153,216,219,221,222,265,301,336,345,347,367,430,433,481,508,515,532,540,544,550,560,624,635,652,670,705,727,778,800,826,844,852,879,887,897,924,948,968,969,987,991,994,1005,1023 +0421_00059 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0421_00060 26,96,120,134,138,145,153,156,186,223,245,273,275,339,353,420,421,473,487,506,508,540,550,559,662,730,731,889,948,954,968,981,994,999 +0421_00061 14,20,62,134,136,144,151,153,159,212,219,222,265,301,341,347,351,360,394,430,466,488,508,516,518,523,530,544,550,635,655,665,670,683,727,751,778,826,844,847,863,879,897,948,954,968,994 +0421_00062 4,96,134,153,181,206,207,257,292,313,326,347,376,390,408,474,487,519,549,550,576,626,705,709,738,739,763,778,779,800,813,831,845,948,968 +0421_00063 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0421_00064 1,20,67,72,104,134,153,205,243,245,266,316,319,377,405,416,417,422,461,466,483,497,508,524,530,556,576,585,603,632,650,658,686,715,727,748,762,778,784,808,825,852,865,916,948,968,969,975,982,995 +0421_00065 4,6,20,96,105,121,134,153,181,183,206,207,257,292,341,347,376,390,395,408,472,481,487,508,519,544,549,550,626,705,727,738,739,763,778,779,788,800,802,813,831,948,968,987 +0421_00066 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0421_00067 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0421_00068 20,29,67,96,97,134,144,153,191,196,220,242,254,257,308,311,425,439,443,458,482,487,498,508,513,515,524,548,550,561,606,612,635,655,658,670,719,727,734,748,762,773,778,797,824,835,844,846,847,897,927,931,948,960,962,968,969,985,1006 +0421_00069 67,96,97,134,144,153,191,196,220,242,254,403,425,439,482,487,513,524,550,612,655,658,670,719,734,748,773,778,797,835,844,846,847,948,960,962,968,969,985,1006 +0421_00070 11,15,20,21,30,58,89,96,134,144,145,153,210,214,217,237,238,244,248,270,278,307,328,347,353,373,421,430,450,457,466,473,479,487,508,544,550,560,626,678,706,718,727,737,772,784,788,823,833,840,919,948,968,979,994,1005,1015 +0421_00071 8,20,70,86,96,118,134,178,180,194,207,278,326,374,391,392,400,405,407,444,446,448,449,452,454,487,508,516,524,542,550,555,571,580,585,605,626,631,632,633,640,641,663,670,685,686,702,714,727,773,798,829,842,848,948,965,968,971,987 +0421_00072 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0421_00073 15,20,55,89,96,134,145,153,187,241,260,297,298,378,392,417,421,487,550,581,583,585,617,643,670,681,691,705,796,819,897,898,909,948,953,968,983,994,996,1022 +0421_00074 15,20,51,84,89,95,96,134,150,153,187,207,234,248,267,285,347,401,430,435,445,461,487,495,508,513,544,550,572,578,588,594,633,641,718,724,727,748,802,833,840,875,908,919,948,964,968,980,1010,1022 +0421_00075 29,55,62,91,96,122,134,144,145,153,186,199,210,241,254,270,272,288,310,347,398,405,407,421,430,451,452,462,487,513,524,550,578,588,592,596,604,612,654,655,670,714,761,775,778,800,813,836,844,847,851,874,889,948,968,981,1006 +0421_00076 15,20,24,26,90,96,134,145,153,184,222,237,265,314,347,353,373,381,387,410,421,430,433,487,508,540,544,550,555,571,593,652,670,687,727,754,760,776,780,826,830,844,852,853,867,889,914,948,968,970,987,991,994,997 +0421_00077 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0421_00078 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0421_00079 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0421_00080 15,20,24,57,63,83,89,93,96,134,146,153,155,207,212,237,265,298,301,342,347,430,433,445,461,487,489,508,519,537,544,550,560,563,577,588,605,616,636,652,657,670,719,725,727,729,730,739,772,781,782,816,835,844,852,853,863,906,935,945,948,968,987,989,990,991,994 +0421_00081 20,62,67,72,78,104,134,153,170,205,217,243,245,246,266,268,316,317,319,377,405,416,417,422,461,466,483,488,497,508,524,530,544,545,554,556,585,603,629,632,650,658,686,715,727,748,762,778,784,806,852,865,948,968,969,994 +0421_00082 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0421_00083 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0421_00084 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0421_00085 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0421_00086 5,15,20,26,34,47,89,119,134,144,153,165,206,222,245,260,285,288,290,302,326,361,368,395,408,430,443,450,452,477,490,492,496,499,502,503,508,513,516,517,519,566,574,614,626,647,656,727,741,744,768,772,819,830,836,840,855,898,900,916,920,926,934,936,938,948,964,968,995,1014 +0421_00087 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0421_00088 3,6,10,15,20,25,26,45,51,58,89,99,101,134,135,139,146,148,197,211,219,222,225,245,246,259,283,288,289,300,310,337,347,349,351,357,369,387,399,401,405,418,436,461,492,496,499,508,513,517,532,534,540,549,578,603,713,727,737,772,819,822,829,870,930,946,948,949,963,968,969,1014,1015,1018,1022 +0421_00089 15,20,25,26,89,98,134,150,153,161,181,198,245,255,260,285,290,293,302,315,326,329,369,408,415,443,444,450,452,477,492,499,500,501,508,513,523,566,574,591,626,658,702,712,727,763,772,782,783,855,866,877,891,898,904,920,926,934,936,948,964,968,972,973,981,996,1005,1014,1022 +0421_00090 19,35,47,48,53,57,89,103,134,138,180,223,242,245,259,335,339,417,434,441,453,461,472,506,508,524,539,550,552,574,619,626,637,642,657,662,663,666,681,682,744,748,749,764,771,776,792,798,806,836,850,879,880,913,928,936,968,989,992,998,1023 +0421_00091 8,20,57,96,118,134,145,150,180,194,213,217,241,272,278,318,326,359,374,391,392,405,423,444,448,449,454,487,496,508,516,524,550,580,585,605,610,626,631,632,640,641,654,670,686,702,714,727,798,816,829,832,842,889,948,965,968 +0421_00092 15,19,35,48,57,132,134,138,180,201,223,242,245,250,259,335,339,361,385,417,434,439,441,453,459,461,506,508,524,539,550,552,619,637,642,657,662,663,676,680,681,688,727,748,749,757,771,776,792,798,806,850,913,926,936,968,989,992,998,1023 +0421_00093 8,20,57,65,89,96,118,134,145,150,194,213,217,218,241,249,270,272,278,318,326,359,374,391,393,405,423,448,454,457,487,496,508,516,524,550,575,580,610,626,631,640,641,654,676,686,702,714,727,798,816,829,832,889,947,948,965,968,1002 +0421_00094 14,15,20,26,32,36,89,94,97,134,140,148,153,177,214,222,237,239,245,283,288,301,302,308,318,320,321,357,363,365,370,395,397,399,412,419,452,480,492,499,508,513,530,558,567,614,622,626,631,648,720,727,739,752,772,787,824,845,855,875,898,916,948,949,955,968,1014,1022 +0421_00095 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0421_00096 15,20,21,25,26,61,89,102,125,127,134,150,153,184,197,216,245,255,269,285,290,291,296,303,315,326,343,352,384,404,408,413,443,444,450,452,461,477,492,495,499,508,513,517,523,529,533,566,574,626,629,727,741,748,768,772,782,793,799,813,819,829,836,840,854,880,898,924,926,934,936,948,964,968,970,995,1005,1014,1022 +0421_00097 15,52,96,133,134,145,146,172,197,236,245,249,285,311,335,421,437,442,461,487,508,532,534,535,550,555,569,615,632,656,674,681,745,815,833,842,931,932,936,948,968,987,1001,1012 +0421_00098 12,15,73,79,84,89,96,108,129,134,145,185,187,192,217,244,245,256,257,268,272,278,282,290,332,380,422,439,442,445,461,487,498,503,504,506,508,512,515,524,540,542,550,555,616,642,652,654,662,664,677,686,714,718,721,722,726,729,741,761,764,786,792,797,842,849,910,922,943,948,950,968,973,997,1012 +0421_00099 96,99,134,145,146,156,172,203,220,226,236,242,249,255,301,335,354,405,407,421,461,472,479,481,487,508,532,535,550,558,601,681,710,864,874,893,930,936,948,958,968,976,980,987,992,1009 +0421_00100 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0421_00101 47,62,73,83,89,96,134,140,145,153,204,245,286,300,367,405,421,459,487,496,508,518,524,550,572,582,588,598,620,626,640,676,677,733,778,799,802,826,860,943,947,948,967,968,994,999,1008 +0421_00102 15,20,21,25,26,31,62,89,102,125,127,134,150,153,197,245,255,269,284,285,290,292,303,315,326,343,384,407,408,413,443,444,450,452,461,477,492,499,508,513,517,523,529,533,547,566,574,626,629,711,712,727,731,768,772,782,790,805,813,819,829,836,839,840,852,880,898,924,926,934,936,948,964,968,974,994,995,1000,1005,1008,1014,1022,1023 +0421_00103 15,21,26,39,77,89,94,118,134,137,146,153,160,172,197,200,201,236,245,335,343,347,429,451,461,481,499,508,532,534,543,550,555,586,656,674,745,746,772,792,800,815,835,878,932,936,944,948,963,967,968 +0421_00104 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0421_00105 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0421_00106 8,12,20,27,57,96,118,134,145,150,175,194,213,217,220,241,272,278,281,318,326,354,359,374,391,405,423,430,454,461,487,496,508,513,516,524,550,610,626,629,640,641,654,686,689,714,727,816,829,830,832,850,889,900,948,968,969,980 +0421_00107 20,74,95,96,122,133,134,145,146,153,156,172,203,220,226,236,242,249,251,255,294,301,335,354,366,373,405,421,439,461,472,477,487,508,516,532,535,550,601,681,693,710,727,864,879,930,936,938,948,958,968,976,980,987,992,994,1009 +0421_00108 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0421_00109 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +0421_00110 3,10,14,15,18,20,23,25,26,89,107,122,133,134,148,161,177,203,211,214,219,222,236,245,246,265,283,288,308,325,345,351,357,399,429,443,461,487,492,499,508,513,532,534,540,547,562,590,602,603,677,727,745,758,762,770,772,788,898,915,946,947,948,963,968,969,977,1014,1015,1022 +0421_00111 15,26,32,58,83,89,95,128,130,134,148,153,161,195,207,222,239,240,245,247,252,281,288,357,368,393,412,414,437,440,442,452,486,492,499,508,513,556,557,574,626,635,688,690,716,721,756,766,772,793,804,850,851,855,885,906,916,936,946,948,968,977,1009,1016,1022 +0421_00112 4,20,23,43,62,134,137,153,159,175,201,226,270,281,283,306,347,353,366,408,435,497,508,515,516,518,530,531,549,550,556,606,626,640,662,666,705,706,727,734,755,778,781,826,834,858,870,912,918,948,968,994,1007 +0421_00113 4,20,23,43,64,65,134,137,153,154,159,175,201,207,226,254,270,281,306,312,347,353,366,408,411,423,435,481,497,508,515,516,518,530,531,549,550,606,626,640,666,698,705,706,724,727,729,734,778,802,830,834,850,858,870,912,948,965,968,991 +0421_00114 15,26,32,83,89,95,128,134,148,151,153,195,222,238,239,245,247,252,281,288,344,357,368,423,442,452,475,484,486,492,495,508,513,559,563,574,597,626,635,642,690,716,718,721,730,733,756,766,772,793,804,812,851,855,906,916,936,948,968,994,1009,1022 +0421_00115 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0421_00116 5,15,19,20,21,25,26,37,89,107,115,117,119,131,134,144,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,349,351,357,399,401,408,414,450,459,492,499,503,508,513,517,558,565,566,580,581,603,626,643,647,656,666,727,742,744,772,819,836,840,849,855,898,900,915,936,948,968,977,982,996,1014,1018,1022 +0421_00117 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 diff --git a/processed_data/0421/0421_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0421/0421_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..323bfa7a3 --- /dev/null +++ b/processed_data/0421/0421_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,118 @@ +id bits.on +0421_00001 20,24,48,134,153,176,201,222,270,285,297,305,360,374,444,445,481,508,516,550,553,585,605,617,635,652,670,716,727,844,852,862,873,887,897,903,948,968,987,994 +0421_00002 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0421_00003 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0421_00004 29,91,131,134,153,306,408,466,468,487,513,515,550,565,586,626,640,642,660,676,781,792,833,919,933,943,948,968,978,994 +0421_00005 24,67,78,134,153,176,245,262,266,268,311,316,317,319,333,377,395,404,405,422,426,461,488,508,524,545,554,585,603,629,652,670,686,690,738,795,803,844,852,860,944,948,968,969,984,987,994 +0421_00006 1,11,15,26,41,42,50,54,89,109,134,159,173,175,222,226,231,253,276,285,291,318,331,332,353,374,401,437,444,461,473,478,496,512,524,534,537,540,550,557,561,592,626,631,640,666,686,713,717,739,764,774,838,891,893,905,936,948,968,970,994,1014 +0421_00007 20,74,109,134,144,159,260,331,344,347,386,482,487,508,515,520,532,550,581,594,599,640,660,670,713,721,727,781,825,833,901,905,919,933,948,961,968 +0421_00008 20,44,109,134,144,158,219,235,260,295,316,347,369,487,508,520,550,581,587,594,599,609,670,708,727,734,790,810,825,843,890,901,905,917,948,968 +0421_00009 13,15,73,89,96,134,145,191,246,282,376,380,405,421,461,477,481,487,529,534,550,592,599,631,841,887,897,953,960,968 +0421_00010 62,87,96,134,141,145,153,207,230,270,363,421,481,487,550,558,588,676,802,917,948,968,989 +0421_00011 8,9,15,26,62,67,96,115,134,137,145,153,159,175,178,199,216,220,222,226,245,270,288,324,421,461,462,487,508,524,550,588,651,662,719,786,792,830,851,872,909,910,917,963,968,994,1009 +0421_00012 20,38,88,134,153,189,220,226,278,280,307,314,330,335,353,366,367,415,419,502,508,516,550,583,592,596,626,640,652,666,670,677,727,742,772,852,862,897,911,927,948,968,987,994 +0421_00013 15,43,73,88,89,96,111,134,145,175,177,215,252,255,380,405,421,423,447,458,487,492,524,550,592,604,638,665,728,740,773,884,931,965,968,1024 +0421_00014 12,15,20,85,89,96,128,132,134,145,146,153,167,171,207,213,257,296,326,333,339,347,349,367,387,421,437,461,487,494,500,508,540,550,559,572,576,601,626,647,727,742,744,749,762,784,789,818,863,871,923,947,948,956,964,968,974,983,1009 +0421_00015 20,47,54,96,114,134,145,153,167,207,239,243,245,263,270,299,314,326,385,405,419,421,432,441,487,508,512,536,545,550,576,585,601,616,626,647,653,670,675,707,727,852,889,894,895,914,935,948,968,994,1000 +0421_00016 15,20,27,80,89,96,111,128,132,134,145,146,153,167,207,249,273,286,307,326,347,411,417,419,421,437,472,487,508,512,536,550,562,572,576,601,614,626,647,727,762,772,802,824,825,863,904,905,919,942,948,949,964,968,983,1000 +0421_00017 6,15,44,58,62,67,96,106,118,134,145,153,179,245,254,262,266,270,311,326,377,404,405,421,432,439,451,487,508,511,524,525,550,574,585,588,603,613,615,626,639,642,652,658,666,670,686,738,764,803,821,844,851,852,860,926,932,944,948,958,961,968,969,987,994,998 +0421_00018 1,15,20,33,89,111,134,158,188,223,240,259,262,341,346,353,357,389,414,481,495,508,515,524,553,567,626,640,648,686,713,727,738,744,770,818,834,849,898,899,908,936,948,968,993,998,1006 +0421_00019 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0421_00020 15,20,22,60,89,134,175,182,220,237,278,280,293,316,319,347,367,453,454,473,480,487,502,508,516,524,550,644,647,649,666,671,686,727,748,772,777,781,793,883,929,948,954,968,1008 +0421_00021 15,20,23,32,60,89,96,122,129,134,138,145,167,172,207,226,233,237,276,300,347,404,421,427,473,487,508,523,549,550,601,647,662,697,727,764,772,785,804,863,888,918,948,968,1001 +0421_00022 5,15,27,35,54,79,122,134,144,153,170,175,190,194,206,207,227,251,292,298,310,344,347,381,390,405,461,516,524,530,555,582,592,626,686,708,709,714,753,773,779,789,800,810,811,812,814,837,931,933,934,948,973,977 +0421_00023 15,19,25,103,120,131,134,177,182,220,233,237,252,254,334,367,376,405,480,487,502,516,550,569,576,649,746,749,772,773,781,824,826,882,898,948,968,970 +0421_00024 9,67,84,131,134,153,207,245,262,266,268,273,311,316,317,319,326,377,390,404,405,422,461,471,474,488,508,519,524,554,576,585,603,626,629,686,738,779,785,794,803,861,944,948,968,969,984 +0421_00025 67,134,245,250,266,311,317,377,404,405,422,479,508,515,517,524,585,603,614,662,681,686,738,754,787,852,923,935,948,968,984,999,1010 +0421_00026 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0421_00027 34,62,71,96,114,134,144,145,153,243,270,311,335,360,391,392,394,405,421,447,487,504,550,580,585,588,605,623,655,670,674,683,686,702,715,844,847,870,922,948,968,988 +0421_00028 4,9,15,20,67,88,101,134,153,175,191,237,260,264,347,396,398,425,505,508,510,515,524,527,530,549,563,591,605,705,727,733,755,777,778,801,837,844,871,948,954,968,994,1020 +0421_00029 67,78,134,153,245,262,266,268,311,316,317,319,326,377,403,404,405,422,426,461,488,508,524,545,554,585,603,626,629,666,686,738,803,830,944,948,968,969,973,984,989 +0421_00030 34,71,96,114,134,144,153,216,243,260,270,281,311,335,347,360,391,392,394,405,447,487,504,505,549,550,580,585,605,623,643,655,666,670,683,686,687,702,715,778,812,844,847,922,948,968,980,988 +0421_00031 1,41,67,134,189,205,216,245,246,316,319,337,382,384,405,422,430,461,506,508,524,533,576,582,585,595,662,672,686,806,808,948,968,969,982 +0421_00032 15,20,26,66,90,96,134,135,145,153,169,175,222,241,308,347,353,381,410,421,423,487,496,505,508,524,540,544,550,641,663,686,727,792,830,853,854,856,889,914,948,968,994,997 +0421_00033 15,82,96,134,144,145,153,178,182,214,227,243,293,297,298,335,337,373,381,387,400,410,421,434,437,453,461,485,487,529,549,550,552,578,597,622,626,663,673,678,734,744,773,784,824,829,862,948,956,968,983,999,1007 +0421_00034 20,69,134,146,201,233,236,249,278,280,343,405,407,425,481,493,508,516,555,595,631,670,686,727,762,773,777,780,874,948,960,965,1011 +0421_00035 12,15,20,62,89,91,96,97,128,132,134,141,145,146,153,167,207,208,213,296,323,326,333,347,349,367,387,393,421,437,453,461,487,494,500,508,540,550,572,576,601,626,647,673,727,742,747,749,762,778,780,784,789,792,826,841,863,871,923,947,948,956,964,968,974,983,994,1009 +0421_00036 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0421_00037 20,81,116,134,147,153,159,170,272,295,385,389,393,401,405,451,487,508,545,550,585,605,670,707,725,727,745,852,897,898,922,948,968,994 +0421_00038 20,67,94,134,153,235,245,262,266,268,270,311,316,317,319,347,377,404,405,422,461,480,488,508,524,554,585,603,626,629,679,686,727,738,803,836,875,919,944,948,968,969,984,1024 +0421_00039 1,11,15,26,29,44,55,73,89,96,98,113,134,152,153,154,160,175,185,212,222,224,227,237,267,271,341,394,405,419,429,430,465,473,478,515,524,530,533,540,550,626,635,640,665,673,676,687,710,772,792,818,827,855,890,947,951,954,956,962,968,986,1011,1016 +0421_00040 15,20,89,94,95,96,99,118,134,145,151,185,212,266,272,298,307,345,347,355,359,394,421,445,460,466,478,487,508,524,550,551,580,626,653,677,686,692,709,714,727,729,762,772,849,877,886,897,898,933,948,964,968 +0421_00041 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0421_00042 14,34,48,63,129,134,153,186,220,234,260,267,286,313,326,330,339,347,350,356,393,405,413,420,421,437,451,454,458,505,506,508,515,542,549,550,560,580,585,596,605,615,626,638,650,662,664,669,681,710,719,724,744,758,778,787,797,812,848,889,897,928,939,947,948,968 +0421_00043 19,39,49,134,149,174,182,195,207,220,296,314,326,330,367,387,395,405,410,443,479,487,550,634,643,662,771,781,787,802,948,968,989,991,1014 +0421_00044 15,20,22,43,56,62,67,89,113,134,146,153,163,175,182,220,237,278,280,293,319,347,366,367,430,473,475,480,487,502,508,516,524,550,578,647,649,671,712,727,748,772,777,778,781,798,826,852,899,948,954,968,994,1008 +0421_00045 1,15,66,73,84,89,96,134,142,145,152,175,234,263,298,309,355,358,380,421,439,461,487,498,514,521,524,550,564,565,592,593,602,671,686,755,782,793,800,843,845,904,908,929,948,961,968,1023 +0421_00046 15,62,66,96,107,134,136,145,153,161,175,207,230,231,237,270,315,351,365,392,421,476,487,500,522,523,524,550,558,588,925,948,954,968,989,994 +0421_00047 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0421_00048 1,15,26,44,96,134,153,195,248,309,329,344,356,387,395,405,459,479,487,498,550,559,662,714,787,830,834,873,876,898,948,968,973,994 +0421_00049 15,20,21,74,89,96,128,134,144,145,146,177,214,237,254,270,280,297,306,347,355,373,393,421,437,440,458,487,491,508,550,621,626,641,643,645,654,666,678,727,762,772,784,809,883,885,901,937,948,968,983 +0421_00050 15,20,61,84,89,96,116,120,134,144,145,164,180,186,214,215,254,270,297,329,347,355,373,421,437,440,475,487,491,508,550,564,621,626,654,666,678,727,746,762,772,784,786,796,885,936,948,956,968,983,1003 +0421_00051 20,51,96,134,144,145,153,154,207,214,341,345,421,481,487,508,538,550,588,602,640,678,718,723,724,727,784,802,833,910,919,936,948,968,991,999,1012,1018,1024 +0421_00052 63,73,89,96,134,145,168,245,264,341,380,421,458,461,487,506,508,514,521,534,550,592,662,671,675,683,707,815,836,900,935,936,968 +0421_00053 15,20,89,96,128,134,144,145,146,153,214,237,254,270,280,293,297,306,347,355,373,421,437,440,461,478,487,491,508,550,594,617,621,626,641,643,654,657,666,678,692,727,762,772,784,809,818,885,891,901,911,948,962,968,983,994 +0421_00054 15,21,53,62,107,134,146,147,153,158,161,172,175,180,182,220,236,245,249,254,310,347,349,357,358,374,381,398,405,412,430,454,479,505,506,508,515,524,532,549,550,582,584,592,593,595,610,615,641,653,654,662,686,693,700,705,706,709,727,729,750,779,786,800,817,854,863,869,873,948,955,958,962,966,968,969,977,979,994,1000,1002,1018,1019 +0421_00055 20,90,109,134,146,226,236,246,259,276,287,310,405,407,425,451,481,502,508,517,524,595,610,631,656,686,727,762,773,791,823,874,930,948,962,1012 +0421_00056 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0421_00057 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0421_00058 9,20,24,48,62,91,134,151,153,216,219,221,222,265,301,336,345,347,367,430,433,481,508,515,532,540,544,550,560,624,635,652,670,705,727,778,800,826,844,852,879,887,897,924,948,968,969,987,991,994,1005,1023 +0421_00059 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0421_00060 26,96,120,134,138,145,153,156,186,223,245,273,275,339,353,420,421,473,487,506,508,540,550,559,662,730,731,889,948,954,968,981,994,999 +0421_00061 14,20,62,134,136,144,151,153,159,212,219,222,265,301,341,347,351,360,394,430,466,488,508,516,518,523,530,544,550,635,655,665,670,683,727,751,778,826,844,847,863,879,897,948,954,968,994 +0421_00062 4,96,134,153,181,206,207,257,292,313,326,347,376,390,408,474,487,519,549,550,576,626,705,709,738,739,763,778,779,800,813,831,845,948,968 +0421_00063 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0421_00064 1,20,67,72,104,134,153,205,243,245,266,316,319,377,405,416,417,422,461,466,483,497,508,524,530,556,576,585,603,632,650,658,686,715,727,748,762,778,784,808,825,852,865,916,948,968,969,975,982,995 +0421_00065 4,6,20,96,105,121,134,153,181,183,206,207,257,292,341,347,376,390,395,408,472,481,487,508,519,544,549,550,626,705,727,738,739,763,778,779,788,800,802,813,831,948,968,987 +0421_00066 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0421_00067 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0421_00068 20,29,67,96,97,134,144,153,191,196,220,242,254,257,308,311,425,439,443,458,482,487,498,508,513,515,524,548,550,561,606,612,635,655,658,670,719,727,734,748,762,773,778,797,824,835,844,846,847,897,927,931,948,960,962,968,969,985,1006 +0421_00069 67,96,97,134,144,153,191,196,220,242,254,403,425,439,482,487,513,524,550,612,655,658,670,719,734,748,773,778,797,835,844,846,847,948,960,962,968,969,985,1006 +0421_00070 11,15,20,21,30,58,89,96,134,144,145,153,210,214,217,237,238,244,248,270,278,307,328,347,353,373,421,430,450,457,466,473,479,487,508,544,550,560,626,678,706,718,727,737,772,784,788,823,833,840,919,948,968,979,994,1005,1015 +0421_00071 8,20,70,86,96,118,134,178,180,194,207,278,326,374,391,392,400,405,407,444,446,448,449,452,454,487,508,516,524,542,550,555,571,580,585,605,626,631,632,633,640,641,663,670,685,686,702,714,727,773,798,829,842,848,948,965,968,971,987 +0421_00072 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0421_00073 15,20,55,89,96,134,145,153,187,241,260,297,298,378,392,417,421,487,550,581,583,585,617,643,670,681,691,705,796,819,897,898,909,948,953,968,983,994,996,1022 +0421_00074 15,20,51,84,89,95,96,134,150,153,187,207,234,248,267,285,347,401,430,435,445,461,487,495,508,513,544,550,572,578,588,594,633,641,718,724,727,748,802,833,840,875,908,919,948,964,968,980,1010,1022 +0421_00075 29,55,62,91,96,122,134,144,145,153,186,199,210,241,254,270,272,288,310,347,398,405,407,421,430,451,452,462,487,513,524,550,578,588,592,596,604,612,654,655,670,714,761,775,778,800,813,836,844,847,851,874,889,948,968,981,1006 +0421_00076 15,20,24,26,90,96,134,145,153,184,222,237,265,314,347,353,373,381,387,410,421,430,433,487,508,540,544,550,555,571,593,652,670,687,727,754,760,776,780,826,830,844,852,853,867,889,914,948,968,970,987,991,994,997 +0421_00077 1,15,35,64,96,134,144,153,160,200,206,215,218,251,272,309,487,498,507,542,550,554,654,655,662,670,714,742,763,835,842,844,847,850,902,948,968,1003,1022 +0421_00078 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0421_00079 47,62,96,114,120,134,144,145,148,153,160,187,204,207,213,221,230,245,270,298,334,335,337,353,399,421,459,472,479,487,508,512,523,524,525,550,558,564,572,588,603,670,686,725,779,802,806,839,852,918,943,948,968,977,989,1000 +0421_00080 15,20,24,57,63,83,89,93,96,134,146,153,155,207,212,237,265,298,301,342,347,430,433,445,461,487,489,508,519,537,544,550,560,563,577,588,605,616,636,652,657,670,719,725,727,729,730,739,772,781,782,816,835,844,852,853,863,906,935,945,948,968,987,989,990,991,994 +0421_00081 20,62,67,72,78,104,134,153,170,205,217,243,245,246,266,268,316,317,319,377,405,416,417,422,461,466,483,488,497,508,524,530,544,545,554,556,585,603,629,632,650,658,686,715,727,748,762,778,784,806,852,865,948,968,969,994 +0421_00082 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0421_00083 15,20,25,26,36,61,85,89,129,134,139,148,153,164,222,245,255,290,294,305,315,325,326,350,358,408,413,452,476,477,499,508,513,517,523,527,566,574,592,614,626,640,681,684,727,730,766,772,784,790,801,819,822,835,843,852,855,862,898,925,926,927,934,936,948,968,1005,1009,1022 +0421_00084 15,20,21,25,26,36,61,85,89,117,129,134,139,148,153,164,208,216,222,245,255,290,302,305,315,326,332,358,371,401,408,409,440,452,458,477,499,508,513,566,574,584,592,614,626,648,653,681,684,713,727,751,772,782,801,804,843,852,855,862,898,926,934,943,948,968,973,1005,1022 +0421_00085 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0421_00086 15,20,26,36,45,60,61,76,85,89,92,129,134,139,153,200,222,245,260,290,302,305,326,358,372,384,408,413,452,461,476,477,499,508,513,516,517,523,527,566,574,583,592,594,614,626,640,681,727,730,732,772,790,801,819,830,843,852,855,862,878,898,916,925,926,934,936,948,964,968,991,1009 +0421_00087 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0421_00088 3,9,15,20,25,26,63,85,89,134,147,148,150,156,186,211,222,238,245,292,300,310,328,347,351,357,358,390,399,401,459,461,462,464,466,473,491,499,502,508,513,517,532,534,540,549,553,562,587,603,621,635,654,689,724,727,769,772,787,801,819,820,829,858,867,888,906,909,946,948,949,963,968,969,987,1015,1022 +0421_00089 15,20,25,26,85,88,89,108,117,134,148,153,164,216,226,241,245,255,260,261,290,302,315,326,332,358,371,408,409,440,452,455,458,459,477,499,508,513,566,574,592,600,614,626,648,649,653,679,684,727,751,772,782,804,843,845,855,890,898,926,934,943,948,964,965,968,973,1005,1022 +0421_00090 19,35,47,48,53,57,89,103,134,138,180,223,242,245,259,335,339,417,434,441,453,461,472,506,508,524,539,550,552,574,619,626,637,642,657,662,663,666,681,682,744,748,749,764,771,776,792,798,806,836,850,879,880,913,928,936,968,989,992,998,1023 +0421_00091 8,20,57,96,118,134,145,150,180,194,213,217,241,272,278,318,326,359,374,391,392,405,423,444,448,449,454,487,496,508,516,524,550,580,585,605,610,626,631,632,640,641,654,670,686,702,714,727,798,816,829,832,842,889,948,965,968 +0421_00092 15,19,35,48,57,132,134,138,180,201,223,242,245,250,259,335,339,361,385,417,434,439,441,453,459,461,506,508,524,539,550,552,619,637,642,657,662,663,676,680,681,688,727,748,749,757,771,776,792,798,806,850,913,926,936,968,989,992,998,1023 +0421_00093 8,20,57,65,89,96,118,134,145,150,194,213,217,218,241,249,270,272,278,318,326,359,374,391,393,405,423,448,454,457,487,496,508,516,524,550,575,580,610,626,631,640,641,654,676,686,702,714,727,798,816,829,832,889,947,948,965,968,1002 +0421_00094 12,14,15,20,26,55,72,85,89,92,94,124,134,135,148,153,162,175,222,234,239,245,249,254,283,316,318,321,324,357,358,396,399,452,455,480,499,504,508,513,530,558,587,603,626,631,703,724,727,741,752,755,772,778,787,801,803,805,812,855,875,948,968,983,1016,1019,1022 +0421_00095 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0421_00096 15,20,25,26,61,85,89,98,134,148,153,164,184,189,222,226,229,245,255,276,284,289,290,315,325,326,358,387,404,408,413,445,452,461,476,477,499,508,513,517,527,536,537,558,566,574,592,614,626,627,650,684,715,727,761,766,772,784,790,801,819,822,829,835,843,859,898,909,925,926,927,934,936,948,964,968,1005,1009,1022 +0421_00097 15,52,96,133,134,145,146,172,197,236,245,249,285,311,335,421,437,442,461,487,508,532,534,535,550,555,569,615,632,656,674,681,745,815,833,842,931,932,936,948,968,987,1001,1012 +0421_00098 15,72,73,84,89,96,108,112,129,134,185,187,192,228,245,256,268,272,278,282,288,290,332,380,422,439,442,445,461,487,498,503,504,506,508,512,515,524,540,542,550,593,616,642,652,654,662,664,677,686,714,718,722,729,734,741,756,786,797,820,842,847,849,863,910,933,943,948,950,968,973,998,1012,1017 +0421_00099 96,99,134,145,146,156,172,203,220,226,236,242,249,255,301,335,354,405,407,421,461,472,479,481,487,508,532,535,550,558,601,681,710,864,874,893,930,936,948,958,968,976,980,987,992,1009 +0421_00100 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0421_00101 47,62,73,83,89,96,134,140,145,153,204,245,286,300,367,405,421,459,487,496,508,518,524,550,572,582,588,598,620,626,640,676,677,733,778,799,802,826,860,943,947,948,967,968,994,999,1008 +0421_00102 15,20,25,26,62,85,89,98,109,134,148,153,164,189,226,229,245,255,290,292,303,315,325,326,358,408,413,422,452,461,476,477,499,508,513,517,527,537,548,558,566,574,581,592,614,621,626,650,684,715,727,766,768,772,784,801,803,819,822,829,835,839,843,857,898,909,925,926,927,934,936,948,964,968,974,982,994,1000,1003,1005,1008,1009,1016,1022,1023 +0421_00103 15,21,26,39,77,89,94,118,134,137,146,153,160,172,197,200,201,236,245,335,343,347,429,451,461,481,499,508,532,534,543,550,555,586,656,674,745,746,772,792,800,815,835,878,932,936,944,948,963,967,968 +0421_00104 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0421_00105 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0421_00106 8,12,20,27,57,96,118,134,145,150,175,194,213,217,220,241,272,278,281,318,326,354,359,374,391,405,423,430,454,461,487,496,508,513,516,524,550,610,626,629,640,641,654,686,689,714,727,816,829,830,832,850,889,900,948,968,969,980 +0421_00107 20,74,95,96,122,133,134,145,146,153,156,172,203,220,226,236,242,249,251,255,294,301,335,354,366,373,405,421,439,461,472,477,487,508,516,532,535,550,601,681,693,710,727,864,879,930,936,938,948,958,968,976,980,987,992,994,1009 +0421_00108 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0421_00109 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +0421_00110 3,15,20,25,26,72,75,85,89,93,131,134,138,148,211,222,245,264,281,316,334,351,357,358,381,399,443,461,462,485,499,508,513,532,534,540,562,569,587,603,626,632,642,663,727,755,758,762,767,769,771,772,795,801,870,875,915,936,945,947,948,963,968,969,987,992,1015,1016,1019,1022 +0421_00111 3,15,18,26,38,46,55,58,69,70,71,85,89,130,134,148,153,195,222,239,243,245,247,252,254,344,357,368,442,452,454,461,499,502,508,513,522,538,556,557,571,574,626,634,635,679,690,691,721,756,766,772,794,801,804,822,850,851,855,906,946,948,968,983,985,1022 +0421_00112 4,20,23,43,62,134,137,153,159,175,201,226,270,281,283,306,347,353,366,408,435,497,508,515,516,518,530,531,549,550,556,606,626,640,662,666,705,706,727,734,755,778,781,826,834,858,870,912,918,948,968,994,1007 +0421_00113 4,20,23,43,64,65,134,137,153,154,159,175,201,207,226,254,270,281,306,312,347,353,366,408,411,423,435,481,497,508,515,516,518,530,531,549,550,606,626,640,666,698,705,706,724,727,729,734,778,802,830,834,850,858,870,912,948,965,968,991 +0421_00114 15,26,34,38,55,64,65,85,89,134,140,148,153,195,204,222,239,245,247,252,254,303,340,344,357,368,388,442,451,452,454,508,513,552,555,559,574,626,634,635,690,721,756,766,772,794,801,804,822,851,855,869,906,948,964,968,983,985,994,999,1022 +0421_00115 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0421_00116 15,20,25,26,36,37,72,85,89,102,115,119,129,131,134,141,144,148,153,205,211,222,233,245,255,272,305,315,349,350,351,357,358,399,408,413,459,469,499,508,513,517,523,527,566,603,610,626,643,681,704,709,710,727,730,755,766,768,772,774,790,801,819,822,836,849,852,855,862,915,936,948,954,968,977,982,1009,1018,1019,1022 +0421_00117 15,20,26,41,45,54,62,79,89,91,94,134,151,153,209,240,267,270,271,282,283,338,350,353,382,412,441,449,456,461,495,499,507,508,515,573,601,612,626,640,668,704,715,727,746,759,767,772,778,784,786,797,817,826,830,844,941,948,963,968,977,993,994,1000,1009,1022 diff --git a/processed_data/0421/0421_fingerprints_maccs_canonical_success.tsv b/processed_data/0421/0421_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..b5b635211 --- /dev/null +++ b/processed_data/0421/0421_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,118 @@ +id bits.on +0421_00001 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00002 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0421_00003 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0421_00004 30,49,74,85,86,93,97,100,112,113,114,115,122,127,133,135,139,141,143,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0421_00005 37,38,65,75,77,79,80,83,85,86,89,92,93,95,96,97,98,100,105,106,108,110,111,113,114,116,117,120,121,122,127,129,136,137,138,141,142,143,144,147,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00006 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0421_00007 23,30,49,74,85,86,93,97,106,110,112,113,117,122,123,126,127,133,135,141,142,143,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00008 23,49,65,74,75,85,86,93,95,98,106,110,113,117,121,122,123,126,127,137,141,142,143,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00009 37,57,62,77,78,83,84,90,91,95,96,100,106,110,117,119,120,121,132,133,137,142,151,152,153,156,157,158,161,162,163,164,165 +0421_00010 84,104,111,115,151,155,156,158,160,161,162,163,165 +0421_00011 23,57,66,75,82,83,85,86,90,91,95,96,97,98,100,105,106,110,111,112,117,118,120,121,122,123,127,128,129,132,137,138,142,143,145,147,148,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0421_00012 53,79,85,86,91,92,95,97,100,104,110,111,113,114,116,117,122,127,131,132,133,135,138,139,141,142,143,144,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00013 36,47,62,77,78,79,81,83,85,86,88,96,100,101,105,106,111,119,120,121,122,128,129,137,138,142,147,148,153,156,158,161,162,163,165 +0421_00014 16,19,22,30,49,57,74,75,82,83,85,86,89,93,95,96,97,98,101,105,109,111,112,116,120,121,122,123,126,127,132,137,139,140,143,145,146,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00015 65,82,85,86,89,92,97,98,100,109,110,114,116,117,121,122,125,128,137,138,139,142,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00016 19,30,49,74,75,82,83,85,89,93,96,97,98,105,108,109,111,112,116,121,122,123,126,127,128,129,132,137,139,141,143,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00017 37,38,65,75,77,79,80,82,83,85,86,89,91,92,93,95,96,97,98,100,104,105,106,108,109,110,111,113,114,116,117,118,120,121,122,125,127,128,129,132,136,137,138,139,141,142,143,144,145,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00018 37,52,75,77,79,83,84,85,86,93,94,95,96,97,100,104,105,106,110,113,115,117,119,121,122,124,127,131,132,133,135,137,139,142,143,144,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00019 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00020 75,79,85,86,90,91,92,93,95,98,100,108,110,111,115,116,117,118,121,122,129,133,135,137,141,142,144,145,147,148,149,150,151,153,154,156,158,160,161,162,163,164,165 +0421_00021 82,90,91,93,97,98,100,104,111,118,121,123,126,129,137,145,147,151,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00022 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0421_00023 36,47,77,78,81,88,90,91,98,100,106,111,118,119,120,121,133,135,137,138,142,144,145,147,149,150,151,153,156,158,160,161,162,163,165 +0421_00024 37,38,54,65,72,75,77,79,80,82,83,85,89,90,92,93,95,96,97,98,100,104,105,106,109,110,113,117,120,121,122,127,131,132,136,137,138,139,140,142,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00025 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00026 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00027 38,65,74,77,79,85,86,93,98,100,111,115,116,121,122,125,129,133,135,137,138,142,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00028 75,83,85,86,89,93,96,100,111,113,118,121,122,126,127,128,129,132,137,138,140,141,143,144,146,147,148,149,150,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00029 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,109,110,111,113,117,120,121,122,127,132,136,137,138,139,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00030 38,65,74,77,79,85,86,93,98,100,111,113,115,116,121,122,125,126,127,129,133,135,137,138,141,142,143,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0421_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00032 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00033 30,36,49,57,66,75,81,83,85,86,88,90,93,95,96,97,98,100,104,109,111,112,115,116,118,120,121,122,128,129,132,137,138,139,145,147,148,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00034 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0421_00035 16,19,22,30,49,57,75,82,83,85,86,89,93,95,96,97,98,100,101,105,108,109,111,112,114,115,116,118,120,121,122,123,126,127,128,129,132,137,138,139,140,143,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00036 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0421_00037 65,80,85,86,92,97,98,100,110,114,116,117,121,122,137,138,142,148,149,153,154,155,156,158,160,161,162,163,164,165 +0421_00038 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,104,105,106,110,113,117,120,121,122,123,127,132,136,137,139,140,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00039 11,66,75,85,86,90,91,95,98,100,101,104,105,111,112,113,118,121,122,127,128,129,131,132,137,138,139,143,144,145,147,148,152,153,155,156,157,158,159,161,162,163,164,165 +0421_00040 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00041 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00042 47,51,59,60,61,64,65,67,73,77,79,81,82,83,88,89,90,93,95,96,97,98,102,105,106,108,109,111,113,116,120,121,124,125,126,127,131,132,137,138,139,140,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0421_00043 65,77,79,83,96,120,121,137,141,142,144,149,150,151,156,160,161,162,163,165 +0421_00044 75,79,85,86,90,91,92,95,98,100,110,111,114,115,116,117,118,121,122,128,129,133,135,137,138,141,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00045 57,62,75,85,86,93,95,100,101,105,109,111,115,116,120,121,122,125,129,132,137,138,144,145,147,148,152,153,157,158,160,161,162,163,164,165 +0421_00046 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0421_00047 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0421_00048 62,65,66,77,79,83,90,96,105,112,114,116,120,121,137,142,144,151,155,156,160,161,162,163,165 +0421_00049 30,49,66,72,74,75,85,86,93,95,98,100,108,111,112,115,116,118,121,122,123,125,126,127,129,132,137,138,139,143,145,146,147,148,149,152,153,154,157,158,159,160,161,162,163,164,165 +0421_00050 30,49,66,72,75,85,86,93,95,98,100,105,111,112,115,116,118,121,122,123,125,126,127,129,132,137,138,139,143,145,146,147,148,152,153,154,157,158,159,160,161,162,163,164,165 +0421_00051 30,49,66,74,84,85,86,90,91,92,93,100,108,110,111,112,115,116,117,122,125,141,142,145,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00052 37,43,57,62,72,77,78,83,89,92,95,96,97,106,110,117,119,120,121,127,131,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0421_00053 30,49,66,72,75,85,86,93,95,98,100,108,111,112,114,115,116,118,121,122,123,125,126,127,128,129,132,137,138,139,143,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00054 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00055 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,75,77,78,79,80,81,83,84,88,92,93,94,95,96,97,102,106,110,112,117,119,120,121,122,124,130,133,135,136,137,142,144,146,148,149,150,151,154,156,158,159,160,161,162,164,165 +0421_00056 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0421_00057 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0421_00058 84,85,86,91,95,100,108,109,111,113,114,115,116,118,122,123,126,127,129,132,133,135,138,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00059 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00060 37,43,53,62,66,77,80,89,90,92,97,98,106,110,112,114,117,120,121,127,131,136,137,142,143,145,146,150,151,154,155,156,158,159,160,161,162,163,164,165 +0421_00061 74,82,85,86,90,93,95,100,104,109,111,114,115,116,118,122,123,126,132,133,135,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00062 54,72,82,89,90,93,104,109,113,126,127,131,132,138,139,140,143,144,146,150,152,153,155,157,159,160,162,163,164,165 +0421_00063 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0421_00064 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00065 23,72,84,89,90,93,104,106,109,110,113,117,123,126,127,131,132,138,139,140,143,144,146,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00066 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00067 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00068 36,59,74,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,135,137,138,141,142,144,145,147,148,149,152,153,154,155,156,158,160,161,162,163,164,165 +0421_00069 36,59,74,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00070 30,49,66,72,85,86,90,91,93,95,100,108,109,111,112,114,115,116,118,122,123,126,129,132,138,139,141,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00071 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00072 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00073 30,49,50,75,76,83,85,86,96,99,100,108,111,112,114,116,121,122,125,128,129,137,138,141,145,147,148,149,150,153,155,156,158,160,161,162,163,165 +0421_00074 30,49,57,74,85,86,93,95,98,100,105,108,109,111,112,113,115,116,122,123,125,126,132,137,138,141,144,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00075 52,65,74,75,80,83,85,86,92,93,94,95,96,97,100,105,108,109,110,111,113,115,116,117,118,120,121,122,124,125,126,127,132,137,138,142,143,145,147,148,149,153,155,156,157,158,160,161,162,163,164,165 +0421_00076 62,66,72,85,86,95,96,100,108,109,111,112,114,116,118,122,123,126,128,129,132,138,146,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00077 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0421_00078 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00079 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0421_00080 57,83,85,86,95,96,100,105,108,109,111,114,116,118,122,123,125,126,128,129,132,137,138,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00081 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,114,115,116,117,118,120,121,122,127,129,132,136,137,138,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00082 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00083 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00084 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00085 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00086 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00087 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0421_00088 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00089 26,50,53,66,72,76,82,89,90,91,96,99,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00090 24,37,49,52,53,54,56,57,62,63,70,71,72,75,77,78,79,80,83,89,92,94,95,96,97,102,106,110,117,119,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0421_00091 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,88,89,92,93,94,95,97,98,99,102,105,106,110,112,117,120,121,122,124,125,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00092 24,37,49,52,56,57,62,63,70,71,75,77,78,79,80,83,89,90,92,94,95,96,97,100,102,104,106,110,111,117,119,120,121,122,124,127,130,132,133,135,136,137,140,142,143,146,148,150,151,152,153,154,156,158,159,161,162,163,164,165 +0421_00093 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,88,89,92,93,94,95,97,98,99,102,105,106,110,112,113,117,120,121,122,124,125,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00094 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0421_00095 65,83,85,90,91,95,96,97,100,101,105,111,121,122,123,136,137,139,144,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0421_00096 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00097 50,51,55,57,58,59,60,61,62,64,67,73,76,81,83,88,93,96,99,102,109,112,123,124,125,127,130,136,137,140,143,145,146,148,150,153,154,157,159,160,162,163,164,165 +0421_00098 28,57,62,65,72,75,79,83,85,86,90,91,92,93,95,96,98,100,105,108,109,110,111,113,115,117,120,121,122,123,125,127,128,132,136,137,138,140,142,143,144,145,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00099 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,84,88,94,96,97,102,106,112,117,120,121,124,125,130,136,137,142,144,145,146,148,150,151,152,156,159,160,161,162,163,164,165 +0421_00100 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0421_00101 52,62,75,80,83,89,92,94,95,96,97,110,113,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,139,142,143,145,146,147,148,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00102 26,50,57,66,72,76,82,83,89,91,96,99,101,104,105,108,109,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00103 22,50,51,55,57,58,59,60,61,62,64,66,67,72,73,74,76,81,83,88,89,93,96,99,102,109,112,123,124,126,127,130,136,137,140,141,143,146,148,149,150,152,153,154,155,157,159,160,162,163,164,165 +0421_00104 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00105 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00106 32,33,36,38,45,51,53,55,57,58,59,60,61,65,67,71,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00107 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,88,89,92,94,96,97,102,104,106,110,111,112,114,117,120,121,124,125,130,132,136,137,140,142,144,145,146,148,149,150,151,152,154,155,156,158,159,160,161,162,163,164,165 +0421_00108 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0421_00109 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00110 26,50,57,64,66,76,81,83,88,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00111 26,34,50,66,76,90,91,96,99,104,105,108,112,116,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0421_00112 72,82,90,91,92,93,100,104,108,110,111,113,114,115,116,117,118,126,127,128,129,131,132,139,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00113 72,74,82,90,91,92,93,99,100,104,108,110,111,113,117,118,126,127,128,129,131,132,139,141,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00114 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0421_00115 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0421_00116 26,50,66,72,74,76,81,88,90,91,96,99,104,105,108,112,115,116,118,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00117 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0421/0421_fingerprints_maccs_isomeric_success.tsv b/processed_data/0421/0421_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..b5b635211 --- /dev/null +++ b/processed_data/0421/0421_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,118 @@ +id bits.on +0421_00001 79,82,84,85,86,91,92,100,104,108,110,111,114,116,117,122,129,131,133,135,138,142,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00002 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0421_00003 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0421_00004 30,49,74,85,86,93,97,100,112,113,114,115,122,127,133,135,139,141,143,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0421_00005 37,38,65,75,77,79,80,83,85,86,89,92,93,95,96,97,98,100,105,106,108,110,111,113,114,116,117,120,121,122,127,129,136,137,138,141,142,143,144,147,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00006 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,127,128,129,131,137,139,143,144,145,146,147,148,152,153,156,157,158,159,160,161,162,163,164,165 +0421_00007 23,30,49,74,85,86,93,97,106,110,112,113,117,122,123,126,127,133,135,141,142,143,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00008 23,49,65,74,75,85,86,93,95,98,106,110,113,117,121,122,123,126,127,137,141,142,143,148,149,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00009 37,57,62,77,78,83,84,90,91,95,96,100,106,110,117,119,120,121,132,133,137,142,151,152,153,156,157,158,161,162,163,164,165 +0421_00010 84,104,111,115,151,155,156,158,160,161,162,163,165 +0421_00011 23,57,66,75,82,83,85,86,90,91,95,96,97,98,100,105,106,110,111,112,117,118,120,121,122,123,127,128,129,132,137,138,142,143,145,147,148,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0421_00012 53,79,85,86,91,92,95,97,100,104,110,111,113,114,116,117,122,127,131,132,133,135,138,139,141,142,143,144,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00013 36,47,62,77,78,79,81,83,85,86,88,96,100,101,105,106,111,119,120,121,122,128,129,137,138,142,147,148,153,156,158,161,162,163,165 +0421_00014 16,19,22,30,49,57,74,75,82,83,85,86,89,93,95,96,97,98,101,105,109,111,112,116,120,121,122,123,126,127,132,137,139,140,143,145,146,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00015 65,82,85,86,89,92,97,98,100,109,110,114,116,117,121,122,125,128,137,138,139,142,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00016 19,30,49,74,75,82,83,85,89,93,96,97,98,105,108,109,111,112,116,121,122,123,126,127,128,129,132,137,139,141,143,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00017 37,38,65,75,77,79,80,82,83,85,86,89,91,92,93,95,96,97,98,100,104,105,106,108,109,110,111,113,114,116,117,118,120,121,122,125,127,128,129,132,136,137,138,139,141,142,143,144,145,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00018 37,52,75,77,79,83,84,85,86,93,94,95,96,97,100,104,105,106,110,113,115,117,119,121,122,124,127,131,132,133,135,137,139,142,143,144,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00019 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00020 75,79,85,86,90,91,92,93,95,98,100,108,110,111,115,116,117,118,121,122,129,133,135,137,141,142,144,145,147,148,149,150,151,153,154,156,158,160,161,162,163,164,165 +0421_00021 82,90,91,93,97,98,100,104,111,118,121,123,126,129,137,145,147,151,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00022 33,36,38,54,57,58,62,65,66,67,72,74,75,77,79,80,82,83,85,86,88,90,92,94,95,96,97,98,100,104,109,110,111,112,113,116,117,118,120,121,122,124,126,127,129,130,131,132,133,135,137,138,139,141,142,143,144,146,147,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0421_00023 36,47,77,78,81,88,90,91,98,100,106,111,118,119,120,121,133,135,137,138,142,144,145,147,149,150,151,153,156,158,160,161,162,163,165 +0421_00024 37,38,54,65,72,75,77,79,80,82,83,85,89,90,92,93,95,96,97,98,100,104,105,106,109,110,113,117,120,121,122,127,131,132,136,137,138,139,140,142,143,144,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00025 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00026 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00027 38,65,74,77,79,85,86,93,98,100,111,115,116,121,122,125,129,133,135,137,138,142,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00028 75,83,85,86,89,93,96,100,111,113,118,121,122,126,127,128,129,132,137,138,140,141,143,144,146,147,148,149,150,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00029 37,38,65,75,77,79,80,82,83,85,89,92,93,95,96,97,98,100,104,105,106,109,110,111,113,117,120,121,122,127,132,136,137,138,139,142,143,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00030 38,65,74,77,79,85,86,93,98,100,111,113,115,116,121,122,125,126,127,129,133,135,137,138,141,142,143,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0421_00031 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00032 62,66,75,85,86,93,98,100,109,111,112,114,115,116,118,121,122,123,126,128,129,137,138,145,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00033 30,36,49,57,66,75,81,83,85,86,88,90,93,95,96,97,98,100,104,109,111,112,115,116,118,120,121,122,128,129,132,137,138,139,145,147,148,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00034 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0421_00035 16,19,22,30,49,57,75,82,83,85,86,89,93,95,96,97,98,100,101,105,108,109,111,112,114,115,116,118,120,121,122,123,126,127,128,129,132,137,138,139,140,143,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00036 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0421_00037 65,80,85,86,92,97,98,100,110,114,116,117,121,122,137,138,142,148,149,153,154,155,156,158,160,161,162,163,164,165 +0421_00038 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,104,105,106,110,113,117,120,121,122,123,127,132,136,137,139,140,142,143,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00039 11,66,75,85,86,90,91,95,98,100,101,104,105,111,112,113,118,121,122,127,128,129,131,132,137,138,139,143,144,145,147,148,152,153,155,156,157,158,159,161,162,163,164,165 +0421_00040 19,75,83,85,89,91,93,96,97,98,105,108,111,116,121,122,123,126,127,128,129,132,136,137,139,140,143,145,146,147,148,150,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00041 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00042 47,51,59,60,61,64,65,67,73,77,79,81,82,83,88,89,90,93,95,96,97,98,102,105,106,108,109,111,113,116,120,121,124,125,126,127,131,132,137,138,139,140,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0421_00043 65,77,79,83,96,120,121,137,141,142,144,149,150,151,156,160,161,162,163,165 +0421_00044 75,79,85,86,90,91,92,95,98,100,110,111,114,115,116,117,118,121,122,128,129,133,135,137,138,141,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00045 57,62,75,85,86,93,95,100,101,105,109,111,115,116,120,121,122,125,129,132,137,138,144,145,147,148,152,153,157,158,160,161,162,163,164,165 +0421_00046 75,83,85,86,96,100,108,111,114,115,118,121,122,128,129,137,138,147,148,153,155,156,158,160,161,162,163,165 +0421_00047 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0421_00048 62,65,66,77,79,83,90,96,105,112,114,116,120,121,137,142,144,151,155,156,160,161,162,163,165 +0421_00049 30,49,66,72,74,75,85,86,93,95,98,100,108,111,112,115,116,118,121,122,123,125,126,127,129,132,137,138,139,143,145,146,147,148,149,152,153,154,157,158,159,160,161,162,163,164,165 +0421_00050 30,49,66,72,75,85,86,93,95,98,100,105,111,112,115,116,118,121,122,123,125,126,127,129,132,137,138,139,143,145,146,147,148,152,153,154,157,158,159,160,161,162,163,164,165 +0421_00051 30,49,66,74,84,85,86,90,91,92,93,100,108,110,111,112,115,116,117,122,125,141,142,145,147,148,149,151,153,154,155,156,158,160,161,162,163,164,165 +0421_00052 37,43,57,62,72,77,78,83,89,92,95,96,97,106,110,117,119,120,121,127,131,133,137,142,143,150,151,152,154,156,157,158,159,161,162,163,164,165 +0421_00053 30,49,66,72,75,85,86,93,95,98,100,108,111,112,114,115,116,118,121,122,123,125,126,127,128,129,132,137,138,139,143,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00054 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00055 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,75,77,78,79,80,81,83,84,88,92,93,94,95,96,97,102,106,110,112,117,119,120,121,122,124,130,133,135,136,137,142,144,146,148,149,150,151,154,156,158,159,160,161,162,164,165 +0421_00056 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0421_00057 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0421_00058 84,85,86,91,95,100,108,109,111,113,114,115,116,118,122,123,126,127,129,132,133,135,138,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00059 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00060 37,43,53,62,66,77,80,89,90,92,97,98,106,110,112,114,117,120,121,127,131,136,137,142,143,145,146,150,151,154,155,156,158,159,160,161,162,163,164,165 +0421_00061 74,82,85,86,90,93,95,100,104,109,111,114,115,116,118,122,123,126,132,133,135,138,141,142,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00062 54,72,82,89,90,93,104,109,113,126,127,131,132,138,139,140,143,144,146,150,152,153,155,157,159,160,162,163,164,165 +0421_00063 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0421_00064 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,115,116,117,118,120,121,122,127,129,132,136,137,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00065 23,72,84,89,90,93,104,106,109,110,113,117,123,126,127,131,132,138,139,140,143,144,146,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00066 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00067 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0421_00068 36,59,74,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,135,137,138,141,142,144,145,147,148,149,152,153,154,155,156,158,160,161,162,163,164,165 +0421_00069 36,59,74,75,80,81,85,86,88,93,98,100,105,108,111,115,116,118,120,121,122,125,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00070 30,49,66,72,85,86,90,91,93,95,100,108,109,111,112,114,115,116,118,122,123,126,129,132,138,139,141,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00071 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00072 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0421_00073 30,49,50,75,76,83,85,86,96,99,100,108,111,112,114,116,121,122,125,128,129,137,138,141,145,147,148,149,150,153,155,156,158,160,161,162,163,165 +0421_00074 30,49,57,74,85,86,93,95,98,100,105,108,109,111,112,113,115,116,122,123,125,126,132,137,138,141,144,145,146,147,148,149,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00075 52,65,74,75,80,83,85,86,92,93,94,95,96,97,100,105,108,109,110,111,113,115,116,117,118,120,121,122,124,125,126,127,132,137,138,142,143,145,147,148,149,153,155,156,157,158,160,161,162,163,164,165 +0421_00076 62,66,72,85,86,95,96,100,108,109,111,112,114,116,118,122,123,126,128,129,132,138,146,147,148,149,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00077 19,50,74,76,85,86,93,99,100,105,111,115,116,118,122,125,144,145,147,148,149,153,155,158,160,161,162,163,165 +0421_00078 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0421_00079 52,62,65,74,75,79,80,83,85,86,92,93,94,95,96,97,100,108,110,111,113,115,116,117,120,121,122,124,125,127,129,133,135,137,141,142,143,144,145,148,149,150,153,154,155,156,158,160,161,162,163,164,165 +0421_00080 57,83,85,86,95,96,100,105,108,109,111,114,116,118,122,123,125,126,128,129,132,137,138,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0421_00081 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,100,105,106,108,110,111,113,114,115,116,117,118,120,121,122,127,129,132,136,137,138,141,142,143,144,146,147,148,149,150,152,153,154,155,156,158,159,160,161,162,163,164,165 +0421_00082 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00083 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00084 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00085 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00086 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00087 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0421_00088 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00089 26,50,53,66,72,76,82,89,90,91,96,99,105,108,109,112,115,116,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00090 24,37,49,52,53,54,56,57,62,63,70,71,72,75,77,78,79,80,83,89,92,94,95,96,97,102,106,110,117,119,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0421_00091 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,88,89,92,93,94,95,97,98,99,102,105,106,110,112,117,120,121,122,124,125,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00092 24,37,49,52,56,57,62,63,70,71,75,77,78,79,80,83,89,90,92,94,95,96,97,100,102,104,106,110,111,117,119,120,121,122,124,127,130,132,133,135,136,137,140,142,143,146,148,150,151,152,153,154,156,158,159,161,162,163,164,165 +0421_00093 32,33,36,38,45,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,88,89,92,93,94,95,97,98,99,102,105,106,110,112,113,117,120,121,122,124,125,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00094 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0421_00095 65,83,85,90,91,95,96,97,100,101,105,111,121,122,123,136,137,139,144,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0421_00096 26,50,57,66,72,74,76,82,83,89,91,96,99,101,104,105,108,109,112,115,116,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00097 50,51,55,57,58,59,60,61,62,64,67,73,76,81,83,88,93,96,99,102,109,112,123,124,125,127,130,136,137,140,143,145,146,148,150,153,154,157,159,160,162,163,164,165 +0421_00098 28,57,62,65,72,75,79,83,85,86,90,91,92,93,95,96,98,100,105,108,109,110,111,113,115,117,120,121,122,123,125,127,128,132,136,137,138,140,142,143,144,145,146,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0421_00099 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,84,88,94,96,97,102,106,112,117,120,121,124,125,130,136,137,142,144,145,146,148,150,151,152,156,159,160,161,162,163,164,165 +0421_00100 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0421_00101 52,62,75,80,83,89,92,94,95,96,97,110,113,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,139,142,143,145,146,147,148,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00102 26,50,57,66,72,76,82,83,89,91,96,99,101,104,105,108,109,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00103 22,50,51,55,57,58,59,60,61,62,64,66,67,72,73,74,76,81,83,88,89,93,96,99,102,109,112,123,124,126,127,130,136,137,140,141,143,146,148,149,150,152,153,154,155,157,159,160,162,163,164,165 +0421_00104 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00105 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00106 32,33,36,38,45,51,53,55,57,58,59,60,61,65,67,71,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0421_00107 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,88,89,92,94,96,97,102,104,106,110,111,112,114,117,120,121,124,125,130,132,136,137,140,142,144,145,146,148,149,150,151,152,154,155,156,158,159,160,161,162,163,164,165 +0421_00108 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0421_00109 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00110 26,50,57,64,66,76,81,83,88,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0421_00111 26,34,50,66,76,90,91,96,99,104,105,108,112,116,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0421_00112 72,82,90,91,92,93,100,104,108,110,111,113,114,115,116,117,118,126,127,128,129,131,132,139,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00113 72,74,82,90,91,92,93,99,100,104,108,110,111,113,117,118,126,127,128,129,131,132,139,141,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0421_00114 26,50,66,76,90,91,96,99,104,105,108,112,114,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0421_00115 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0421_00116 26,50,66,72,74,76,81,88,90,91,96,99,104,105,108,112,115,116,118,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0421_00117 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 diff --git a/processed_data/0421/0421_fingerprints_pubchem_canonical_success.tsv b/processed_data/0421/0421_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..1a9dfce26 --- /dev/null +++ b/processed_data/0421/0421_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,118 @@ +id bits.on +0421_00001 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0421_00002 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0421_00003 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0421_00004 10,11,12,15,19,179,180,256,284,285,286,287,309,333,341,342,345,346,352,353,356,366,371,372,375,377,378,382,383,385,391,392,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0421_00005 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675 +0421_00006 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0421_00007 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,341,342,345,352,353,356,366,371,372,375,377,378,381,382,383,385,391,392,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,647,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0421_00008 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,333,342,345,346,352,353,356,359,366,371,372,373,374,375,377,381,382,383,385,388,391,392,397,398,404,406,417,419,421,435,436,442,443,446,447,448,450,452,453,454,462,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,616,619,620,623,627,629,634,635,638,641,642,647,652,656,657,658,660,661,665,666,667,669,678,679,683,684 +0421_00009 10,11,12,15,16,19,144,149,150,179,180,256,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,376,385,391,394,406,417,419,431,435,442,447,451,454,471,488,491,517,521,525,549,553,557,560,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,613,616,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0421_00010 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00011 10,11,12,15,16,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,338,342,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,406,417,421,431,435,442,447,452,453,471,491,517,521,525,529,541,553,557,560,565,567,571,579,583,585,593,596,600,604,608,609,613,614,616,619,635,639,641,646,647,657,660,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00012 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,366,371,372,375,377,378,382,383,385,391,392,393,394,407,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,499,517,521,525,537,541,542,543,546,549,550,553,557,565,570,571,574,575,579,583,585,586,591,593,596,600,601,603,604,607,608,609,612,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,689,690,692,698,699,703,704,709,710,711,715,735,743,757,759,778,798,806,820,822 +0421_00013 10,11,12,15,16,34,144,146,147,149,150,151,179,180,256,284,285,286,294,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,376,385,391,392,413,417,419,431,435,442,447,451,454,465,471,476,488,490,491,508,517,520,521,525,541,550,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00014 10,11,12,13,15,19,20,21,116,119,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,616,618,619,635,638,639,640,641,642,643,656,657,660,661,665,669,678,679,680,681,682,684,685,689,690,691,693,697,698,699,701,702,705,709,710,711,713 +0421_00015 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00016 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00017 10,11,12,13,15,16,17,19,20,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,491,494,495,496,500,505,507,517,520,521,522,524,525,531,536,537,539,540,541,546,548,550,553,554,556,557,561,565,567,570,571,572,573,579,581,583,585,586,593,594,596,597,600,602,603,604,608,609,612,614,619,622,625,629,635,637,641,646,647,648,651,655,657,658,660,661,665,669,674,675,678,679,680,684,689,697,709,710,711 +0421_00018 10,11,12,15,16,17,19,20,144,149,150,179,180,256,284,285,286,287,300,301,309,333,334,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,394,407,417,421,423,431,435,438,442,447,450,452,465,471,491,496,499,503,521,525,541,542,543,544,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,683,684,689,690,691,692,697,699,702,703,704,709,710,711,715,729,738,743,759,764,778,792,801,806,822,827 +0421_00019 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0421_00020 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0421_00021 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00022 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0421_00023 10,11,12,15,16,34,179,180,184,185,186,256,284,285,286,294,300,333,334,341,345,346,350,352,354,356,357,366,369,371,372,375,376,377,378,385,391,393,394,413,417,419,431,435,438,442,447,450,451,454,465,471,476,488,490,491,496,508,517,520,521,525,546,550,553,557,565,571,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0421_00024 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,586,594,597,602,603,612,614,618,622,625,629,637,639,646,647,648,651,655,657,658,660,664,674,675 +0421_00025 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0421_00026 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0421_00027 10,11,12,13,15,16,179,180,181,182,186,256,257,258,284,285,286,333,334,345,346,352,356,357,359,366,371,372,373,374,375,376,377,379,380,385,388,391,392,397,404,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,483,485,488,491,492,496,503,507,517,520,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,570,571,577,578,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711 +0421_00028 10,11,12,13,15,19,20,21,144,146,147,179,180,256,284,285,286,287,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,541,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,593,595,596,598,600,604,605,607,609,614,619,620,624,626,627,635,638,640,641,642,643,652,654,656,657,661,665,667,669,672,678,679,680,681,684,685,686,689,690,691,693,694,697,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0421_00029 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,341,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,567,570,572,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,660,674,675 +0421_00030 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,391,392,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,503,507,517,520,521,522,524,525,531,539,540,541,542,543,546,547,549,550,553,556,557,561,565,566,570,571,574,575,577,578,579,583,585,586,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,641,642,652,655,656,657,658,661,665,666,667,669,675,678,679,680,681,684,689,690,692,703,709,710,711,715,778 +0421_00031 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0421_00032 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,333,334,335,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,615,619,635,638,641,642,656,657,661,665,669,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712,713 +0421_00033 10,11,12,13,15,19,20,34,144,147,179,180,181,182,186,256,257,258,284,285,286,287,294,309,333,334,338,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,384,385,391,392,406,407,413,417,422,431,435,442,447,471,472,481,491,501,508,514,517,521,525,532,533,541,549,553,557,565,567,571,574,575,579,583,585,587,593,596,600,604,609,614,615,616,618,619,620,635,638,639,641,642,656,657,659,660,661,665,668,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +0421_00034 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,375,376,380,391,393,394,413,415,419,421,422,423,440,444,451,452,458,460,468,469,480,487,490,509,512,518,520,561,597,636,644,648,655 +0421_00035 10,11,12,13,15,19,20,21,116,119,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,616,618,619,635,638,639,640,641,642,643,656,657,660,661,665,669,678,679,680,681,682,684,685,689,690,691,693,697,698,699,701,702,705,709,710,711,713 +0421_00036 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0421_00037 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0421_00038 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,341,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,381,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,441,442,443,444,448,450,451,452,453,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,567,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,660,674,675 +0421_00039 10,11,12,13,15,19,20,130,131,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,338,339,341,342,345,346,352,353,356,357,366,371,372,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,567,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,660,661,665,668,669,678,679,680,681,683,684,689,690,691,697,698,699,700,702,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,820,822,827 +0421_00040 10,11,12,13,15,19,20,21,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,541,549,553,554,557,565,571,574,575,579,580,581,582,583,585,593,595,596,598,600,604,605,609,614,615,618,619,620,624,635,638,639,640,641,642,643,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711 +0421_00041 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,367,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,449,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0421_00042 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,309,333,334,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,407,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,572,573,574,575,576,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,618,619,620,627,629,634,635,637,638,639,640,641,642,644,652,653,655,656,657,658,661,665,666,667,668,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0421_00043 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,336,341,345,346,352,356,357,358,359,366,371,372,373,374,375,376,377,380,385,388,390,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,553,557,561,565,570,571,573,579,583,585,586,593,596,597,600,604,608,609,612,614,619,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,735,756,798,819 +0421_00044 10,11,12,13,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0421_00045 10,11,12,13,15,19,179,180,186,187,228,233,234,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,465,471,491,517,521,525,541,549,550,553,557,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,660,661,665,667,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713,756,819 +0421_00046 10,11,12,15,144,146,147,179,180,256,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711 +0421_00047 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +0421_00048 10,11,12,15,16,144,146,147,148,151,179,180,256,257,258,284,285,286,300,333,334,335,341,345,346,352,356,357,358,359,366,371,372,373,374,375,376,377,380,385,388,390,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,553,557,561,565,570,571,573,579,583,585,586,593,596,597,600,604,609,612,614,619,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,712,713,756,819,840,861 +0421_00049 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00050 10,11,12,13,15,19,20,179,180,181,182,186,187,188,189,193,200,256,258,284,285,286,287,309,333,334,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00051 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,335,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0421_00052 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0421_00053 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00054 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0421_00055 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,366,375,376,380,391,397,413,415,419,421,422,423,440,444,451,452,454,458,460,468,469,476,480,488,490,497,509,520,522,541 +0421_00056 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0421_00057 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0421_00058 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,499,503,517,521,525,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,607,608,609,615,616,619,620,621,624,627,633,634,635,638,641,642,644,652,656,657,660,661,665,666,667,669,672,673,678,679,680,681,682,684,685,687,689,690,692,693,696,699,700,704,705,708,709,710,711,717,736,764,780,799,827 +0421_00059 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0421_00060 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0421_00061 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,529,536,541,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,586,593,595,596,598,600,601,604,605,608,609,614,615,616,619,620,624,629,634,635,638,641,642,644,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,703,704,705,708,709,710,711,717,780 +0421_00062 10,11,12,19,20,21,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0421_00063 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0421_00064 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,342,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,433,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,580,581,583,586,593,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675,680,684,685,696 +0421_00065 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,340,342,345,347,353,356,367,371,372,375,381,382,383,385,394,406,407,417,421,435,442,447,452,453,471,477,491,499,517,521,525,542,543,545,549,553,557,560,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0421_00066 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0421_00067 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0421_00068 10,11,12,13,15,16,19,34,179,180,184,185,186,187,193,256,258,284,285,286,287,294,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,384,385,391,392,413,417,421,431,433,435,438,442,444,447,450,465,471,491,494,496,501,503,508,517,521,525,532,533,534,536,541,546,547,550,553,554,557,565,571,578,579,580,583,585,586,587,593,594,596,598,600,601,604,608,609,614,619,624,629,634,635,641,657,658,659,661,665,666,669,672,673,678,679,680,684,685,686,689,693,697,705,709,710,711,716,738,768,779,801,831 +0421_00069 10,11,12,13,15,16,34,179,180,184,185,186,187,193,256,258,284,285,286,294,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,659,661,665,666,669,678,679,680,684,768,831 +0421_00070 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,596,598,600,604,609,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00071 10,11,12,15,16,19,20,21,34,35,144,147,179,181,182,184,185,186,256,257,258,259,284,285,286,287,294,300,306,309,333,341,342,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,472,473,481,483,484,485,488,491,492,496,499,501,503,507,508,514,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,587,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,659,661,665,666,668,669,672,675,678,679,681,684 +0421_00072 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0421_00073 10,11,12,13,15,144,146,147,179,180,186,187,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711 +0421_00074 10,11,12,13,15,19,20,179,180,185,186,187,193,256,258,284,285,286,287,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,541,542,543,549,553,557,565,566,567,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,657,660,661,665,667,669,678,679,680,681,682,685,687,689,690,693,697,698,699,705,709,710,711,713,757,820 +0421_00075 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,385,386,387,388,391,392,397,406,417,419,423,431,432,435,438,442,443,447,450,454,465,468,471,477,478,491,496,497,499,503,516,517,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,565,566,571,574,575,577,579,583,585,586,590,593,594,595,596,600,601,602,604,605,607,608,609,613,614,615,617,619,620,621,622,627,629,633,634,635,638,639,641,642,645,652,653,656,657,658,661,665,666,667,669,678,679,680,681,684,689,690,699,709,710,711,759,822 +0421_00076 10,11,12,13,15,19,20,144,145,179,180,256,284,285,286,287,333,334,335,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,568,571,579,580,583,585,596,598,600,604,609,615,616,619,635,638,641,642,656,657,660,661,663,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713 +0421_00077 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0421_00078 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0421_00079 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0421_00080 10,11,12,13,15,19,20,144,147,179,180,186,187,256,258,284,285,286,287,333,334,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,386,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,596,600,604,609,615,616,619,635,638,641,657,660,661,665,669,678,679,680,681,682,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,756,798,819 +0421_00081 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,342,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,433,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,580,581,583,586,593,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675,680,684,685,696 +0421_00082 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +0421_00083 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00084 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00085 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00086 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00087 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0421_00088 10,11,12,13,19,20,21,116,119,144,145,147,151,179,180,183,186,187,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,580,583,600,615,638,641,642,661,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00089 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00090 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,180,256,257,258,284,285,286,287,300,301,302,309,333,334,341,342,345,346,347,352,353,356,357,366,367,371,372,376,377,378,382,385,391,393,394,396,402,406,407,410,417,419,421,424,431,433,435,436,438,440,442,443,444,447,448,450,452,455,456,462,463,465,468,471,477,491,494,499,503,515,516,517,518,519,521,525,536,537,538,539,541,542,543,546,547,549,550,553,554,556,557,559,561,565,566,567,570,571,572,574,575,577,579,580,583,585,590,593,595,596,598,600,601,603,604,605,607,608,609,612,615,619,620,621,624,627,633,634,635,636,637,638,641,642,644,645,646,647,648,651,652,655,656,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,704,705,708,709,710,711,717,780 +0421_00091 10,11,12,15,16,19,20,21,34,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,492,496,499,503,507,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,661,665,666,668,669,672,675,678,679,680,681,684,689,690,699,709,710,711,758,821 +0421_00092 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,180,256,257,258,284,285,286,287,300,301,302,333,334,341,342,345,346,352,353,356,357,366,371,372,376,377,378,382,385,391,393,394,396,402,406,410,417,419,421,424,431,433,435,436,438,440,442,443,444,447,448,450,452,455,456,462,465,468,471,477,491,494,499,503,515,516,517,518,519,521,525,536,537,539,541,542,543,546,547,549,550,553,554,556,557,559,561,565,566,570,571,574,575,577,579,580,583,585,590,593,595,596,598,600,601,603,604,605,607,608,609,612,615,619,620,621,624,627,633,634,635,636,637,638,641,642,644,645,646,647,648,651,652,655,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,704,705,708,709,710,711,717,780 +0421_00093 10,11,12,15,16,19,20,21,34,179,180,181,182,184,185,186,193,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,379,380,382,383,384,385,388,391,393,394,397,404,407,415,417,419,421,431,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,462,465,466,471,473,483,484,485,488,491,492,496,498,499,503,507,517,520,521,522,524,525,531,532,533,537,539,540,541,542,543,544,546,547,549,550,553,554,556,557,561,565,567,570,571,574,575,577,578,579,583,585,586,588,591,593,596,597,600,601,603,604,607,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,652,655,656,657,658,660,661,665,666,668,669,672,675,678,679,680,681,683,684,689,690,699,709,710,711,758,821 +0421_00094 10,11,12,13,19,20,21,144,145,179,180,183,186,190,193,284,285,287,309,333,334,335,336,338,342,345,353,375,381,407,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,618,638,641,661,665,672,679,680,681,682,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00095 10,11,12,15,19,20,144,146,147,149,150,151,179,180,256,257,258,284,285,286,287,309,333,334,336,341,342,345,346,352,353,356,357,358,359,366,371,372,377,381,385,388,391,392,397,398,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,693,696,697,698,699,705,708,709,710,711 +0421_00096 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0421_00097 10,11,12,13,19,20,21,34,144,150,179,180,186,187,256,258,284,285,287,294,333,334,345,347,353,354,356,357,367,369,371,372,375,381,384,385,406,413,415,417,421,431,435,441,442,444,447,453,458,460,466,471,491,501,508,517,521,525,532,533,536,553,554,557,565,571,574,579,580,583,585,587,595,596,598,600,604,609,615,619,620,635,638,641,642,656,661,665,667,669,672,678,679,680,681,685,689,690,693,697,699,705,709,710,711,716,779 +0421_00098 10,11,12,13,15,16,19,20,21,144,146,147,150,151,179,180,181,182,184,185,186,187,193,200,256,257,258,260,284,285,286,287,300,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,375,377,378,381,382,383,385,386,387,388,391,392,393,394,397,400,401,404,406,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,496,499,503,507,517,521,524,525,528,531,536,537,539,540,541,542,543,545,546,547,549,550,553,556,557,564,565,566,568,570,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,603,604,605,607,608,609,611,612,614,619,620,627,629,631,634,635,638,641,642,644,646,647,652,656,657,658,661,662,663,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713,715,736,759,762,778,799,822,825 +0421_00099 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,302,306,333,334,341,342,345,352,353,354,356,357,358,359,371,372,375,377,382,384,385,388,396,415,417,419,421,424,431,432,433,435,438,442,443,444,447,450,455,458,460,465,466,471,484,491,494,499,515,517,521,524,525,531,532,533,536,539,542,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,652,653,656,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,716,779 +0421_00100 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0421_00101 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,309,333,334,336,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,407,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,499,503,516,517,519,521,525,536,542,543,546,547,549,550,553,557,565,571,574,575,579,580,581,583,585,586,589,591,593,594,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,690,693,709,710,722,785 +0421_00102 10,11,12,13,19,20,21,144,145,147,151,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,564,568,572,580,582,583,600,606,611,615,618,638,640,641,643,661,662,663,672,673,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862,867 +0421_00103 10,11,12,13,19,20,21,34,116,117,144,150,179,180,256,284,285,287,294,333,334,336,338,342,345,347,353,354,356,357,367,369,371,372,375,381,384,385,406,413,415,417,421,431,435,441,442,444,447,453,458,460,463,466,471,477,491,499,501,508,517,521,525,532,533,538,553,554,557,565,568,571,574,579,583,585,587,595,596,600,604,606,609,615,619,620,635,638,641,642,656,661,663,665,667,669,672,678,679,680,681,689,690,697,698,699,709,710,711,716,779 +0421_00104 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0421_00105 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0421_00106 10,11,12,15,16,19,20,21,34,144,146,147,179,180,184,185,186,256,257,258,284,285,286,287,294,300,302,306,309,333,334,341,342,345,352,353,354,356,357,359,366,371,372,375,376,377,379,380,382,384,385,388,391,393,394,396,407,415,417,419,421,424,431,433,435,438,439,440,442,443,444,447,450,451,452,455,458,460,465,466,471,484,491,494,496,499,503,515,517,520,521,524,525,531,532,533,536,537,539,540,541,542,543,546,547,549,550,553,554,556,557,559,561,565,570,571,574,575,579,581,583,585,586,593,596,597,600,601,603,604,609,612,614,618,619,620,625,629,634,635,638,639,641,642,644,646,648,653,655,656,657,658,661,665,666,668,669,672,674,678,679,680,681,689,690,699,709,710,711,758,821 +0421_00107 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,302,306,333,334,341,342,345,352,353,354,356,357,358,359,371,372,375,377,382,384,385,388,394,396,415,417,419,421,424,431,432,433,435,438,440,442,443,444,447,450,452,455,458,460,465,466,471,484,491,494,499,515,517,521,524,525,531,532,533,536,539,542,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,644,652,653,656,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,716,779 +0421_00108 10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0421_00109 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00110 10,11,12,13,19,20,21,34,144,145,147,151,179,180,183,186,187,193,284,285,287,294,333,334,335,336,338,342,345,350,353,354,369,375,381,406,413,417,421,431,433,435,441,442,444,447,453,491,508,525,536,554,557,580,583,587,600,615,638,641,659,661,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,779,798,800,819,821,840,841,861,862 +0421_00111 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0421_00112 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,499,517,521,525,529,536,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,641,642,644,646,647,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,692,693,697,700,703,705,709,710,711,715,736,762,778,799,825 +0421_00113 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,499,517,521,525,529,536,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,641,642,644,646,647,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,692,693,700,703,709,710,711,715,736,762,778,799,825 +0421_00114 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0421_00115 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0421_00116 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,284,285,287,294,309,333,334,335,336,338,340,342,345,347,350,353,354,367,369,375,407,413,417,421,431,433,435,442,444,447,463,491,508,525,536,538,554,557,572,580,583,587,600,618,638,641,659,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00117 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 diff --git a/processed_data/0421/0421_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0421/0421_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..1a9dfce26 --- /dev/null +++ b/processed_data/0421/0421_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,118 @@ +id bits.on +0421_00001 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,494,503,517,521,525,529,536,541,546,547,550,553,554,557,565,570,571,579,580,583,585,593,596,598,600,601,604,608,609,612,614,619,624,629,634,635,641,644,646,647,657,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +0421_00002 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0421_00003 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0421_00004 10,11,12,15,19,179,180,256,284,285,286,287,309,333,341,342,345,346,352,353,356,366,371,372,375,377,378,382,383,385,391,392,407,417,435,438,442,447,450,465,471,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,690,692,703,704,743,806 +0421_00005 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675 +0421_00006 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,632,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0421_00007 10,11,12,15,16,19,20,179,180,256,284,285,286,287,333,341,342,345,352,353,356,366,371,372,375,377,378,381,382,383,385,391,392,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,647,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0421_00008 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,333,342,345,346,352,353,356,359,366,371,372,373,374,375,377,381,382,383,385,388,391,392,397,398,404,406,417,419,421,435,436,442,443,446,447,448,450,452,453,454,462,465,471,473,477,483,491,492,496,498,499,503,507,517,521,522,524,525,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,616,619,620,623,627,629,634,635,638,641,642,647,652,656,657,658,660,661,665,666,667,669,678,679,683,684 +0421_00009 10,11,12,15,16,19,144,149,150,179,180,256,284,285,286,287,300,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,376,385,391,394,406,417,419,431,435,442,447,451,454,471,488,491,517,521,525,549,553,557,560,565,567,571,574,575,579,583,585,593,595,596,600,604,605,608,609,613,616,619,620,635,638,641,642,656,661,665,667,669,678,679,680,681,684,689,690,697,699,709,710,711 +0421_00010 10,11,12,15,179,180,256,284,285,286,300,333,334,339,341,345,346,352,356,357,366,371,372,375,385,394,417,431,435,442,447,471,491,517,521,525,529,553,557,565,571,579,583,585,593,596,600,604,608,609,619,635,641,644,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00011 10,11,12,15,16,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,300,333,334,338,342,345,346,352,353,356,357,366,371,372,381,385,391,392,393,394,406,417,421,431,435,442,447,452,453,471,491,517,521,525,529,541,553,557,560,565,567,571,579,583,585,593,596,600,604,608,609,613,614,616,619,635,639,641,646,647,657,660,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00012 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,366,371,372,375,377,378,382,383,385,391,392,393,394,407,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,499,517,521,525,537,541,542,543,546,549,550,553,557,565,570,571,574,575,579,583,585,586,591,593,596,600,601,603,604,607,608,609,612,614,618,619,620,629,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,689,690,692,698,699,703,704,709,710,711,715,735,743,757,759,778,798,806,820,822 +0421_00013 10,11,12,15,16,34,144,146,147,149,150,151,179,180,256,284,285,286,294,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,376,385,391,392,413,417,419,431,435,442,447,451,454,465,471,476,488,490,491,508,517,520,521,525,541,550,553,557,565,570,571,579,583,585,593,596,597,600,604,608,609,612,614,619,634,635,641,657,661,665,669,678,679,680,684,689,697,709,710,711 +0421_00014 10,11,12,13,15,19,20,21,116,119,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,616,618,619,635,638,639,640,641,642,643,656,657,660,661,665,669,678,679,680,681,682,684,685,689,690,691,693,697,698,699,701,702,705,709,710,711,713 +0421_00015 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,345,346,347,352,353,356,357,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,407,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,572,578,579,580,582,583,585,586,593,596,598,600,601,604,608,609,614,618,619,629,634,635,638,639,641,642,643,646,647,656,657,658,661,665,666,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00016 10,11,12,13,15,19,20,144,146,147,179,180,181,182,186,256,284,285,286,287,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,571,572,579,580,582,583,585,593,596,598,600,604,609,614,615,618,619,635,638,639,640,641,642,643,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00017 10,11,12,13,15,16,17,19,20,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,491,494,495,496,500,505,507,517,520,521,522,524,525,531,536,537,539,540,541,546,548,550,553,554,556,557,561,565,567,570,571,572,573,579,581,583,585,586,593,594,596,597,600,602,603,604,608,609,612,614,619,622,625,629,635,637,641,646,647,648,651,655,657,658,660,661,665,669,674,675,678,679,680,684,689,697,709,710,711 +0421_00018 10,11,12,15,16,17,19,20,144,149,150,179,180,256,284,285,286,287,300,301,309,333,334,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,394,407,417,421,423,431,435,438,442,447,450,452,465,471,491,496,499,503,521,525,541,542,543,544,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,683,684,689,690,691,692,697,699,702,703,704,709,710,711,715,729,738,743,759,764,778,792,801,806,822,827 +0421_00019 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0421_00020 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0421_00021 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,336,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00022 10,11,12,15,16,17,19,20,34,144,146,147,179,181,182,256,257,284,285,286,287,300,306,309,333,334,337,340,341,342,345,346,347,352,353,359,366,367,375,376,377,379,380,382,388,391,392,393,394,406,407,417,419,439,443,450,451,462,477,486,496,498,500,520,529,541,544,548,561,566,567,568,570,572,597,612,613,614,615,616,621,633,639,644,655,657,660,663,664 +0421_00023 10,11,12,15,16,34,179,180,184,185,186,256,284,285,286,294,300,333,334,341,345,346,350,352,354,356,357,366,369,371,372,375,376,377,378,385,391,393,394,413,417,419,431,435,438,442,447,450,451,454,465,471,476,488,490,491,496,508,517,520,521,525,546,550,553,557,565,571,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,641,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0421_00024 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,586,594,597,602,603,612,614,618,622,625,629,637,639,646,647,648,651,655,657,658,660,664,674,675 +0421_00025 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 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10,11,12,13,15,19,20,21,144,146,147,179,180,256,284,285,286,287,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,471,477,491,494,499,521,525,536,541,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,593,595,596,598,600,604,605,607,609,614,619,620,624,626,627,635,638,640,641,642,643,652,654,656,657,661,665,667,669,672,678,679,680,681,684,685,686,689,690,691,693,694,697,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0421_00029 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10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00050 10,11,12,13,15,19,20,179,180,181,182,186,187,188,189,193,200,256,258,284,285,286,287,309,333,334,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00051 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,335,339,341,345,346,352,353,356,357,366,371,372,375,385,391,392,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,635,641,657,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0421_00052 10,11,12,15,16,19,20,144,146,147,179,180,256,284,285,286,287,300,333,334,340,342,345,347,352,353,356,357,367,371,372,376,385,391,393,394,406,417,419,421,431,435,440,442,444,447,451,452,463,471,489,491,517,520,521,525,536,538,549,553,557,560,565,567,571,574,575,579,580,583,585,593,595,596,597,598,600,604,605,606,608,609,613,614,616,619,620,635,638,641,642,644,656,660,661,665,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0421_00053 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,258,284,285,286,287,309,333,334,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,593,596,598,600,604,609,614,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00054 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,487,488,489,491,494,495,496,499,500,505,507,516,517,518,520,521,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,636,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,689,690,699,709,710,711,721,737,757,784,800,820 +0421_00055 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,366,375,376,380,391,397,413,415,419,421,422,423,440,444,451,452,454,458,460,468,469,476,480,488,490,497,509,520,522,541 +0421_00056 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0421_00057 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0421_00058 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,477,491,494,499,503,517,521,525,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,607,608,609,615,616,619,620,621,624,627,633,634,635,638,641,642,644,652,656,657,660,661,665,666,667,669,672,673,678,679,680,681,682,684,685,687,689,690,692,693,696,699,700,704,705,708,709,710,711,717,736,764,780,799,827 +0421_00059 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0421_00060 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0421_00061 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,393,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,529,536,541,546,547,549,550,553,554,557,565,567,571,574,575,579,580,583,585,586,593,595,596,598,600,601,604,605,608,609,614,615,616,619,620,624,629,634,635,638,641,642,644,656,657,658,660,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,703,704,705,708,709,710,711,717,780 +0421_00062 10,11,12,19,20,21,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0421_00063 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0421_00064 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,342,345,346,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,433,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,580,581,583,586,593,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,657,658,674,675,680,684,685,696 +0421_00065 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,340,342,345,347,353,356,367,371,372,375,381,382,383,385,394,406,407,417,421,435,442,447,452,453,471,477,491,499,517,521,525,542,543,545,549,553,557,560,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0421_00066 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0421_00067 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0421_00068 10,11,12,13,15,16,19,34,179,180,184,185,186,187,193,256,258,284,285,286,287,294,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,384,385,391,392,413,417,421,431,433,435,438,442,444,447,450,465,471,491,494,496,501,503,508,517,521,525,532,533,534,536,541,546,547,550,553,554,557,565,571,578,579,580,583,585,586,587,593,594,596,598,600,601,604,608,609,614,619,624,629,634,635,641,657,658,659,661,665,666,669,672,673,678,679,680,684,685,686,689,693,697,705,709,710,711,716,738,768,779,801,831 +0421_00069 10,11,12,13,15,16,34,179,180,184,185,186,187,193,256,258,284,285,286,294,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,413,417,435,438,442,447,450,465,471,491,496,501,503,508,517,521,525,532,533,534,541,546,547,550,553,557,565,571,578,579,583,585,586,587,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,659,661,665,666,669,678,679,680,684,768,831 +0421_00070 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,407,417,421,431,435,441,442,444,447,453,463,471,491,517,521,525,536,538,541,549,553,557,565,567,568,571,574,575,579,580,583,585,596,598,600,604,609,615,616,618,619,620,635,638,641,642,656,657,660,661,663,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +0421_00071 10,11,12,15,16,19,20,21,34,35,144,147,179,181,182,184,185,186,256,257,258,259,284,285,286,287,294,300,306,309,333,341,342,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,379,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,435,436,438,439,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,472,473,481,483,484,485,488,491,492,496,499,501,503,507,508,514,517,520,521,522,524,525,531,532,533,537,539,540,541,546,547,549,550,553,554,556,557,561,565,570,571,574,575,577,578,579,583,585,586,587,593,596,597,600,601,603,604,608,609,612,614,618,619,620,629,634,635,637,638,641,642,644,646,648,655,656,657,658,659,661,665,666,668,669,672,675,678,679,681,684 +0421_00072 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +0421_00073 10,11,12,13,15,144,146,147,179,180,186,187,256,258,284,285,286,333,334,339,341,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,465,471,491,517,521,525,541,553,557,565,571,579,583,585,593,596,600,604,609,614,619,635,641,657,661,665,669,678,679,680,684,689,697,698,709,710,711 +0421_00074 10,11,12,13,15,19,20,179,180,185,186,187,193,256,258,284,285,286,287,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,541,542,543,549,553,557,565,566,567,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,616,619,620,621,627,633,635,638,641,642,652,656,657,660,661,665,667,669,678,679,680,681,682,685,687,689,690,693,697,698,699,705,709,710,711,713,757,820 +0421_00075 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,385,386,387,388,391,392,397,406,417,419,423,431,432,435,438,442,443,447,450,454,465,468,471,477,478,491,496,497,499,503,516,517,521,522,524,525,531,539,540,541,542,546,547,549,550,553,556,557,565,566,571,574,575,577,579,583,585,586,590,593,594,595,596,600,601,602,604,605,607,608,609,613,614,615,617,619,620,621,622,627,629,633,634,635,638,639,641,642,645,652,653,656,657,658,661,665,666,667,669,678,679,680,681,684,689,690,699,709,710,711,759,822 +0421_00076 10,11,12,13,15,19,20,144,145,179,180,256,284,285,286,287,333,334,335,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,568,571,579,580,583,585,596,598,600,604,609,615,616,619,635,638,641,642,656,657,660,661,663,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,712,713 +0421_00077 10,11,12,13,15,179,180,186,187,214,218,256,258,284,285,286,333,334,345,346,352,356,357,366,371,372,375,385,391,392,417,431,435,442,447,471,491,517,521,525,541,553,557,565,571,579,583,585,596,600,604,609,614,619,635,641,661,665,669,678,679,680,689,697,698,709,710,711,713,756,819 +0421_00078 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +0421_00079 10,11,12,13,15,16,19,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,301,333,334,336,339,341,345,346,352,353,356,357,358,359,366,371,372,375,377,378,382,385,388,391,392,397,417,419,421,423,431,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684,686,689,697,709,710,711,713 +0421_00080 10,11,12,13,15,19,20,144,147,179,180,186,187,256,258,284,285,286,287,333,334,336,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,386,391,392,406,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,553,557,565,567,571,579,580,583,585,596,600,604,609,615,616,619,635,638,641,657,660,661,665,669,678,679,680,681,682,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,756,798,819 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10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00084 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00085 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10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0421_00109 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0421_00110 10,11,12,13,19,20,21,34,144,145,147,151,179,180,183,186,187,193,284,285,287,294,333,334,335,336,338,342,345,350,353,354,369,375,381,406,413,417,421,431,433,435,441,442,444,447,453,491,508,525,536,554,557,580,583,587,600,615,638,641,659,661,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,779,798,800,819,821,840,841,861,862 +0421_00111 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0421_00112 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,499,517,521,525,529,536,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,641,642,644,646,647,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,692,693,697,700,703,705,709,710,711,715,736,762,778,799,825 +0421_00113 10,11,12,13,15,19,20,179,180,256,284,285,286,287,300,309,333,334,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,465,471,477,491,499,517,521,525,529,536,541,542,543,545,549,550,553,557,565,566,568,571,574,575,579,580,583,585,590,591,593,595,596,600,604,605,607,608,609,614,618,619,620,627,629,631,632,634,635,638,641,642,644,646,647,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,685,689,690,692,693,700,703,709,710,711,715,736,762,778,799,825 +0421_00114 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0421_00115 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0421_00116 10,11,12,13,19,20,21,34,144,145,179,180,183,186,187,193,284,285,287,294,309,333,334,335,336,338,340,342,345,347,350,353,354,367,369,375,407,413,417,421,431,433,435,442,444,447,463,491,508,525,536,538,554,557,572,580,583,587,600,618,638,641,659,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0421_00117 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 diff --git a/processed_data/0421/0421_gradient.tsv b/processed_data/0421/0421_gradient.tsv new file mode 100644 index 000000000..6dcd89be6 --- /dev/null +++ b/processed_data/0421/0421_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 80 20 +5 0.3 80 20 +20 0.3 50 50 +25 0.3 0 100 diff --git a/processed_data/0421/0421_info.tsv b/processed_data/0421/0421_info.tsv new file mode 100644 index 000000000..2afb9ada6 --- /dev/null +++ b/processed_data/0421/0421_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0421 10.1016/j.aca.2011.01.006 Submitted by Fangyuan Sun Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire ROASMI_54 diff --git a/processed_data/0421/0421_metadata.tsv b/processed_data/0421/0421_metadata.tsv new file mode 100644 index 000000000..c82be3610 --- /dev/null +++ b/processed_data/0421/0421_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0421 Waters SunFire C18 L1 150 2.1 3.5 35 0.3 1.1025 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 80 20 0 0 0 100 0 0 diff --git a/processed_data/0421/0421_report_canonical.pdf b/processed_data/0421/0421_report_canonical.pdf new file mode 100644 index 000000000..ae67b72d3 Binary files /dev/null and b/processed_data/0421/0421_report_canonical.pdf differ diff --git a/processed_data/0421/0421_report_isomeric.pdf b/processed_data/0421/0421_report_isomeric.pdf new file mode 100644 index 000000000..a4418d302 Binary files /dev/null and b/processed_data/0421/0421_report_isomeric.pdf differ diff --git a/processed_data/0421/0421_rtdata_canonical_success.tsv b/processed_data/0421/0421_rtdata_canonical_success.tsv new file mode 100644 index 000000000..a65b091d7 --- /dev/null +++ b/processed_data/0421/0421_rtdata_canonical_success.tsv @@ -0,0 +1,118 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0421_00001 C13H21N3O 0.9 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0421_00002 C13H22N4O3S 1.1 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00003 C10H16N6S 1.2 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0421_00004 C10H16NO 1.2 CC[N+](C)(C)C1=CC(=CC=C1)O InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 VWLHWLSRQJQWRG-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0421_00005 C13H21N5O2 1.2 CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 AWKLBIOQCIORSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00006 C17H19NO3 1.2 CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0421_00007 C12H19N2O2 1.2 CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 ALWKGYPQUAPLQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0421_00008 C9H13N2O2 1.2 C[N+]1=CC=CC(=C1)OC(=O)N(C)C InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1 RVOLLAQWKVFTGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Methylpyridines (CHEMONTID:0004152) N-methylpyridinium compounds (CHEMONTID:0004543) NA (NA) +0421_00009 C9H10N2O 1.3 C1C(OC(=N1)N)C2=CC=CC=C2 InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11) SYAKTDIEAPMBAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00010 C9H13N 1.3 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0421_00011 C15H20N2O2 1.3 C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3 InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18) FVNFBBAOMBJTST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0421_00012 C14H22N2O2 1.3 CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18) PMGUCIDDSCRAMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00013 C11H12N2S 1.3 C1CSC2=NC(CN21)C3=CC=CC=C3 InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2 HLFSDGLLUJUHTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazothiazoles (CHEMONTID:0000756) NA (NA) NA (NA) NA (NA) +0421_00014 C18H24NO4 1.3 C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1 LZCOQTDXKCNBEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0421_00015 C17H20N2O2 1.3 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0421_00016 C20H30NO3 1.4 CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 OEXHQOGQTVQTAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0421_00017 C20H27N5O3 1.5 CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3 VVUYEFBRTFASAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00018 C10H12N4O3 1.7 CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,15-16H,4H2,1H3,(H2,11,17) SSCSSDNTQJGTJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0421_00019 C14H22N2O 1.8 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0421_00020 C15H22N2O 1.8 CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18) INWLQCZOYSRPNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxamides (CHEMONTID:0002312) NA (NA) +0421_00021 C14H19NO2 1.8 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DUGOZIWVEXMGBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00022 C13H24N4O3S 1.8 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3 BLJRIMJGRPQVNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0421_00023 C12H16N2S 1.8 CC1=C(C(=CC=C1)C)NC2=NCCCS2 InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14) BPICBUSOMSTKRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0421_00024 C10H14N4O4 1.9 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 KSCFJBIXMNOVSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00025 C7H8N4O2 1.9 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00026 C16H25NO2 1.9 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00027 C16H21N3 1.9 CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2 InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3 UFLGIAIHIAPJJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylamines (CHEMONTID:0002673) 2-benzylaminopyridines (CHEMONTID:0004802) NA (NA) +0421_00028 C17H25NO4 2 COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3 OWYLAEYXIQKAOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0421_00029 C9H12N4O3 2 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 NWPRCRWQMGIBOT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00030 C17H23N3O 2 CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2 InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 YECBIJXISLIIDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylamines (CHEMONTID:0002673) 2-benzylaminopyridines (CHEMONTID:0004802) NA (NA) +0421_00031 C7H8N4O2 2 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00032 C15H21NO2 2.2 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0421_00033 C18H24NO2S 2.2 C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1 HJDYAOBDPZQHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00034 C4H6N4O3S2 2.3 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0421_00035 C21H30NO4 2.3 CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1 YBCNXCRZPWQOBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0421_00036 C8H10N4O2 2.4 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00037 C10H14N2O 2.4 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0421_00038 C9H10N4O4 2.416666667 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) HCYFGRCYSCXKNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00039 C21H29NO2 2.5 C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2 IFKLAQQSCNILHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0421_00040 C16H19NO4 2.6 CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) GVGYEFKIHJTNQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00041 C12H13N3O2 2.6 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00042 C17H19N3O4S 2.7 CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20) CMZHQFXXAAIBKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0421_00043 C13H16N2 2.8 CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15) CUHVIMMYOGQXCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) o-Xylenes (CHEMONTID:0004210) NA (NA) +0421_00044 C18H28N2O 2.9 CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21) LEBVLXFERQHONN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00045 C17H19NO 2.9 CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3 InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3 RGPDEAGGEXEMMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00046 C15H23N 2.9 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0421_00047 C12H11N7 2.9 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0421_00048 C14H16N2 3 CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16) HSWPZIDYAHLZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) NA (NA) NA (NA) NA (NA) +0421_00049 C21H26NO3 3 C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1 GKNPSSNBBWDAGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00050 C22H26NO3 3.4 C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1 HOOSGZJRQIVJSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00051 C23H33N2O 3.4 CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1 JTPUMZTWMWIVPA-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00052 C9H8N2O2 3.4 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00053 C22H28NO3 3.4 CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1 WPUKUEMZZRVAKZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00054 C23H32N6O4S 3.4 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00055 C5H8N4O3S2 3.5 CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) FLOSMHQXBMRNHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0421_00056 C11H12N2O 4.1 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00057 C17H19N3O3S 4.2 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0421_00058 C17H28N2O3 4.2 CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3 CMHHMUWAYWTMGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00059 C12H14N2O2 4.3 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0421_00060 C12H12N2O3 4.9 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) DDBREPKUVSBGFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0421_00061 C15H24N2O2 4.9 CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 GKCBAIGFKIBETG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00062 C10H14O4 5 COC1=CC=CC=C1OCC(CO)O InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 HSRJKNPTNIJEKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00063 C17H21NO 5.1 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00064 C13H18N4O3 5.4 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00065 C11H15NO5 6.4 COC1=CC=CC=C1OCC(COC(=O)N)O InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) GNXFOGHNGIVQEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00066 C22H30N6O4S 8.2 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00067 C16H20N4O3S 8.5 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0421_00068 C19H22N2OS 8.7 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 NOSIYYJFMPDDSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0421_00069 C17H20N2S 8.8 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 ZGUGWUXLJSTTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0421_00070 C21H34NO3 9 CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1 GFRUPHOKLBPHTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00071 C13H11N3O4S2 9 CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18) LZNWYQJJBLGYLT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00072 C19H24N2 9.6 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0421_00073 C22H28N 9.6 CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1 ZYEPZINLLPPBMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00074 C23H30NO3 9.8 CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1 VVWYOYDLCMFIEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0421_00075 C19H23N3O 9.9 CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3 CNBGNNVCVSKAQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrazoles (CHEMONTID:0001629) Indazoles (CHEMONTID:0000080) NA (NA) NA (NA) +0421_00076 C20H31NO3 10 CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2 InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 CFJMRBQWBDQYMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00077 C20H23N 10.3 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0421_00078 C27H38N2O4 10.6 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0421_00079 C24H31N3O 10.8 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00080 C24H33NO3 11.1 CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32 InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 KBAFPSLPKGSANY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0421_00081 C15H22N4O3 12.1 CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 RBQOQRRFDPXAGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00082 C9H11NO2 12.3 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00083 C21H28O5 12.3 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00084 C21H26O5 12.4 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00085 C21H30O5 12.6 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00086 C22H30O5 14.6 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 VHRSUDSXCMQTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00087 C15H12N2O2 14.7 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00088 C24H30O6 15.1 CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3 JUKPWJGBANNWMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0421_00089 C22H28O5 15.1 CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3 PIDANAQULIKBQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00090 C14H10N4O6 15.2 C1=CC(=CC=C1C2=CC=C(O2)C=NN3C(C(=O)NC3=O)O)[N+](=O)[O-] InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21) PGORTQZSSAZLCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00091 C15H13N3O4S 15.2 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) QYSPLQLAKJAUJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00092 C14H10N4O5 15.5 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20) OZOMQRBLCMDCEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00093 C15H13N3O5S 15.8 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(C=C3)O InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21) CCKOORANQAQKKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00094 C22H30O4 16.1 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25) PBKZPPIHUVSDNM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0421_00095 C15H13NO3 16.3 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0421_00096 C24H32O6 16.5 CC12CC(C3C(C1CC4C2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=CC35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3 WBGKWQHBNHJJPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00097 C17H14O4S 16.8 CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 RZJQGNCSTQAWON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0421_00098 C22H19N3O4 17.4 CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3 WOXKDUGGOYFFRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0421_00099 C16H14N2O3S 18.5 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00100 C16H14O3 19.3 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0421_00101 C19H20N2O3 19.8 CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3 HFHZKZSRXITVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0421_00102 C25H34O6 20.1 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3 VOVIALXJUBGFJZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00103 C17H20O5S 20.4 CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3 FULAPETWGIGNMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0421_00104 C17H20N2O5S 20.7 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0421_00105 C13H19NO4S 21.3 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00106 C14H13N3O5S 21.4 CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19) YYUAYBYLJSNDCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00107 C19H18N2O4S 21.8 CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) TZRHLKRLEZJVIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00108 C13H12N2O5S 21.9 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0421_00109 C22H28O3 22 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0421_00110 C24H32O4S 22 CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3 LXMSZDCAJNLERA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0421_00111 C21H26O2 22.1 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(CC=C)O InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3 VWAUPFMBXBWEQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0421_00112 C17H27NO3 22.4 CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20) RGOVYLWUIBMPGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0421_00113 C18H27NO3 22.6 CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21) YKPUWZUDDOIDPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0421_00114 C21H28O2 22.9 CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3 OXHNQTSIKGHVBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0421_00115 C19H20N2O2 24 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00116 C26H38O5S 24 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC(=O)C(C)(C)C)O)C)O InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3 BISFDZNIUZIKJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0421_00117 C21H28O4 25.1 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) diff --git a/processed_data/0421/0421_rtdata_isomeric_success.tsv b/processed_data/0421/0421_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..1c8487b6a --- /dev/null +++ b/processed_data/0421/0421_rtdata_isomeric_success.tsv @@ -0,0 +1,118 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0421_00001 C13H21N3O 0.9 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17) REQCZEXYDRLIBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0421_00002 C13H22N4O3S 1.1 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00003 C10H16N6S 1.2 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0421_00004 C10H16NO 1.2 CC[N+](C)(C)C1=CC(=CC=C1)O InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 VWLHWLSRQJQWRG-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) NA (NA) NA (NA) +0421_00005 C13H21N5O2 1.2 CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 AWKLBIOQCIORSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00006 C17H19NO3 1.2 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0421_00007 C12H19N2O2 1.2 CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 ALWKGYPQUAPLQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0421_00008 C9H13N2O2 1.2 C[N+]1=CC=CC(=C1)OC(=O)N(C)C InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1 RVOLLAQWKVFTGE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Methylpyridines (CHEMONTID:0004152) N-methylpyridinium compounds (CHEMONTID:0004543) NA (NA) +0421_00009 C9H10N2O 1.3 C1C(OC(=N1)N)C2=CC=CC=C2 InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11) SYAKTDIEAPMBAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00010 C9H13N 1.3 CC(CC1=CC=CC=C1)N InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 KWTSXDURSIMDCE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0421_00011 C15H20N2O2 1.3 C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3 InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18) FVNFBBAOMBJTST-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azaspirodecane derivatives (CHEMONTID:0000130) NA (NA) NA (NA) NA (NA) +0421_00012 C14H22N2O2 1.3 CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18) PMGUCIDDSCRAMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00013 C11H12N2S 1.3 C1CSC2=N[C@H](CN21)C3=CC=CC=C3 InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 HLFSDGLLUJUHTE-SNVBAGLBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazothiazoles (CHEMONTID:0000756) NA (NA) NA (NA) NA (NA) +0421_00014 C18H24NO4 1.3 C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1 LZCOQTDXKCNBEE-XJMZPCNVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0421_00015 C17H20N2O2 1.3 CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 BGDKAVGWHJFAGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0421_00016 C20H30NO3 1.4 CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18?,19?,21? OEXHQOGQTVQTAT-BZQJJPTISA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Tropane alkaloids (CHEMONTID:0000492) NA (NA) NA (NA) NA (NA) +0421_00017 C20H27N5O3 1.5 CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3 VVUYEFBRTFASAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00018 C10H12N4O3 1.7 CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,15-16H,4H2,1H3,(H2,11,17) SSCSSDNTQJGTJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) NA (NA) NA (NA) NA (NA) +0421_00019 C14H22N2O 1.8 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0421_00020 C15H22N2O 1.8 CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18) INWLQCZOYSRPNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxamides (CHEMONTID:0002312) NA (NA) +0421_00021 C14H19NO2 1.8 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 DUGOZIWVEXMGBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00022 C13H24N4O3S 1.8 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 BLJRIMJGRPQVNF-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0421_00023 C12H16N2S 1.8 CC1=C(C(=CC=C1)C)NC2=NCCCS2 InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14) BPICBUSOMSTKRF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0421_00024 C10H14N4O4 1.9 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 KSCFJBIXMNOVSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00025 C7H8N4O2 1.9 CN1C2=C(C(=O)N(C1=O)C)NC=N2 InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00026 C16H25NO2 1.9 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00027 C16H21N3 1.9 CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2 InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3 UFLGIAIHIAPJJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylamines (CHEMONTID:0002673) 2-benzylaminopyridines (CHEMONTID:0004802) NA (NA) +0421_00028 C17H25NO4 2 COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3 OWYLAEYXIQKAOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0421_00029 C9H12N4O3 2 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 NWPRCRWQMGIBOT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00030 C17H23N3O 2 CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2 InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 YECBIJXISLIIDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylamines (CHEMONTID:0002673) 2-benzylaminopyridines (CHEMONTID:0004802) NA (NA) +0421_00031 C7H8N4O2 2 CN1C=NC2=C1C(=O)NC(=O)N2C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00032 C15H21NO2 2.2 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3 XADCESSVHJOZHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0421_00033 C18H24NO2S 2.2 C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1 HJDYAOBDPZQHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00034 C4H6N4O3S2 2.3 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0421_00035 C21H30NO4 2.3 CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m1/s1 YBCNXCRZPWQOBR-MWGADRMYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Beta hydroxy acids and derivatives (CHEMONTID:0001713) NA (NA) NA (NA) +0421_00036 C8H10N4O2 2.4 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00037 C10H14N2O 2.4 CCN(CC)C(=O)C1=CN=CC=C1 InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 NCYVXEGFNDZQCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0421_00038 C9H10N4O4 2.416666667 CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) HCYFGRCYSCXKNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00039 C21H29NO2 2.5 C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 IFKLAQQSCNILHL-QHAWAJNXSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0421_00040 C16H19NO4 2.6 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 GVGYEFKIHJTNQZ-RFQIPJPRSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00041 C12H13N3O2 2.6 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00042 C17H19N3O4S 2.7 CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20) CMZHQFXXAAIBKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0421_00043 C13H16N2 2.8 CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15) CUHVIMMYOGQXCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) o-Xylenes (CHEMONTID:0004210) NA (NA) +0421_00044 C18H28N2O 2.9 CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21) LEBVLXFERQHONN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00045 C17H19NO 2.9 CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3 InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3 RGPDEAGGEXEMMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0421_00046 C15H23N 2.9 CCCC(CC1=CC=CC=C1)N2CCCC2 InChI=1S/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3 OJCPSBCUMRIPFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0421_00047 C12H11N7 2.9 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0421_00048 C14H16N2 3 CCC1(CC2=CC=CC=C2C1)C3=CN=CN3 InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16) HSWPZIDYAHLZDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Indanes (CHEMONTID:0000027) NA (NA) NA (NA) NA (NA) +0421_00049 C21H26NO3 3 C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1 GKNPSSNBBWDAGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00050 C22H26NO3 3.4 C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1 HOOSGZJRQIVJSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00051 C23H33N2O 3.4 CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1 JTPUMZTWMWIVPA-UHFFFAOYSA-O Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00052 C9H8N2O2 3.4 C1=CC=C(C=C1)C2C(=O)NC(=N)O2 InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) NRNCYVBFPDDJNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00053 C22H28NO3 3.4 CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1 WPUKUEMZZRVAKZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00054 C23H32N6O4S 3.4 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) SECKRCOLJRRGGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00055 C5H8N4O3S2 3.5 CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12) FLOSMHQXBMRNHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0421_00056 C11H12N2O 4.1 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00057 C17H19N3O3S 4.2 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0421_00058 C17H28N2O3 4.2 CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3 CMHHMUWAYWTMGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00059 C12H14N2O2 4.3 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0421_00060 C12H12N2O3 4.9 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) DDBREPKUVSBGFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0421_00061 C15H24N2O2 4.9 CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 GKCBAIGFKIBETG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00062 C10H14O4 5 COC1=CC=CC=C1OCC(CO)O InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 HSRJKNPTNIJEKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00063 C17H21NO 5.1 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00064 C13H18N4O3 5.4 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00065 C11H15NO5 6.4 COC1=CC=CC=C1OCC(COC(=O)N)O InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) GNXFOGHNGIVQEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0421_00066 C22H30N6O4S 8.2 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00067 C16H20N4O3S 8.5 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0421_00068 C19H22N2OS 8.7 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 NOSIYYJFMPDDSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0421_00069 C17H20N2S 8.8 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31 InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 ZGUGWUXLJSTTMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) Phenothiazines (CHEMONTID:0000310) NA (NA) NA (NA) +0421_00070 C21H34NO3 9 CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1 GFRUPHOKLBPHTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00071 C13H11N3O4S2 9 CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18) LZNWYQJJBLGYLT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0421_00072 C19H24N2 9.6 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0421_00073 C22H28N 9.6 CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC InChI=1S/C22H28N/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16-17H2,1-3H3/q+1 ZYEPZINLLPPBMI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0421_00074 C23H30NO3 9.8 CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1 VVWYOYDLCMFIEM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) Dibenzopyrans (CHEMONTID:0002817) Xanthenes (CHEMONTID:0000200) +0421_00075 C19H23N3O 9.9 CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3 InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3 CNBGNNVCVSKAQZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrazoles (CHEMONTID:0001629) Indazoles (CHEMONTID:0000080) NA (NA) NA (NA) +0421_00076 C20H31NO3 10 CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2 InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 CFJMRBQWBDQYMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00077 C20H23N 10.3 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 KRMDCWKBEZIMAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Dibenzocycloheptenes (CHEMONTID:0000019) NA (NA) NA (NA) NA (NA) +0421_00078 C27H38N2O4 10.6 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0421_00079 C24H31N3O 10.8 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3 GNUXVOXXWGNPIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0421_00080 C24H33NO3 11.1 CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32 InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 KBAFPSLPKGSANY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0421_00081 C15H22N4O3 12.1 CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 RBQOQRRFDPXAGN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0421_00082 C9H11NO2 12.3 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0421_00083 C21H28O5 12.3 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 OIGNJSKKLXVSLS-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00084 C21H26O5 12.4 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 XOFYZVNMUHMLCC-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00085 C21H30O5 12.6 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00086 C22H30O5 14.6 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 VHRSUDSXCMQTMA-PJHHCJLFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00087 C15H12N2O2 14.7 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00088 C24H30O6 15.1 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1 JUKPWJGBANNWMW-VWBFHTRKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0421_00089 C22H28O5 15.1 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1 PIDANAQULIKBQS-RNUIGHNZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00090 C14H10N4O6 15.2 C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-] InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+ PGORTQZSSAZLCK-VIZOYTHASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00091 C15H13N3O4S 15.2 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20) QYSPLQLAKJAUJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00092 C14H10N4O5 15.5 C1C(=O)NC(=O)N1/N=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7- OZOMQRBLCMDCEG-CHHVJCJISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0421_00093 C15H13N3O5S 15.8 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(C=C3)O InChI=1S/C15H13N3O5S/c1-18-13(15(21)17-12-7-6-9(19)8-16-12)14(20)10-4-2-3-5-11(10)24(18,22)23/h2-8,19-20H,1H3,(H,16,17,21) CCKOORANQAQKKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00094 C22H30O4 16.1 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1 PBKZPPIHUVSDNM-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0421_00095 C15H13NO3 16.3 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0421_00096 C24H32O6 16.5 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1 WBGKWQHBNHJJPZ-LECWWXJVSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00097 C17H14O4S 16.8 CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 RZJQGNCSTQAWON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0421_00098 C22H19N3O4 17.4 CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 WOXKDUGGOYFFRN-IIBYNOLFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Pyridoindoles (CHEMONTID:0001213) Beta carbolines (CHEMONTID:0001914) NA (NA) +0421_00099 C16H14N2O3S 18.5 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00100 C16H14O3 19.3 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0421_00101 C19H20N2O3 19.8 CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3 HFHZKZSRXITVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0421_00102 C25H34O6 20.1 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1 VOVIALXJUBGFJZ-KWVAZRHASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0421_00103 C17H20O5S 20.4 CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3 FULAPETWGIGNMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0421_00104 C17H20N2O5S 20.7 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0421_00105 C13H19NO4S 21.3 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00106 C14H13N3O5S 21.4 CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19) YYUAYBYLJSNDCX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0421_00107 C19H18N2O4S 21.8 CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) TZRHLKRLEZJVIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0421_00108 C13H12N2O5S 21.9 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0421_00109 C22H28O3 22 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0421_00110 C24H32O4S 22 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 LXMSZDCAJNLERA-ZHYRCANASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0421_00111 C21H26O2 22.1 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1 VWAUPFMBXBWEQY-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0421_00112 C17H27NO3 22.4 CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20) RGOVYLWUIBMPGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0421_00113 C18H27NO3 22.6 CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ YKPUWZUDDOIDPM-SOFGYWHQSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0421_00114 C21H28O2 22.9 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1 OXHNQTSIKGHVBH-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0421_00115 C19H20N2O2 24 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0421_00116 C26H38O5S 24 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CSC(=O)C(C)(C)C)O)C)O InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1 BISFDZNIUZIKJD-XDANTLIUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0421_00117 C21H28O4 25.1 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1 YOVRGSHRZRJTLZ-HZPDHXFCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) diff --git a/processed_data/0421/0421_validation_qspr_outliers.tsv b/processed_data/0421/0421_validation_qspr_outliers.tsv new file mode 100644 index 000000000..045ee9b1a --- /dev/null +++ b/processed_data/0421/0421_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0421_00105 12.314187917106741 diff --git a/processed_data/0422/0422_descriptors_canonical_success.tsv b/processed_data/0422/0422_descriptors_canonical_success.tsv new file mode 100644 index 000000000..2b5054b63 --- /dev/null +++ b/processed_data/0422/0422_descriptors_canonical_success.tsv @@ -0,0 +1,34 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0422_00001 11.996320019092286 15.999284964244694 -0.3827736903645793 0.2907355553655482 4.08644584778067 8.073570543798665 0 0.348 154.12041551074833 0 1 1.79 11 7 11 0 17 0 0 -0.15820000000000023 0.025027240000000072 40.166 1 1 1 1 1 0 0 0 1 0 0 0 0.5048478353591319 52 152 14 21.235187334831878 1.9304715758938071 9.827162707760868 9.827162707760868 0 4.459431618637298 77.76 1 0.5 0 0 0 0 1.6509636244473134 7.065551058002885 0 2.94168275343288 0 0 1.4324702914936969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.090909090909092 3.6 2.2145328719723185 0 179.04 0.5454545454545454 99 8.430721420318147 5.109060905280622 4.771716889212703 3.58154729623793 2.1946853774700132 1.7440546736666023 0.9780956548790778 0.33628733311876546 5.481939884532615 2.862978410194454 2.0086460883926556 1.2223646204607133 0.6564678813650243 0.3951994930814776 0.1417961525621847 0.0333607623707554 2.1263013134660467 2.0206844343301853 2.72215032854568 0.41558559427794084 0.35757970395576355 0.34874566572300736 0.9714045207910318 0 0.3333333333333333 0 0.2580763246656777 0 0.03188118215292128 0 0 0 0 0.06804138174397717 0.17536647355387364 0 0 0 0.024056261216234408 0.03354470475371396 0 0 1 5 1 0 0 0 0 451.56490573217786 502.7412397905276 647.6509839055177 548.308409867676 274.0609530751953 14.097876142163784 12.328367908530256 17.76702089833633 17.43120485260146 10.324643839927953 0.31877694323808775 -0.12902323921507158 -0.022970866005251236 0.06474561739597295 -0.09969574894287873 3 4 7.517242 19.528757999999993 +0422_00002 11.99618634496594 16.003480075690117 -0.3933669069486623 0.2910904723390732 4.255483977494777 9.323000098393818 0.4 -0.925 340.28273486115705 0 3 2.12 13 13 26 0 40 0 0 -2.0794000000000006 4.323904360000002 81.58480000000002 0 3 2 2 1 0 0 0 3 0 0 0 0.42904682311281256 128 1339 42 48.54388701472638 2.0226619589469323 24.46622201682188 24.46622201682188 0 5.700439718141093 145.91000000000003 1 0.5 0 0 0 0 2.6211775896548786 14.067180232375891 0 13.071532110614788 0 0 2.3617647143858336 3.757655730427068 0.727928250960776 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 5 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 18.781065088757398 7.7091412742382275 3.9077277970011535 0.4 1212.09 0.7083333333333334 474 17.430356941388645 11.401085903164898 10.624314007465172 9.368017409698263 7.173888341236127 5.955717789946682 4.1610738257886855 2.6852913385561963 12.272320343248426 7.145000359821982 5.427317688903971 3.7924729461818387 2.468053599420195 1.6641066303177694 0.8806449943309869 0.45446366253127 4.9348066625382385 7.120815652846763 10.63386756655168 1.4034042432458202 1.6676342660924224 1.96126026002998 1.9350609975132882 0 0.6158567754831888 0 0.7238261985680047 0 0.11849039747738756 0 0 0 0 0.16895785846218417 0.537905905760141 0 0 0 0.06403281881327383 0.12928833404425827 0 0 1 7 1 2 4 0 0 1325.7663372291308 1574.9798089502758 2247.8671949470304 2328.0087872874615 1838.4905664739583 30.970221319868514 29.98510372559077 45.858685636600605 53.731030814305335 43.517908788958316 1.019923709542997 -0.37197375112487086 -0.2497115783497676 0.11357153045434694 -0.09520725575913591 5 9 24.197312000000004 44.286687999999984 +0422_00003 11.996177848552758 16.003482312115484 -0.4139150629337121 0.2914450889799132 4.358673876184518 9.334164794754528 0.375 -0.9679999999999997 354.30935226559666 1 5 2.2299999999999995 13 14 26 0 43 0 0 -1.4737000000000007 2.171791690000002 86.69760000000001 1 2 1 2 1 0 0 0 2 0 0 0 0.4652705113267257 128 1646 40 49.27555833307897 1.9710223333231587 22.974538545281675 22.974538545281675 0 5.700439718141093 164.75 0.8571428571428571 0.46153846153846156 0 0 0 0 5.5474065075944186 15.256409566734247 1.736739367870647 6.642373604634902 2.203014033315397 0 4.284495377644848 1.8282689282024467 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 3 3 0 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21.301775147928993 8.79224376731302 5.489603024574669 0.375 1336.09 0.64 533 18.77565640300939 11.619716704747374 11.365329277926126 9.031387233783942 6.0997591387662675 5.03685350781182 3.226178660796727 1.740408713191797 12.941042160281443 7.347887169602035 5.859749012350622 3.9377987444630063 2.534281180389808 1.7077633299828658 0.8480512520494088 0.35337581547459024 5.910728187213208 6.883766016641 10.254617515409157 1.6593313051485121 1.9304764489045882 2.232020854477245 2.650283809765916 0.14433756729740646 0.9515603327808282 0.14433756729740646 1.0016984372994298 0.05590169943749474 0.12041770580311839 0.010206207261596576 0 0 0 0.11615390417644599 0.390331321867596 0 0 0 0.07216878364870322 0.14365330172047 0 0 2 7 1 0 5 1 0 1341.469190988967 1551.8618762860215 2140.905913605572 2113.6468099248846 1666.9612883572456 31.970221319868514 29.320919771325638 45.19450168233547 50.18209274322344 40.30106269500899 0.8707793765772418 -0.2823861194259619 -0.15597331003107864 0.09462565523656867 -0.1760160813290319 6 9 23.509726000000004 47.38027399999998 +0422_00004 11.996320040049879 15.998702755620029 -0.3867980702949747 0.290640750763032 4.057040501404813 7.955944503410524 0 0.268 138.12101058317893 0 1 1.9 10 7 10 0 16 0 0 0.40489999999999987 0.1639440099999999 38.5605 1 1 1 1 1 0 0 0 1 0 0 0 0.4167883352813243 46 120 11 19.385708226955547 1.9385708226955547 7.326862394641623 7.326862394641623 0 4.321928094887363 57.53 1 0.5 0 0 0 0 3.3019272488946267 7.065551058002885 0 1.3103706971044482 0 0 0.7211247851537042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0422_00001 11.996320019092286 15.999284964244694 -0.3827736903645793 0.2907355553655482 4.08644584778067 8.073570543798665 0 0.348 154.12041551074833 0 1 1.79 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a/processed_data/0422/0422_fingerprints_ecfp6_canonical_success.tsv b/processed_data/0422/0422_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..4553ab1f8 --- /dev/null +++ b/processed_data/0422/0422_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0422_00002 15,54,73,89,134,153,167,170,192,220,245,274,301,303,311,326,327,330,346,347,353,369,397,400,435,452,461,473,486,508,515,544,562,566,567,568,597,626,640,660,674,705,719,720,724,743,748,787,790,791,810,839,845,905,936,968,974,1001,1016 +0422_00003 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0422_00004 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 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20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0422_00012 15,16,17,21,73,89,118,134,153,170,195,220,226,245,269,311,326,327,330,335,346,347,350,353,361,369,381,419,435,438,461,473,476,500,508,515,529,550,562,588,591,597,626,640,648,660,661,676,683,719,724,748,750,753,759,787,791,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0422_00013 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0422_00014 13,15,35,44,68,73,89,126,128,129,134,153,154,170,173,200,206,210,215,220,245,260,264,268,269,277,282,311,316,320,326,327,330,334,346,347,353,362,369,400,405,435,461,467,477,486,504,508,515,534,540,550,562,575,608,620,624,626,628,640,651,657,661,676,683,701,719,727,733,734,754,760,770,787,791,793,796,804,827,863,883,936,939,947,948,962,968,974,1023 +0422_00015 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0422_00016 15,16,17,21,35,89,134,170,195,210,215,220,226,245,260,269,311,320,330,335,347,350,353,361,369,381,419,435,438,461,464,473,476,481,500,508,515,529,550,562,588,591,626,640,648,661,676,683,719,724,727,748,750,753,759,798,811,827,863,872,918,935,936,947,948,968,970,974,996,1006 +0422_00017 4,60,129,134,148,201,226,278,304,347,353,362,508,514,515,549,550,578,626,627,640,666,705,712,735,764,778,825,850,858,881,931,948,968,990,999 +0422_00018 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0422_00019 15,17,44,73,89,129,134,206,226,245,264,282,334,353,362,369,381,405,444,461,476,503,508,515,529,534,540,550,575,624,626,636,637,640,657,661,676,683,735,750,759,796,844,904,947,962,968,979,991 +0422_00020 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0422_00021 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0422_00022 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0422_00023 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +0422_00024 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0422_00025 15,17,57,73,89,94,96,107,134,145,192,245,308,321,334,353,380,389,421,461,487,493,508,515,529,534,550,573,592,596,601,604,626,640,661,670,676,683,735,750,759,773,783,831,849,936,947,950,968 +0422_00026 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0422_00027 4,9,15,17,30,134,158,159,201,223,226,243,245,335,347,353,438,446,461,508,513,515,529,549,550,554,570,573,626,640,661,662,666,676,683,686,705,707,736,748,750,759,766,772,778,827,858,899,935,936,947,948,968,978,979,997 +0422_00028 9,15,128,134,139,200,223,243,245,259,260,316,335,347,353,425,438,446,461,469,499,505,508,513,515,549,550,554,570,573,619,620,626,640,661,676,683,733,736,748,778,827,899,936,947,948,951,968,978,1016,1017 +0422_00029 9,15,17,96,134,145,200,223,243,245,249,335,353,421,438,446,461,487,508,513,515,529,536,550,554,570,573,619,626,640,661,676,683,736,748,750,759,766,812,827,899,935,947,968,978,987,997 +0422_00030 13,15,17,44,68,73,89,96,134,145,206,245,264,282,334,353,362,380,405,421,461,477,487,508,515,529,534,540,550,575,592,624,626,640,657,661,676,683,735,750,759,796,903,947,962,968,979,991 +0422_00031 15,16,17,26,93,98,134,245,260,326,335,347,350,353,379,438,459,461,481,500,505,508,515,529,549,550,626,640,661,666,676,683,748,750,759,775,778,797,798,812,827,835,918,922,935,936,947,948,968,980,1006,1007 +0422_00032 15,16,17,26,93,96,134,145,190,245,249,326,335,350,353,379,407,421,438,459,461,487,500,508,515,529,550,626,640,661,676,683,748,750,759,797,798,827,835,918,922,935,947,968,987,1006,1007 +0422_00033 9,15,17,134,200,223,243,245,260,335,347,353,438,446,461,481,505,508,513,515,529,549,550,554,570,573,619,626,640,661,666,676,683,736,748,750,759,766,778,812,827,899,935,936,947,948,968,978,980,997,1016 diff --git a/processed_data/0422/0422_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0422/0422_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..ab2771ffb --- /dev/null +++ b/processed_data/0422/0422_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 20,94,134,169,211,226,266,353,369,381,454,456,476,477,508,515,550,626,635,640,727,897,968,998 +0422_00002 15,54,85,89,93,134,153,167,192,197,200,216,220,245,274,300,301,303,311,326,347,351,353,397,400,442,452,461,493,508,515,533,544,557,562,566,567,568,602,626,640,674,689,705,719,743,748,765,810,839,845,936,938,968,974,1001,1012,1016 +0422_00003 15,20,21,26,39,66,73,89,94,97,134,141,147,148,161,187,193,209,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,588,595,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,1015 +0422_00004 20,94,129,134,169,456,508,550,620,626,635,640,676,727,733,897,947,966,968,1002 +0422_00005 20,29,68,94,134,170,181,226,352,353,456,489,496,508,515,550,626,635,640,657,665,676,727,928,947,968 +0422_00006 20,94,134,153,231,270,281,295,334,452,480,508,522,550,620,626,640,676,702,727,733,947,968,970 +0422_00007 4,20,94,134,163,169,201,226,347,353,454,456,486,508,515,549,550,626,635,640,666,705,727,778,800,856,858,897,948,968,998,999 +0422_00008 14,15,41,54,134,147,167,192,206,245,274,353,369,397,400,452,461,508,515,544,566,568,569,626,640,743,748,839,845,930,968,1001,1016 +0422_00009 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0422_00010 15,16,17,21,30,58,89,92,93,134,153,177,195,200,220,226,245,247,260,269,278,279,298,300,321,330,335,337,347,351,353,361,369,381,419,423,438,442,461,471,476,493,500,508,511,515,523,529,533,550,555,557,562,588,591,626,635,640,648,651,661,676,683,691,700,719,748,750,759,785,798,808,811,827,872,918,927,935,936,947,948,968,970,974,994,996,1006,1015 +0422_00011 20,72,94,134,141,177,188,261,304,469,508,510,550,551,620,626,640,676,712,720,727,733,741,763,825,850,947,968 +0422_00012 15,16,17,21,30,85,89,92,93,134,153,195,200,216,220,226,245,269,278,300,311,326,330,335,347,351,353,361,369,381,419,438,442,461,476,493,500,508,515,523,529,533,550,557,562,588,591,602,626,640,648,661,676,683,689,719,743,748,750,759,798,811,827,872,918,935,936,947,968,970,974,996,1006 +0422_00013 4,20,94,133,134,141,160,177,188,238,284,304,328,347,349,368,469,508,510,515,549,551,626,640,705,727,778,825,850,856,931,948,968 +0422_00014 13,15,44,58,73,85,89,90,123,128,129,134,153,180,187,200,216,220,241,245,247,260,264,290,300,311,316,320,322,324,326,334,337,347,351,353,418,423,442,445,446,456,461,467,483,486,493,504,508,515,534,540,550,562,590,597,602,620,626,640,661,676,683,691,711,719,720,733,743,747,787,793,796,798,801,817,822,827,864,927,936,947,948,962,968,974,980 +0422_00015 4,20,94,95,134,141,148,177,188,201,226,268,304,347,353,362,469,508,510,515,549,550,551,626,640,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0422_00016 15,16,17,21,30,58,89,92,134,195,200,220,226,244,245,247,260,269,300,330,335,337,347,353,361,369,381,419,423,438,461,463,476,493,500,508,515,523,529,533,550,557,562,588,591,626,640,648,661,676,683,691,719,748,750,759,798,811,827,872,918,927,935,936,947,948,968,970,974,996,1006 +0422_00017 4,60,129,134,148,201,226,278,304,347,353,362,508,514,515,549,550,578,626,627,640,666,705,712,735,764,778,825,850,858,881,931,948,968,990,999 +0422_00018 15,16,17,26,93,134,195,226,245,269,326,335,353,361,369,379,381,438,461,476,500,508,515,527,529,550,626,640,661,676,683,748,750,753,759,797,798,811,827,835,918,922,935,936,947,968,970,1006,1007 +0422_00019 15,17,44,73,89,129,134,175,226,245,264,279,290,322,334,344,353,369,381,444,446,456,461,476,483,503,508,515,529,532,534,540,550,626,640,661,676,683,735,750,752,759,782,787,796,864,947,962,968,979 +0422_00020 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0422_00021 13,15,17,44,68,73,89,129,134,206,245,264,268,269,282,334,353,362,405,461,508,515,529,534,540,550,575,620,624,626,640,657,661,676,683,733,735,750,759,796,827,947,962,968,979,991 +0422_00022 9,15,17,134,139,200,223,243,245,335,353,438,446,461,499,508,513,515,529,550,554,570,573,619,620,626,640,661,676,683,733,736,748,750,759,766,827,899,935,936,947,968,978,997,1016 +0422_00023 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +0422_00024 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0422_00025 15,17,39,57,73,89,96,134,145,231,245,332,334,353,380,413,421,461,475,487,490,491,508,515,529,533,534,550,573,592,596,607,626,640,661,666,668,676,683,735,750,759,831,888,936,947,968 +0422_00026 4,15,16,17,26,93,134,201,226,245,269,272,316,326,335,347,353,379,438,461,500,508,515,527,529,549,550,626,640,661,662,666,676,683,705,707,748,750,759,778,797,798,811,827,835,858,918,922,935,936,947,948,968,979,1006,1007 +0422_00027 4,9,15,17,30,134,158,159,201,223,226,243,245,335,347,353,438,446,461,508,513,515,529,549,550,554,570,573,626,640,661,662,666,676,683,686,705,707,736,748,750,759,766,772,778,827,858,899,935,936,947,948,968,978,979,997 +0422_00028 9,15,128,134,139,200,223,243,245,259,260,316,335,347,353,425,438,446,461,469,499,505,508,513,515,549,550,554,570,573,619,620,626,640,661,676,683,733,736,748,778,827,899,936,947,948,951,968,978,1016,1017 +0422_00029 9,15,17,96,134,145,200,223,243,245,249,335,353,421,438,446,461,487,508,513,515,529,536,550,554,570,573,619,626,640,661,676,683,736,748,750,759,766,812,827,899,935,947,968,978,987,997 +0422_00030 15,17,44,58,73,89,96,134,145,245,264,290,322,334,353,380,421,446,456,461,483,487,508,515,529,534,540,550,592,626,640,661,676,683,735,750,752,759,787,796,798,801,864,947,962,968,970,979 +0422_00031 15,16,17,26,93,98,134,245,260,326,335,347,350,353,379,438,459,461,481,500,505,508,515,529,549,550,626,640,661,666,676,683,748,750,759,775,778,797,798,812,827,835,918,922,935,936,947,948,968,980,1006,1007 +0422_00032 15,16,17,26,93,96,134,145,190,245,249,326,335,350,353,379,407,421,438,459,461,487,500,508,515,529,550,626,640,661,676,683,748,750,759,797,798,827,835,918,922,935,947,968,987,1006,1007 +0422_00033 9,15,17,134,200,223,243,245,260,335,347,353,438,446,461,481,505,508,513,515,529,549,550,554,570,573,619,626,640,661,666,676,683,736,748,750,759,766,778,812,827,899,935,936,947,948,968,978,980,997,1016 diff --git a/processed_data/0422/0422_fingerprints_maccs_canonical_success.tsv b/processed_data/0422/0422_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..970797449 --- /dev/null +++ b/processed_data/0422/0422_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00002 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0422_00003 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00004 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0422_00005 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00006 104,113,123,127,131,132,139,143,146,152,154,155,157,159,162,163,164,165 +0422_00007 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00008 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00009 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00010 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0422_00011 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0422_00012 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0422_00013 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0422_00014 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0422_00015 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00016 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00017 72,93,99,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00018 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00019 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00020 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00021 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0422_00022 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0422_00023 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00024 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00025 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00026 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00027 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00028 57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0422_00029 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0422_00030 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0422_00031 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00032 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00033 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0422/0422_fingerprints_maccs_isomeric_success.tsv b/processed_data/0422/0422_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..970797449 --- /dev/null +++ b/processed_data/0422/0422_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 54,72,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00002 53,54,57,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0422_00003 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00004 113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0422_00005 53,89,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00006 104,113,123,127,131,132,139,143,146,152,154,155,157,159,162,163,164,165 +0422_00007 72,93,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00008 54,57,72,89,98,105,113,123,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00009 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0422_00010 53,54,57,62,72,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0422_00011 99,113,123,127,131,139,143,146,152,154,157,159,162,163,164,165 +0422_00012 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,162,163,164,165 +0422_00013 72,89,93,99,113,123,126,127,131,139,140,143,144,146,149,150,152,154,157,159,160,162,163,164,165 +0422_00014 53,54,57,62,72,82,89,90,91,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,150,152,153,154,155,157,159,160,162,163,164,165 +0422_00015 72,93,99,113,123,126,127,131,139,140,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00016 53,54,57,62,72,89,98,105,113,120,123,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00017 72,93,99,113,126,127,139,143,144,146,150,152,154,157,159,160,162,163,164,165 +0422_00018 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00019 53,54,57,62,72,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00020 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00021 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0422_00022 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0422_00023 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00024 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00025 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00026 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00027 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00028 57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 +0422_00029 53,57,62,89,98,105,113,125,127,131,137,139,140,143,145,146,152,154,157,159,162,163,164,165 +0422_00030 53,57,62,89,91,98,105,113,125,127,131,132,137,139,140,143,144,145,146,152,154,157,159,162,163,164,165 +0422_00031 53,57,62,72,89,93,98,105,113,125,126,127,131,137,139,140,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0422_00032 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0422_00033 53,57,62,89,93,98,105,113,125,126,127,131,137,139,140,143,145,146,152,154,157,159,160,162,163,164,165 diff --git a/processed_data/0422/0422_fingerprints_pubchem_canonical_success.tsv b/processed_data/0422/0422_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..bd5511d3d --- /dev/null +++ b/processed_data/0422/0422_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0422_00002 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0422_00003 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0422_00004 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0422_00005 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0422_00006 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0422_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0422_00008 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0422_00009 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00010 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00011 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0422_00012 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00013 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0422_00014 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10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00016 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00017 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00018 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00019 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00021 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00022 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00023 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0422_00024 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00025 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10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00027 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10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00029 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10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00031 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00032 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 diff --git a/processed_data/0422/0422_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0422/0422_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..bd5511d3d --- /dev/null +++ b/processed_data/0422/0422_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,34 @@ +id bits.on +0422_00001 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,568,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0422_00002 10,11,12,19,20,21,22,179,180,182,186,189,193,256,257,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0422_00003 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0422_00004 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,624,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,715,778 +0422_00005 10,11,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,720,736,757,783,799,820 +0422_00006 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,598,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0422_00007 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,702,705,706,709,710,711,715,736,762,778,799,825 +0422_00008 10,11,12,19,20,21,179,180,182,186,256,257,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,695,697,699,700,701,702,705,706,707,709,710,711,715,720,736,741,757,762,778,783,799,804,820,825 +0422_00009 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00010 10,11,12,13,19,20,21,22,23,179,180,182,186,187,189,193,196,200,207,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00011 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,549,553,554,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0422_00012 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00013 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,691,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0422_00014 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00015 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00016 10,11,12,13,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,260,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,606,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00017 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,435,437,442,444,447,449,471,477,491,499,517,521,525,542,543,545,549,553,554,557,565,566,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0422_00018 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00019 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00020 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00021 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00022 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00023 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +0422_00024 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00025 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,549,553,554,557,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00026 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00027 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0422_00028 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00029 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00030 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00031 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00032 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +0422_00033 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 diff --git a/processed_data/0422/0422_gradient.tsv b/processed_data/0422/0422_gradient.tsv new file mode 100644 index 000000000..bbcbea22c --- /dev/null +++ b/processed_data/0422/0422_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +16 0.3 5 95 diff --git a/processed_data/0422/0422_info.tsv b/processed_data/0422/0422_info.tsv new file mode 100644 index 000000000..c195218c6 --- /dev/null +++ b/processed_data/0422/0422_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0422 10.1016/j.foodchem.2018.09.045 Submitted by Fangyuan Sun Vesna Vasić, Uroš Gašić, Dalibor Stanković, Dražen Lušić, Darija Vukić-Lušić, Dušanka Milojković-Opsenica, Živoslav Tešić, Jelena Trifković ROASMI_2 column temperature diff --git a/processed_data/0422/0422_metadata.tsv b/processed_data/0422/0422_metadata.tsv new file mode 100644 index 000000000..bcb0ec1f3 --- /dev/null +++ b/processed_data/0422/0422_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit column.t0 +0422 Thermo Scientific Syncronis C18 L1 100.0 2.1 1.7 0.3 100 0 0 0 0 0 0 0 0 0.0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 5.0 95.0 0 0 % % % % 0.735 diff --git a/processed_data/0422/0422_report_canonical.pdf b/processed_data/0422/0422_report_canonical.pdf new file mode 100644 index 000000000..9336c0c4e Binary files /dev/null and b/processed_data/0422/0422_report_canonical.pdf differ diff --git a/processed_data/0422/0422_report_isomeric.pdf b/processed_data/0422/0422_report_isomeric.pdf new file mode 100644 index 000000000..e254cd915 Binary files /dev/null and b/processed_data/0422/0422_report_isomeric.pdf differ diff --git a/processed_data/0422/0422_rtdata_canonical_success.tsv b/processed_data/0422/0422_rtdata_canonical_success.tsv new file mode 100644 index 000000000..fe63b4e80 --- /dev/null +++ b/processed_data/0422/0422_rtdata_canonical_success.tsv @@ -0,0 +1,34 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0422_00001 C7H6O4 4.44 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00002 C15H16O9 4.91 C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0422_00003 C16H18O9 5.26 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0422_00004 C7H6O3 5.41 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00005 C7H6O4 5.48 C1=CC(=C(C=C1O)C(=O)O)O InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) WXTMDXOMEHJXQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00006 C8H8O3 5.62 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0422_00007 C8H8O4 5.63 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0422_00008 C9H6O4 5.77 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0422_00009 C9H8O4 5.8 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00010 C27H30O16 6.44 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 IKGXIBQEEMLURG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00011 C9H8O3 6.68 C1=CC(=CC=C1C=CC(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) NGSWKAQJJWESNS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00012 C21H20O12 6.71 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2 OVSQVDMCBVZWGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00013 C11H12O5 7.02 COC1=CC(=CC(=C1O)OC)C=CC(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13) PCMORTLOPMLEFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00014 C27H32O14 7.03 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3 DFPMSGMNTNDNHN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0422_00015 C10H10O4 7.04 COC1=C(C=CC(=C1)C=CC(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) KSEBMYQBYZTDHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00016 C21H20O11 7.17 CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3 OXGUCUVFOIWWQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00017 C10H10O3 7.9 COC1=C(C=CC(=C1)C=CC=O)O InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3 DKZBBWMURDFHNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0422_00018 C15H10O7 8.24 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00019 C15H12O6 8.59 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 SBHXYTNGIZCORC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00020 C15H10O6 8.69 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00021 C15H12O5 9.44 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00022 C15H10O5 9.52 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00023 C15H10O5 9.53 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0422_00024 C15H10O6 9.7 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00025 C15H12O5 9.74 C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H SUYJZKRQHBQNCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0422_00026 C16H12O7 9.87 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00027 C16H12O6 9.94 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3 SCZVLDHREVKTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 3'-O-methylated flavonoids (CHEMONTID:0002595) NA (NA) +0422_00028 C16H12O5 10.75 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 JPMYFOBNRRGFNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0422_00029 C15H10O4 11.61 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00030 C15H12O4 11.7 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2 URFCJEUYXNAHFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00031 C16H12O6 11.82 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 SQFSKOYWJBQGKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00032 C15H10O5 11.84 C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H VCCRNZQBSJXYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00033 C16H12O5 12.2 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 DANYIYRPLHHOCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) diff --git a/processed_data/0422/0422_rtdata_isomeric_success.tsv b/processed_data/0422/0422_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..1091a58f5 --- /dev/null +++ b/processed_data/0422/0422_rtdata_isomeric_success.tsv @@ -0,0 +1,34 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0422_00001 C7H6O4 4.44 C1=CC(=C(C=C1C(=O)O)O)O InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) YQUVCSBJEUQKSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00002 C15H16O9 4.91 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 XHCADAYNFIFUHF-TVKJYDDYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Coumarin glycosides (CHEMONTID:0001743) NA (NA) NA (NA) +0422_00003 C16H18O9 5.26 C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 CWVRJTMFETXNAD-NXLLHMKUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0422_00004 C7H6O3 5.41 C1=CC(=CC=C1C(=O)O)O InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FJKROLUGYXJWQN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00005 C7H6O4 5.48 C1=CC(=C(C=C1O)C(=O)O)O InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) WXTMDXOMEHJXQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) NA (NA) +0422_00006 C8H8O3 5.62 C1=CC(=CC=C1CC(=O)O)O InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0422_00007 C8H8O4 5.63 COC1=C(C=CC(=C1)C(=O)O)O InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) WKOLLVMJNQIZCI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Methoxybenzoic acids and derivatives (CHEMONTID:0002344) M-methoxybenzoic acids and derivatives (CHEMONTID:0002347) +0422_00008 C9H6O4 5.77 C1=CC(=O)OC2=CC(=C(C=C21)O)O InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 6,7-dihydroxycoumarins (CHEMONTID:0002643) NA (NA) +0422_00009 C9H8O4 5.8 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00010 C27H30O16 6.44 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 IKGXIBQEEMLURG-NVPNHPEKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00011 C9H8O3 6.68 C1=CC(=CC=C1/C=C/C(=O)O)O InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ NGSWKAQJJWESNS-ZZXKWVIFSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00012 C21H20O12 6.71 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 OVSQVDMCBVZWGM-QSOFNFLRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00013 C11H12O5 7.02 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ PCMORTLOPMLEFB-ONEGZZNKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00014 C27H32O14 7.03 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 DFPMSGMNTNDNHN-ZPHOTFPESA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0422_00015 C10H10O4 7.04 COC1=C(C=CC(=C1)/C=C/C(=O)O)O InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0422_00016 C21H20O11 7.17 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 OXGUCUVFOIWWQJ-HQBVPOQASA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-3-O-glycosides (CHEMONTID:0003531) +0422_00017 C10H10O3 7.9 COC1=C(C=CC(=C1)/C=C/C=O)O InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ DKZBBWMURDFHNE-NSCUHMNNSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0422_00018 C15H10O7 8.24 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00019 C15H12O6 8.59 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 SBHXYTNGIZCORC-ZDUSSCGKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00020 C15H10O6 8.69 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00021 C15H12O5 9.44 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2 FTVWIRXFELQLPI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00022 C15H10O5 9.52 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00023 C15H10O5 9.53 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0422_00024 C15H10O6 9.7 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00025 C15H12O5 9.74 C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1 SUYJZKRQHBQNCA-LSDHHAIUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) Flavanonols (CHEMONTID:0001362) +0422_00026 C16H12O7 9.87 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 IZQSVPBOUDKVDZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00027 C16H12O6 9.94 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3 SCZVLDHREVKTSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 3'-O-methylated flavonoids (CHEMONTID:0002595) NA (NA) +0422_00028 C16H12O5 10.75 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 JPMYFOBNRRGFNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 7-O-methylated flavonoids (CHEMONTID:0002592) NA (NA) +0422_00029 C15H10O4 11.61 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H RTIXKCRFFJGDFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0422_00030 C15H12O4 11.7 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 URFCJEUYXNAHFI-ZDUSSCGKSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavanones (CHEMONTID:0001632) NA (NA) +0422_00031 C16H12O6 11.82 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3 SQFSKOYWJBQGKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00032 C15H10O5 11.84 C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H VCCRNZQBSJXYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0422_00033 C16H12O5 12.2 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 DANYIYRPLHHOCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) O-methylated flavonoids (CHEMONTID:0002585) 4'-O-methylated flavonoids (CHEMONTID:0002596) NA (NA) diff --git a/processed_data/0422/0422_validation_qspr_outliers.tsv b/processed_data/0422/0422_validation_qspr_outliers.tsv new file mode 100644 index 000000000..82cd60f38 --- /dev/null +++ b/processed_data/0422/0422_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0422_00026 2.157305077135053 diff --git a/processed_data/0423/0423_descriptors_canonical_success.tsv b/processed_data/0423/0423_descriptors_canonical_success.tsv new file mode 100644 index 000000000..78f819825 --- /dev/null +++ b/processed_data/0423/0423_descriptors_canonical_success.tsv @@ -0,0 +1,45 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 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b/processed_data/0423/0423_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..78f819825 --- /dev/null +++ b/processed_data/0423/0423_descriptors_isomeric_success.tsv @@ -0,0 +1,45 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 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b/processed_data/0423/0423_fingerprints_ecfp6_canonical_success.tsv new file mode 100644 index 000000000..ce97e6541 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_ecfp6_canonical_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0423_00002 14,20,29,102,114,134,137,138,144,153,158,170,207,238,262,270,272,286,292,353,360,373,404,451,453,461,465,497,508,516,552,570,581,582,621,629,650,657,670,685,706,707,713,748,769,837,847,850,867,881,930,948,968,980,983,989,998,1012 +0423_00003 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0423_00004 4,15,60,134,153,175,190,233,244,252,340,347,356,400,437,439,450,472,524,549,550,555,622,662,705,709,719,725,744,778,837,838,861,873,889,947,948,968,972,994,1009,1012 +0423_00005 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61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0423_00026 20,72,94,96,129,134,160,169,241,272,322,335,336,405,456,474,487,508,524,540,543,548,550,603,626,635,652,654,662,714,727,746,759,794,885,897,900,936,947,963,968,1016 +0423_00027 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0423_00028 1,2,9,15,20,64,67,89,94,96,98,134,135,137,144,145,150,153,161,162,175,193,207,214,231,250,256,258,305,328,350,373,390,396,416,421,431,463,487,507,508,522,524,550,565,603,626,647,673,678,694,709,720,727,762,772,778,784,787,799,837,863,941,948,953,968,977,994,996 +0423_00029 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0423_00030 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0423_00031 3,15,20,89,108,140,153,175,197,207,212,237,254,263,287,326,347,396,397,415,417,453,473,497,503,508,524,586,595,601,608,626,666,694,727,748,772,778,802,852,922,930,948,954,964,994,1008 +0423_00032 10,15,26,35,47,52,71,89,105,130,134,143,144,153,168,170,171,185,189,196,201,206,233,239,244,245,251,256,259,260,265,280,282,286,288,298,313,341,342,347,350,352,382,415,425,430,435,437,461,466,467,488,499,508,523,524,526,530,533,534,538,545,549,580,584,594,618,626,639,651,656,658,670,679,689,696,704,711,713,717,719,744,763,771,776,780,799,812,819,821,852,853,855,863,867,869,883,885,894,895,903,906,916,925,936,937,938,947,948,961,964,970,974,981,987,990,994,1015 +0423_00033 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0423_00034 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0423_00035 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0423_00036 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0423_00037 35,57,96,134,145,302,374,421,444,468,487,508,550,626,825,843,901,954,968 +0423_00038 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0423_00039 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0423_00040 11,15,20,57,97,102,134,151,177,207,252,347,351,352,367,482,497,502,508,533,596,640,727,755,773,802,948 +0423_00041 5,20,96,134,144,145,146,153,182,196,214,217,347,376,379,388,397,405,413,421,425,470,486,487,508,510,550,596,615,617,619,628,669,670,720,727,737,741,763,765,773,800,807,838,846,872,894,948,955,968,979,985,1019 +0423_00042 6,57,62,96,134,145,153,207,270,288,293,347,379,421,442,487,502,508,550,571,588,593,621,651,668,669,670,713,766,802,915,938,948,954,968,974 +0423_00043 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0423_00044 57,62,153,183,271,345,347,430,492,508,525,763,778,789,815,826,948,954,973,994 diff --git a/processed_data/0423/0423_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0423/0423_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..a782f2cd9 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0423_00002 14,20,29,102,114,134,137,138,144,153,158,170,207,238,262,270,272,286,292,353,360,373,404,451,453,461,465,497,508,516,552,570,581,582,621,629,650,657,670,685,706,707,713,748,769,837,847,850,867,881,930,948,968,980,983,989,998,1012 +0423_00003 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0423_00004 4,15,60,134,153,175,190,233,244,252,340,347,356,400,437,439,450,472,524,549,550,555,622,662,705,709,719,725,744,778,837,838,861,873,889,947,948,968,972,994,1009,1012 +0423_00005 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0423_00006 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0423_00007 9,96,133,134,146,149,162,172,201,236,369,392,405,444,448,461,481,487,508,516,532,550,580,585,605,617,632,670,716,717,733,770,809,842,862,879,887,968,992 +0423_00008 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0423_00009 1,15,20,41,62,89,111,115,153,160,168,206,207,218,221,284,299,303,324,345,347,379,390,416,455,461,477,485,498,500,508,516,524,554,562,569,603,606,626,645,662,666,686,687,699,710,719,727,739,776,797,802,810,843,850,866,887,915,936,948,959,964,974,994,1008,1015 +0423_00010 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0423_00011 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0423_00012 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0423_00013 20,22,38,134,153,182,189,220,278,288,314,319,366,367,386,419,480,487,502,508,516,550,596,649,652,670,727,772,781,852,862,897,911,948,968,987,994 +0423_00014 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0423_00015 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0423_00016 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0423_00017 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0423_00018 56,120,134,152,363,405,452,485,543,638,662,744,760,794,913,948,968 +0423_00019 47,96,124,134,139,145,204,220,245,249,307,375,421,459,487,508,513,520,524,550,560,572,588,626,638,686,808,943,948,952,968,1000 +0423_00020 45,51,53,134,153,181,185,206,207,227,233,235,259,260,265,270,278,281,292,347,349,352,385,390,392,427,430,432,502,516,550,573,583,626,649,691,725,728,761,776,779,790,800,802,812,820,867,915,943,948,957,968,1019 +0423_00021 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0423_00022 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0423_00023 56,98,134,152,220,341,405,424,437,452,485,528,543,552,587,638,649,662,698,710,713,714,794,833,948,968 +0423_00024 25,86,134,168,182,198,220,263,270,276,303,305,319,346,363,367,405,425,428,487,493,524,550,560,711,728,768,773,776,781,808,846,858,876,912,919,948,968,971,985 +0423_00025 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0423_00026 20,72,94,96,129,134,160,169,241,272,322,335,336,405,456,474,487,508,524,540,543,548,550,603,626,635,652,654,662,714,727,746,759,794,885,897,900,936,947,963,968,1016 +0423_00027 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0423_00028 1,2,9,15,20,64,67,89,94,96,98,134,135,137,144,145,150,153,161,162,175,193,207,214,231,250,256,258,305,328,350,373,390,396,416,421,431,463,487,507,508,522,524,550,565,603,626,647,673,678,694,709,720,727,762,772,778,784,787,799,837,863,941,948,953,968,977,994,996 +0423_00029 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0423_00030 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0423_00031 3,15,20,89,108,140,153,175,197,207,212,237,254,263,287,326,347,396,397,415,417,453,473,497,503,508,524,586,595,601,608,626,666,694,727,748,772,778,802,852,922,930,948,954,964,994,1008 +0423_00032 15,24,26,50,52,89,92,103,105,109,118,130,134,144,153,155,165,168,173,174,180,200,211,223,225,237,244,245,249,259,260,272,280,288,298,303,313,327,331,332,347,366,367,380,382,391,393,398,404,406,422,425,430,433,444,461,466,467,468,473,488,493,499,508,533,534,545,548,549,554,557,569,572,579,584,590,597,612,626,639,670,679,696,704,719,723,726,734,776,780,795,819,837,851,852,854,855,867,869,898,906,919,925,936,948,962,963,964,974,983,984,985,987,994,1021 +0423_00033 9,20,26,134,153,220,389,401,451,487,508,515,545,550,670,686,707,727,745,771,773,781,783,802,852,897,898,942,948,968,983,994,999 +0423_00034 13,20,52,60,95,134,153,182,207,220,261,300,308,332,338,347,367,406,407,411,413,480,487,508,549,550,607,670,717,727,781,802,827,832,837,863,896,898,907,948,968,1001 +0423_00035 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0423_00036 20,31,38,68,80,81,96,106,134,181,185,211,223,241,251,300,320,331,337,347,356,367,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,610,618,686,705,727,728,732,733,754,758,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0423_00037 35,57,96,134,145,302,374,421,444,468,487,508,550,626,825,843,901,954,968 +0423_00038 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0423_00039 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0423_00040 11,15,20,57,97,102,134,151,177,207,252,347,351,352,367,482,497,502,508,533,596,640,727,755,773,802,948 +0423_00041 5,20,96,134,144,145,146,153,182,196,214,217,347,376,379,388,397,405,413,421,425,470,486,487,508,510,550,596,615,617,619,628,669,670,720,727,737,741,763,765,773,800,807,838,846,872,894,948,955,968,979,985,1019 +0423_00042 6,57,62,96,134,145,153,207,270,288,293,347,379,421,442,487,502,508,550,571,588,593,621,651,668,669,670,713,766,802,915,938,948,954,968,974 +0423_00043 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0423_00044 57,62,153,183,271,345,347,430,492,508,525,763,778,789,815,826,948,954,973,994 diff --git a/processed_data/0423/0423_fingerprints_maccs_canonical_success.tsv b/processed_data/0423/0423_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..463c4f169 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0423_00002 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0423_00003 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00004 72,75,79,82,85,86,89,91,93,97,98,100,104,108,111,113,118,120,121,122,126,127,129,137,138,141,142,143,144,145,146,147,148,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00005 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0423_00006 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0423_00007 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0423_00008 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00009 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00010 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0423_00011 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0423_00012 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00013 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0423_00014 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0423_00015 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0423_00016 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0423_00017 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00018 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,161,162,163,165 +0423_00019 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0423_00020 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0423_00021 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00022 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0423_00023 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0423_00024 36,47,52,65,77,79,80,81,83,85,88,94,96,101,105,106,120,121,122,124,137,142,148,156,160,161,162,163,165 +0423_00025 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0423_00026 38,52,62,65,69,70,77,79,80,83,94,96,120,121,123,124,125,130,131,137,139,142,144,145,150,151,154,156,157,159,161,162,163,164,165 +0423_00027 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0423_00028 66,74,75,85,86,90,91,98,100,104,111,112,118,121,122,123,125,128,129,131,132,137,138,139,140,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0423_00029 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0423_00030 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0423_00031 23,75,82,85,91,97,98,100,104,106,109,110,111,114,115,117,118,121,122,123,126,128,129,132,137,138,139,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00032 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00033 85,86,92,100,110,114,116,117,122,138,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0423_00034 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00035 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0423_00036 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0423_00037 29,30,102,112,124,125,145,148,162,163,164,165 +0423_00038 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0423_00039 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00040 21,36,50,74,76,81,83,88,89,96,99,120,123,126,136,137,138,140,141,146,147,149,152,153,154,157,159,160,164,165 +0423_00041 36,47,65,72,81,83,85,88,92,93,95,96,105,106,109,110,111,113,116,117,120,121,122,125,126,127,132,133,135,137,142,143,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00042 29,48,67,74,81,88,102,106,112,124,126,130,141,146,148,149,152,153,155,157,159,160,162,163,164,165 +0423_00043 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0423_00044 29,48,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 diff --git a/processed_data/0423/0423_fingerprints_maccs_isomeric_success.tsv b/processed_data/0423/0423_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..463c4f169 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0423_00002 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0423_00003 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00004 72,75,79,82,85,86,89,91,93,97,98,100,104,108,111,113,118,120,121,122,126,127,129,137,138,141,142,143,144,145,146,147,148,149,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00005 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0423_00006 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0423_00007 32,33,38,51,55,58,59,60,61,64,65,67,69,73,77,81,84,88,94,97,98,102,106,112,117,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0423_00008 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00009 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00010 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0423_00011 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0423_00012 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00013 79,85,86,91,92,95,100,104,110,111,114,116,117,122,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0423_00014 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0423_00015 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0423_00016 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0423_00017 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00018 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,161,162,163,165 +0423_00019 52,62,65,75,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,137,142,143,144,148,149,150,154,156,158,160,161,162,163,164,165 +0423_00020 54,72,74,82,86,90,95,97,100,104,108,109,113,116,126,127,129,131,132,138,139,140,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0423_00021 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0423_00022 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0423_00023 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0423_00024 36,47,52,65,77,79,80,81,83,85,88,94,96,101,105,106,120,121,122,124,137,142,148,156,160,161,162,163,165 +0423_00025 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0423_00026 38,52,62,65,69,70,77,79,80,83,94,96,120,121,123,124,125,130,131,137,139,142,144,145,150,151,154,156,157,159,161,162,163,164,165 +0423_00027 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0423_00028 66,74,75,85,86,90,91,98,100,104,111,112,118,121,122,123,125,128,129,131,132,137,138,139,140,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0423_00029 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0423_00030 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0423_00031 23,75,82,85,91,97,98,100,104,106,109,110,111,114,115,117,118,121,122,123,126,128,129,132,137,138,139,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00032 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0423_00033 85,86,92,100,110,114,116,117,122,138,141,148,149,153,154,155,156,158,160,161,162,163,164,165 +0423_00034 72,85,86,92,93,95,108,109,110,111,115,117,122,123,126,132,133,135,136,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00035 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0423_00036 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,140,142,143,144,145,146,149,150,152,154,156,157,159,160,161,162,163,164,165 +0423_00037 29,30,102,112,124,125,145,148,162,163,164,165 +0423_00038 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0423_00039 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00040 21,36,50,74,76,81,83,88,89,96,99,120,123,126,136,137,138,140,141,146,147,149,152,153,154,157,159,160,164,165 +0423_00041 36,47,65,72,81,83,85,88,92,93,95,96,105,106,109,110,111,113,116,117,120,121,122,125,126,127,132,133,135,137,142,143,145,148,153,154,155,156,157,158,159,160,161,162,163,164,165 +0423_00042 29,48,67,74,81,88,102,106,112,124,126,130,141,146,148,149,152,153,155,157,159,160,162,163,164,165 +0423_00043 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0423_00044 29,48,102,106,109,112,114,115,116,118,124,126,128,130,132,138,140,141,146,147,148,149,153,155,157,159,160,164 diff --git a/processed_data/0423/0423_fingerprints_pubchem_canonical_success.tsv b/processed_data/0423/0423_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..42a712177 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0423_00002 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0423_00003 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0423_00004 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,393,394,406,417,431,435,442,447,465,471,477,491,499,517,521,525,529,541,542,543,545,549,550,553,557,565,566,568,570,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,612,614,619,620,627,629,631,634,635,638,639,640,641,642,644,652,654,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,699,700,701,702,703,709,710,711,715,736,741,757,762,778,799,804,820,825 +0423_00005 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0423_00006 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0423_00007 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0423_00008 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0423_00009 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0423_00010 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0423_00011 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0423_00012 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0423_00013 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0423_00014 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0423_00015 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0423_00016 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0423_00017 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0423_00018 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,341,345,352,356,358,359,371,372,377,378,385,387,388,399,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0423_00019 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0423_00020 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,691,699,701,702,709,710,711,715,778 +0423_00021 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0423_00022 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0423_00023 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,738,759,771,801,822,834 +0423_00024 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,301,333,334,341,345,352,354,356,357,358,359,366,371,372,374,375,376,377,378,380,384,385,387,388,390,391,392,397,398,404,405,413,417,419,422,423,431,432,435,438,442,443,447,448,450,451,454,465,468,471,472,473,474,475,476,481,483,485,487,488,490,491,492,496,497,501,505,507,508,509,514,517,518,520,521,522,524,525,531,532,533,534,539,541,546,550,553,556,557,561,565,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,641,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,737,759,768,800,822,831 +0423_00025 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0423_00026 10,11,12,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,345,352,353,356,357,359,360,371,372,376,380,381,385,390,399,407,417,419,421,423,431,435,439,441,442,443,444,447,451,453,465,471,487,491,494,516,517,518,521,523,525,531,536,539,549,550,553,554,556,557,565,571,574,575,577,579,580,583,585,593,596,598,600,604,608,609,618,619,620,624,634,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,714,756,777,819 +0423_00027 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0423_00028 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,609,614,618,619,620,635,638,641,642,656,657,661,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,777 +0423_00029 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0423_00030 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0423_00031 10,11,12,15,19,20,179,181,182,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,452,453,541,572,583,593,613,614,618,638,639,646,647,657,680,681,684,689,690,699 +0423_00032 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0423_00033 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0423_00034 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0423_00035 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0423_00036 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0423_00037 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0423_00038 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0423_00039 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0423_00040 10,11,12,19,20,21,34,35,144,147,284,285,287,294,333,334,340,342,345,347,350,353,354,367,369,375,381,406,413,417,421,431,441,442,444,453,480,508,536,554,574,582,589,595,615,640,643,667 +0423_00041 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,333,341,345,347,352,353,354,356,358,359,366,367,371,372,375,377,378,384,385,387,388,391,392,397,404,406,413,417,419,421,422,432,435,438,440,442,443,444,447,450,452,454,463,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,538,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,768,831 +0423_00042 10,11,12,19,20,31,34,179,180,256,284,285,287,294,315,333,334,340,342,345,347,350,353,354,356,357,367,369,371,372,375,385,408,412,417,426,431,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0423_00043 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0423_00044 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457,638 diff --git a/processed_data/0423/0423_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0423/0423_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..42a712177 --- /dev/null +++ b/processed_data/0423/0423_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,45 @@ +id bits.on +0423_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0423_00002 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0423_00003 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0423_00004 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,393,394,406,417,431,435,442,447,465,471,477,491,499,517,521,525,529,541,542,543,545,549,550,553,557,565,566,568,570,571,574,575,576,579,583,585,590,593,595,596,600,604,605,607,608,609,612,614,619,620,627,629,631,634,635,638,639,640,641,642,644,652,654,656,657,661,663,665,667,669,678,679,680,681,683,684,689,690,691,692,699,700,701,702,703,709,710,711,715,736,741,757,762,778,799,804,820,825 +0423_00005 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0423_00006 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0423_00007 10,11,12,15,16,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,379,380,384,385,388,391,394,397,404,415,417,419,435,436,438,439,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,507,517,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0423_00008 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0423_00009 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0423_00010 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0423_00011 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0423_00012 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0423_00013 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0423_00014 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0423_00015 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0423_00016 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0423_00017 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0423_00018 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,341,345,352,356,358,359,371,372,377,378,385,387,388,399,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0423_00019 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,301,333,341,345,352,353,356,358,359,366,371,372,375,377,378,382,385,388,391,397,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,465,468,471,478,483,491,494,496,497,503,516,517,519,521,522,524,525,531,536,539,540,541,546,547,550,553,554,556,557,565,571,578,579,580,581,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0423_00020 10,11,12,13,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,691,699,701,702,709,710,711,715,778 +0423_00021 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0423_00022 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0423_00023 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,738,759,771,801,822,834 +0423_00024 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,301,333,334,341,345,352,354,356,357,358,359,366,371,372,374,375,376,377,378,380,384,385,387,388,390,391,392,397,398,404,405,413,417,419,422,423,431,432,435,438,442,443,447,448,450,451,454,465,468,471,472,473,474,475,476,481,483,485,487,488,490,491,492,496,497,501,505,507,508,509,514,517,518,520,521,522,524,525,531,532,533,534,539,541,546,550,553,556,557,561,565,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,614,619,629,634,635,641,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,737,759,768,800,822,831 +0423_00025 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0423_00026 10,11,12,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,345,352,353,356,357,359,360,371,372,376,380,381,385,390,399,407,417,419,421,423,431,435,439,441,442,443,444,447,451,453,465,471,487,491,494,516,517,518,521,523,525,531,536,539,549,550,553,554,556,557,565,571,574,575,577,579,580,583,585,593,596,598,600,604,608,609,618,619,620,624,634,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,713,714,756,777,819 +0423_00027 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0423_00028 10,11,12,13,14,15,19,20,21,179,180,181,182,186,187,193,194,200,256,258,260,284,285,286,287,309,333,334,335,336,338,340,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,392,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,541,549,553,557,565,571,572,574,575,579,580,583,585,593,596,598,600,604,609,614,618,619,620,635,638,641,642,656,657,661,665,668,669,678,679,680,681,683,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,777 +0423_00029 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0423_00030 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0423_00031 10,11,12,15,19,20,179,181,182,284,285,286,287,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,392,406,407,421,452,453,541,572,583,593,613,614,618,638,639,646,647,657,680,681,684,689,690,699 +0423_00032 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0423_00033 10,11,12,15,19,179,180,256,284,285,286,287,333,334,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,541,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,647,657,661,665,669,672,673,678,679,680,684,685,689,693,698,705,709,710,711,735,798 +0423_00034 10,11,12,15,19,20,21,179,180,256,284,285,286,287,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,536,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,606,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0423_00035 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0423_00036 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0423_00037 10,11,12,13,19,31,179,180,186,187,193,194,256,258,260,284,285,293,315,333,345,356,371,372,385,411,417,426,435,442,447,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0423_00038 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0423_00039 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0423_00040 10,11,12,19,20,21,34,35,144,147,284,285,287,294,333,334,340,342,345,347,350,353,354,367,369,375,381,406,413,417,421,431,441,442,444,453,480,508,536,554,574,582,589,595,615,640,643,667 +0423_00041 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,333,341,345,347,352,353,354,356,358,359,366,367,371,372,375,377,378,384,385,387,388,391,392,397,404,406,413,417,419,421,422,432,435,438,440,442,443,444,447,450,452,454,463,465,471,472,473,474,475,476,481,483,490,491,496,501,503,507,508,509,514,517,521,524,525,531,532,533,534,538,539,540,541,546,547,550,553,556,557,565,567,571,577,579,583,585,586,587,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,768,831 +0423_00042 10,11,12,19,20,31,34,179,180,256,284,285,287,294,315,333,334,340,342,345,347,350,353,354,356,357,367,369,371,372,375,385,408,412,417,426,431,435,442,447,457,471,491,517,521,525,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711 +0423_00043 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0423_00044 10,11,12,19,20,21,31,284,285,287,315,333,345,347,353,367,375,408,412,426,457,638 diff --git a/processed_data/0423/0423_gradient.tsv b/processed_data/0423/0423_gradient.tsv new file mode 100644 index 000000000..686ab88aa --- /dev/null +++ b/processed_data/0423/0423_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 90 10 +4 0.2 50 50 +17 0.2 5 95 +25 0.2 5 95 diff --git a/processed_data/0423/0423_info.tsv b/processed_data/0423/0423_info.tsv new file mode 100644 index 000000000..4cb22cf3a --- /dev/null +++ b/processed_data/0423/0423_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0423 10.1016/j.jhazmat.2020.123706 Submitted by Fangyuan Sun Younghun Choi, Ji-Ho Lee, Kyunghyun Kim, Hyunsaing Mun, Naree Park, Junho Jeon ROASMI_11 column id, temperature, length, particle size diff --git a/processed_data/0423/0423_metadata.tsv b/processed_data/0423/0423_metadata.tsv new file mode 100644 index 000000000..acb7b980f --- /dev/null +++ b/processed_data/0423/0423_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit column.t0 +0423 Waters XBridge C18 L1 0.2 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 5.0 95.0 0 0 % % % % diff --git a/processed_data/0423/0423_report_canonical.pdf b/processed_data/0423/0423_report_canonical.pdf new file mode 100644 index 000000000..7579dd8f3 Binary files /dev/null and b/processed_data/0423/0423_report_canonical.pdf differ diff --git a/processed_data/0423/0423_report_isomeric.pdf b/processed_data/0423/0423_report_isomeric.pdf new file mode 100644 index 000000000..d8bff489e Binary files /dev/null and b/processed_data/0423/0423_report_isomeric.pdf differ diff --git a/processed_data/0423/0423_rtdata_canonical_success.tsv b/processed_data/0423/0423_rtdata_canonical_success.tsv new file mode 100644 index 000000000..24149340d --- /dev/null +++ b/processed_data/0423/0423_rtdata_canonical_success.tsv @@ -0,0 +1,45 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0423_00001 C4H11N5 1.2 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0423_00002 C13H22N4O4S 1.2 CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 SKHXRNHSZTXSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0423_00003 C14H22N2O3 3.5 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0423_00004 C14H22N2O3 3.5 COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3 UHWVSEOVJBQKBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0423_00005 C10H16N6S 3.6 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0423_00006 C9H9N3O2S2 4.2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00007 C11H11N3O2S 4.4 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00008 C17H27N3O4S 4.6 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0423_00009 C18H34N2O6S 4.7 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00010 C14H18N4O3 4.7 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00011 C9H9N3O2 4.7 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0423_00012 C14H21NO4 4.7 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0423_00013 C14H22N2O 5.2 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0423_00014 C12H14N4O2S 5.2 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00015 C13H22N4O3S 5.6 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0423_00016 C10H11N3O3S 5.7 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00017 C16H25NO2 5.7 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00018 C6H5N3 5.8 C1=CC2=NNN=C2C=C1 InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) QRUDEWIWKLJBPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0423_00019 C11H12N2O 5.9 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0423_00020 C18H31NO4 6.7 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0423_00021 C17H27NO2 6.9 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00022 C16H21NO2 7.2 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0423_00023 C7H7N3 7.2 CC1=CC=CC2=NNN=C12 InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10) CMGDVUCDZOBDNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0423_00024 C9H7N3S 7.3 CC1=C2C(=CC=C1)SC3=NN=CN23 InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3 DQJCHOQLCLEDLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) Triazolobenzothiazoles (CHEMONTID:0004201) NA (NA) NA (NA) +0423_00025 C17H21NO 7.4 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0423_00026 C14H10N4O2 7.9 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) USAWIVMZUYOXCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0423_00027 C15H12N2O2 8 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0423_00028 C32H39NO4 8.6 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) RWTNPBWLLIMQHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0423_00029 C10H12N2O3S 8.9 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0423_00030 C15H12N2O 9.3 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0423_00031 C12H23NO3 9.9 CCC(C)OC(=O)N1CCCCC1CCO InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3 QLHULAHOXSSASE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxylic acids (CHEMONTID:0002411) NA (NA) +0423_00032 C41H76N2O15 10 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 RXZBMPWDPOLZGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0423_00033 C12H17NO 10 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0423_00034 C15H21NO4 10 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00035 C25H28N6O 11 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0423_00036 C22H17N3O5 11 COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3 WFDXOXNFNRHQEC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0423_00037 C18H15OP 11 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H FIQMHBFVRAXMOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0423_00038 C14H14O3 12 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0423_00039 C24H29N5O3 12 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00040 C12H18O4S2 13 CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3 UFHLMYOGRXOCSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0423_00041 C16H14N2O2S 13 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3 XIGAUIHYSDTJHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0423_00042 C13H21O3PS 14 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3 FCOAHACKGGIURQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0423_00043 C15H15NO2 16 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0423_00044 C12H27O4P 16 CCCCOP(=O)(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) diff --git a/processed_data/0423/0423_rtdata_isomeric_success.tsv b/processed_data/0423/0423_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..69c1f001f --- /dev/null +++ b/processed_data/0423/0423_rtdata_isomeric_success.tsv @@ -0,0 +1,45 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0423_00001 C4H11N5 1.2 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0423_00002 C13H22N4O4S 1.2 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ SKHXRNHSZTXSLP-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0423_00003 C14H22N2O3 3.5 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0423_00004 C14H22N2O3 3.5 COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3 UHWVSEOVJBQKBE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylmethylamines (CHEMONTID:0000185) NA (NA) NA (NA) +0423_00005 C10H16N6S 3.6 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0423_00006 C9H9N3O2S2 4.2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00007 C11H11N3O2S 4.4 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) GECHUMIMRBOMGK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00008 C17H27N3O4S 4.6 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0423_00009 C18H34N2O6S 4.7 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00010 C14H18N4O3 4.7 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00011 C9H9N3O2 4.7 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0423_00012 C14H21NO4 4.7 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0423_00013 C14H22N2O 5.2 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) NNJVILVZKWQKPM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Xylenes (CHEMONTID:0004208) m-Xylenes (CHEMONTID:0004209) NA (NA) +0423_00014 C12H14N4O2S 5.2 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00015 C13H22N4O3S 5.6 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0423_00016 C10H11N3O3S 5.7 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0423_00017 C16H25NO2 5.7 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00018 C6H5N3 5.8 C1=CC2=NNN=C2C=C1 InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) QRUDEWIWKLJBPS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0423_00019 C11H12N2O 5.9 CC1=CC(=O)N(N1C)C2=CC=CC=C2 InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 VEQOALNAAJBPNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0423_00020 C18H31NO4 6.7 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 VHYCDWMUTMEGQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0423_00021 C17H27NO2 6.9 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0423_00022 C16H21NO2 7.2 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0423_00023 C7H7N3 7.2 CC1=CC=CC2=NNN=C12 InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10) CMGDVUCDZOBDNL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0423_00024 C9H7N3S 7.3 CC1=C2C(=CC=C1)SC3=NN=CN23 InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3 DQJCHOQLCLEDLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) Triazolobenzothiazoles (CHEMONTID:0004201) NA (NA) NA (NA) +0423_00025 C17H21NO 7.4 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0423_00026 C14H10N4O2 7.9 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18) USAWIVMZUYOXCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0423_00027 C15H12N2O2 8 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0423_00028 C32H39NO4 8.6 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) RWTNPBWLLIMQHL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0423_00029 C10H12N2O3S 8.9 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0423_00030 C15H12N2O 9.3 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0423_00031 C12H23NO3 9.9 CCC(C)OC(=O)N1CCCCC1CCO InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3 QLHULAHOXSSASE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxylic acids (CHEMONTID:0002411) NA (NA) +0423_00032 C41H76N2O15 10 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HEWSMUCTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0423_00033 C12H17NO 10 CCN(CC)C(=O)C1=CC=CC(=C1)C InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 MMOXZBCLCQITDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Toluamides (CHEMONTID:0004219) m-Toluamides (CHEMONTID:0004220) +0423_00034 C15H21NO4 10 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3 ZQEIXNIJLIKNTD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00035 C25H28N6O 11 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0423_00036 C22H17N3O5 11 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ WFDXOXNFNRHQEC-GHRIWEEISA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenyl-beta-methoxyacrylates (CHEMONTID:0004203) NA (NA) NA (NA) +0423_00037 C18H15OP 11 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H FIQMHBFVRAXMOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylphosphines and derivatives (CHEMONTID:0001814) NA (NA) NA (NA) +0423_00038 C14H14O3 12 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0423_00039 C24H29N5O3 12 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0423_00040 C12H18O4S2 13 CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3 UFHLMYOGRXOCSL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0423_00041 C16H14N2O2S 13 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3 XIGAUIHYSDTJHW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0423_00042 C13H21O3PS 14 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3 FCOAHACKGGIURQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0423_00043 C15H15NO2 16 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0423_00044 C12H27O4P 16 CCCCOP(=O)(OCCCC)OCCCC InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3 STCOOQWBFONSKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic phosphoric acids and derivatives (CHEMONTID:0000402) Phosphate esters (CHEMONTID:0000408) Alkyl phosphates (CHEMONTID:0003457) Trialkyl phosphates (CHEMONTID:0003460) diff --git a/processed_data/0423/0423_validation_qspr_outliers.tsv b/processed_data/0423/0423_validation_qspr_outliers.tsv new file mode 100644 index 000000000..0873aa0c6 --- /dev/null +++ b/processed_data/0423/0423_validation_qspr_outliers.tsv @@ -0,0 +1,3 @@ +id error +0423_00043 7.222592257623262 +0423_00044 5.8670864136300835 diff --git a/processed_data/0424/0424_descriptors_canonical_success.tsv b/processed_data/0424/0424_descriptors_canonical_success.tsv new file mode 100644 index 000000000..6f8548f90 --- /dev/null +++ b/processed_data/0424/0424_descriptors_canonical_success.tsv @@ -0,0 +1,68 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0424_00001 11.99365630338033 14.010183230656056 -0.3038925510382095 0.19793591300858004 5.370206561976005 7.91950918220899 0.5 -0.5390000000000001 129.16380791441568 0 2 1.3499999999999999 7 6 8 6 20 0 0 -0.7411000000000005 0.5492292100000008 35.2928 0 0 0 0 0 0 0 0 0 0 0 0 0.7086675109499069 36 96 8 16.32752740504802 1.8141697116720021 12.922711304437088 0 12.922711304437088 4 91.49 0.6666666666666666 0.4 0.4999999999999999 0 1.4142135623730951 0 0 0 0 0.4999999999999999 0 0 0 0 0 0.944940787421155 1.5000000000000004 0.944940787421155 0 0.4999999999999999 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 3.92 4.5 0.5 289.05 0 63 7.439157588755425 4.036581260209188 3.8508499305618726 1.9812607321322002 1.0157355747428491 0.5443310539518174 0 0 5.549127729379168 2.392597853439479 1.754702944038712 0.6586079420610542 0.22228474935575282 0.11547005383792514 0 0 1.412225138403351 1.052198841323242 1.3608276348795432 0.374071198499986 0.16416807993864618 0.18213672050459181 0.9772838841927123 0 0.23570226039551587 0 0.34814239699997196 0 0.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 373.74900637500014 372.3340880000002 419.6075815625 320.84875450000004 220.25963975000005 10.799901506382405 9.329455465443562 12.159881807658882 9.329455465443562 7.439921205105923 0.22561827333929724 -0.23219215572390892 0.22060451743696727 -0.1626640905138798 0.0865524944884309 3 5 14.005277000000001 19.874723 +0424_00002 11.85 15.994918158003799 -0.28041238292254594 0.2031128418852578 4.633222140644235 9.805570182766685 0.4 -0.4650000000000001 176.21545935543085 0 1 2.23 6 8 14 0 25 0 0 -0.042100000000001164 0.001772410000000098 52.04970000000001 0 2 1 2 1 0 0 1 1 0 0 0 0.18552489761701765 66 238 17 26.23217650746468 2.017859731343437 8.749302485122083 2.5079271091907938 6.241375375931288 4.807354922057604 32.67 0.75 0.42857142857142855 0 1.4867477590984401 1.3103706971044482 0 5.688218364190332 7.816338163262254 0 1.6509636244473134 0 0 0 0 0 0 0 0 0 0.25 0 0 0 0 0 0 0 1 0 2 0 0 4 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9.551020408163266 4.022160664819944 1.92 0.4 520.03 0.8461538461538461 150 9.259148545064338 6.287693700234705 5.475695616655079 4.783585247502916 3.630433333860207 2.548581450323277 1.3953303993580164 0.8745565823703956 7.603640389785005 4.444034959231595 3.3454751843995485 2.5617311779403176 1.7673626721202973 0.9547781617602493 0.4539385686997051 0.23340908032686983 2.067282172039849 3.0105297143714975 3.55141028114857 0.9638424554958168 1.2956703685149267 1.186025592369658 0.7309017802800121 0 0.2826915653637701 0 0.3811613050928362 0 0.11334037705626956 0 0 0 0.09622504486493763 0.35006771790139657 0.34482914120676633 0 0 0.06454972243679027 0.14802209723991958 0.12341551435922754 0 0 3 2 1 0 3 0 0 742.0349149194949 854.8547551151128 1155.1582811568605 956.6153533199467 652.8093424169925 14.494429638093907 15.163001643034793 20.716463240101408 18.661003664119477 13.024436144769936 0.2754196559589891 -0.16680205098247644 0.08294801093112004 -0.07934892273804843 0.08517084989450553 0 3 17.376483999999998 28.603516000000003 +0424_00003 11.996206672001403 15.998707685040198 -0.4106459146935773 0.11628594315282481 4.5065848121486045 9.46235612930798 0.5384615384615384 0.4690000000000003 239.31124047832975 0 5 2.4499999999999997 7 10 17 1 38 0 0 0.11449999999999905 0.013110249999999782 70.87310000000001 0 1 1 1 1 0 0 0 1 0 0 0 0.3040742134898956 82 560 22 32.85754173677597 1.9327965727515277 10.418470433902893 7.5346824204670515 2.883788013435839 5.08746284125034 72.72 0.8 0.4444444444444444 1.5000000000000004 2.628868741993201 2.0743247078516465 3 3.61939931847957 10.325124803665261 1.0827448965556543 2.94168275343288 0.8442136252749053 0 0.5723571212766659 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 2 0 0 3 1 0 0 0 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.058823529411764 6.25 5.0176 0.5384615384615384 1172.04 0.35294117647058826 238 13.052041763877792 7.83151711960892 7.7953632055807525 5.081830611933931 3.4339447874645774 2.806424438044721 1.7186175168389197 0.8706865014622237 10.565255425631475 5.690097531471788 5.192962218980246 2.4844107658247783 1.4600583700848737 0.9993771672731762 0.5221123507596878 0.2441642509299329 2.7960034803231486 3.271346950707791 4.180438970550298 1.217548335743962 1.2029564476654278 1.2103526461209826 2.3653980259041862 0.35355339059327373 0.23570226039551587 0 1.6041239328352215 0.25 0.056781344807245726 0 0 0 0 0.06804138174397717 0.1554376142423653 0 0 0 0.024056261216234408 0.04165752139768156 0 0 0 4 2 5 1 1 0 964.8241380234606 1071.4761307798615 1407.2686552091525 1259.9468635264438 1005.8652565924264 19.683387407899318 18.32863979775858 26.325187618384597 25.044287370175006 21.09938476469722 0.29820492526985576 -0.10739313634001987 -0.06479469398054122 0.01683943857600487 0.08893490774956309 4 4 23.617347000000002 40.38865299999999 +0424_00004 11.996195888730876 15.998709540797881 -0.4131678160192601 0.2014845189226484 4.219544587818077 8.704683155740213 0.5 -0.46500000000000014 266.3366203359795 0 8 2.45 7 14 19 1 41 0 0 -0.2795999999999989 0.07817615999999938 77.82300000000001 0 1 1 1 1 0 0 0 1 0 0 0 0.3177751468772528 86 890 21 37.086864045027404 1.9519402128961791 13.237876290650325 7.967349985010059 5.270526305640262 5.247927513443585 84.58 0.8571428571428571 0.46153846153846156 0.4999999999999999 1.9891987952172288 1.971206599678401 0 6.857230682034217 11.39478627507535 0 2.048145734495446 0 0 0.09999999999999998 0.43643578047198467 0 0 0.09090909090909091 0 0 0 0 0 0 0 0 0 0 2 0 3 0 0 4 2 0 0 1 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17.05263157894737 9.03125 8 0.5 1339.05 0.3157894736842105 374 14.25071237662706 8.96923425058676 8.170019560480142 5.0755948019534625 3.704936992588976 3.0788918050700174 1.6493932985230706 1.1522652263201552 11.42648240431471 6.385697080128182 4.814816657955224 2.505817681830794 1.5277985474625224 1.0474857536345927 0.45089564911911206 0.25097848662997646 1.7721646521389824 2.1073237118856345 2.721733099399095 0.6847334331560021 0.6346770095473713 0.6835432535020449 1.5134200059864023 0 0 0 0.6870004247434619 0 0 0 0 0 0 0.08333333333333333 0.11785113019775793 0 0 0 0.027777777777777776 0.030982085323622514 0 0 1 5 1 4 3 0 0 963.7101750561851 1035.472366177341 1254.6756817506339 1122.3123610325406 955.58188874179 22.043367709175797 20.826913708071594 27.21074119258378 23.98866240749871 21.546285349090326 0.4613331182122587 -0.16606016045096503 -0.17553325106164908 0.09452494738039649 0.10386178492160512 3 5 26.924553999999997 43.91544599999999 +0424_00005 11.953004382206906 31.972071837014404 -0.3998887670339712 0.36886765146096906 3.9086271407945627 9.979316255421615 0.5 1.0249999999999995 252.34071526434658 0 7 1.79 6 12 17 3 33 0 0 -0.44950000000000023 0.2020502500000002 72.63959999999999 0 1 1 1 1 0 0 1 0 0 0 0 0.43591094557916393 74 664 18 33.3144923288677 1.9596760193451588 20.061197082267313 0 17.041676307751413 5.08746284125034 109.9 0.8333333333333334 0.45454545454545453 0.09999999999999998 1.9144534938893847 1.6509636244473136 0 2.5831392619736713 4.514741907570281 0 0.8630543739971821 0 0 0 0 0 0 0.9764757707782162 0 2.2171576442906757 0 0 0 0 0 0 0 0 2 0 3 0 0 1 0 0 1 1 2 0 0 0 0 0 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15.058823529411764 9 5.928166351606805 0.5555555555555556 817.07 0.29411764705882354 301 12.510225400620904 8.274386907679233 6.369226469174019 5.000679844822932 3.6282403347509433 2.0795159180144105 1.1573569043840914 0.7409691639577684 10.765056270640732 6.354065601847295 4.367781697180005 3.0802088940534387 2.050346182064971 1.2358034922611982 0.760645948533492 0.430951696695151 1.5130193370866851 1.9620947585084563 1.454093771987806 0.6008933930131268 0.7675159617572033 0.6227841499435314 0.6064930722941141 0 0.11785113019775793 0 0.25995864094170423 0 0.03952847075210474 0 0 0 0.11785113019775793 0.20118446353109126 0.1422588984322123 0 0 0.03227486121839514 0.05509663444777706 0.05077262294812929 0 0 0 2 0 4 0 0 0 996.6903416739134 1058.335801876529 1242.8101114711333 1070.1075190990612 880.6649048358058 25.287634846108887 22.167571674090873 25.970381581390594 25.392333145221293 23.507499219955836 0.42630555398929315 -0.3067444926280454 0.1548373914878902 -0.1263008640873315 0.09546319558035288 3 6 25.051311999999996 37.768688000000004 +0424_00006 11.99337058949447 31.972072062965513 -0.3397560184813284 0.11949928473519866 3.5831078647547954 9.802023853308174 0.5384615384615384 1.282 314.4053758463015 0 10 2.01 7 15 21 1 43 0 0 0.14929999999999932 0.0222904899999998 88.63409999999999 0 1 1 1 1 0 0 1 0 0 0 0 0.33414903670590956 94 1227 22 41.013377182911896 1.9530179610910428 22.645705014473258 7.861877449020025 11.752646644750545 5.392317422778761 104.97 1 0.5 0.43067436424814404 3.534260903250207 1.6465164701101374 0 5.601275682958293 6.944992838659704 0 0.6551853485522243 0 0 0.4999999999999999 0.19999999999999996 0 0 0 0 0.4999999999999999 0.73213398236815 0.08333333333333334 0 0 0 0 0 0 3 0 4 0 1 2 0 0 0 1 2 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2210.887329330206 2608.4149851861957 3730.5070793013965 3953.3394419483025 3611.9977330226297 33.87234517770473 34.32464383992795 51.86985784240753 55.31347163412102 51.866133773805224 0.6189473672838378 -0.3088225192880099 0.09971462152517095 -0.18981248106390403 0.09959180093890864 1 5 47.289865999999996 73.34813399999999 diff --git a/processed_data/0424/0424_descriptors_isomeric_success.tsv b/processed_data/0424/0424_descriptors_isomeric_success.tsv new file mode 100644 index 000000000..6f8548f90 --- /dev/null +++ b/processed_data/0424/0424_descriptors_isomeric_success.tsv @@ -0,0 +1,68 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0424_00001 11.99365630338033 14.010183230656056 -0.3038925510382095 0.19793591300858004 5.370206561976005 7.91950918220899 0.5 -0.5390000000000001 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1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0424_00031 4,96,134,153,181,206,207,257,292,313,326,347,376,390,408,474,487,519,549,550,576,626,705,709,738,739,763,778,779,800,813,831,845,948,968 +0424_00032 15,20,33,40,51,55,57,77,79,89,94,109,114,129,134,137,139,153,159,161,174,186,194,238,245,259,268,283,347,390,400,405,422,456,463,481,492,507,508,516,517,524,535,544,549,569,581,600,615,626,637,677,701,711,725,727,762,767,773,783,799,834,848,881,883,886,887,935,948,949,951,964,968,970,981,989,996,997,1003 +0424_00033 20,84,89,96,134,234,254,268,317,341,481,487,508,524,542,550,575,604,612,626,666,677,727,733,815,833,897,906,908,936,951,968,972,1006 +0424_00034 15,26,35,60,89,100,134,159,176,209,222,238,244,245,249,285,302,335,359,361,401,417,420,443,450,453,461,492,499,508,513,516,555,562,567,568,569,605,609,618,626,632,655,659,690,694,726,762,769,772,803,818,824,851,855,876,878,893,936,948,956,964,968,988,991,1000,1001,1012,1020 +0424_00035 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0424_00036 1,15,20,32,33,84,89,96,134,140,234,254,268,282,309,341,404,429,467,481,486,487,498,508,524,540,550,612,626,647,666,726,727,782,815,833,842,845,906,908,936,962,968,972,1006,1009,1019 +0424_00037 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0424_00038 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 +0424_00039 15,26,35,47,71,89,134,143,144,153,170,171,189,196,206,233,239,244,245,256,260,265,282,286,320,341,347,350,352,353,425,435,461,467,488,499,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,689,696,704,707,711,713,717,719,744,763,771,780,799,812,819,853,855,859,863,869,883,885,894,895,903,906,916,936,937,938,947,948,949,961,964,970,973,974,981,987,990,994,1015 +0424_00040 20,40,62,144,153,155,162,277,287,341,347,374,472,481,508,544,548,602,727,729,788,948,977,992,994,999 +0424_00041 3,9,15,24,26,31,35,47,55,56,71,80,89,114,120,123,128,134,144,153,155,156,167,186,197,201,207,215,220,225,241,244,245,254,260,262,265,278,309,315,320,325,331,333,339,341,346,347,348,350,358,361,385,421,424,435,447,452,461,467,499,504,506,508,512,514,531,534,540,547,549,555,556,578,591,607,608,626,631,649,651,656,658,661,670,678,688,696,700,719,724,727,728,746,753,767,768,780,791,794,797,818,819,821,836,849,850,855,866,869,883,890,894,896,911,931,936,948,949,951,957,964,968,974,994,1015 +0424_00042 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0424_00043 2,9,15,26,32,35,48,55,60,89,91,100,105,134,146,159,176,209,215,222,238,245,249,250,260,265,285,288,298,302,325,327,335,340,341,347,359,361,371,381,389,420,443,450,453,461,467,492,499,508,513,516,555,562,567,568,569,606,609,618,626,632,694,712,719,726,769,772,790,803,812,822,824,836,845,851,855,857,869,876,878,880,893,934,936,948,956,964,968,974,978,985,988,991,1000,1001,1012,1020 +0424_00044 20,26,37,67,73,80,89,96,97,129,134,144,153,196,199,245,254,260,300,301,339,343,347,348,375,381,410,439,456,460,487,504,505,508,516,524,525,543,549,550,551,574,612,641,655,658,666,670,677,727,733,762,773,778,787,812,844,846,847,886,941,948,955,968,972,980,982,985,1006 +0424_00045 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0424_00046 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0424_00047 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0424_00048 10,15,26,35,47,71,89,134,143,144,153,167,171,189,196,244,245,256,260,265,282,286,320,340,341,347,352,353,425,435,453,461,467,488,496,499,501,508,523,524,526,534,538,545,549,580,594,603,618,621,626,651,656,658,670,672,689,696,704,707,711,713,717,719,744,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,903,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,1015 +0424_00049 10,15,26,35,47,52,71,89,105,130,134,143,144,153,168,170,171,185,189,196,201,206,233,239,244,245,251,256,259,260,265,280,282,286,288,298,313,341,342,347,350,352,382,415,425,430,435,437,461,466,467,488,499,508,523,524,526,530,533,534,538,545,549,580,584,594,618,626,639,651,656,658,670,679,689,696,704,711,713,717,719,744,763,771,776,780,799,812,819,821,852,853,855,863,867,869,883,885,894,895,903,906,916,925,936,937,938,947,948,961,964,970,974,981,987,990,994,1015 +0424_00050 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0424_00051 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0424_00052 20,26,38,57,62,77,81,84,89,94,96,128,134,145,153,233,245,270,295,327,338,366,406,421,422,487,492,499,508,516,522,524,550,575,581,588,589,626,642,648,677,702,727,767,773,807,817,843,853,876,887,901,948,968,1007,1014 +0424_00053 1,15,20,96,103,134,183,254,268,309,310,341,404,440,481,487,491,498,507,508,524,550,612,727,833,845,906,968,972,1006,1022 +0424_00054 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0424_00055 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0424_00056 20,26,51,77,84,89,94,95,96,109,128,134,142,145,153,182,233,245,260,295,327,338,347,366,406,421,422,487,492,499,500,508,516,524,550,556,575,581,589,626,638,642,648,677,727,765,767,773,800,817,843,853,876,934,948,951,968,1007,1014 +0424_00057 10,12,15,20,24,30,31,35,55,62,70,73,75,76,89,93,94,96,129,134,139,144,145,151,152,153,175,180,196,200,205,207,214,218,220,226,235,237,242,244,245,250,260,264,270,274,283,313,314,316,317,318,320,328,329,332,340,353,356,364,367,371,374,380,381,386,388,391,398,399,405,421,422,430,438,439,441,446,452,453,454,458,459,461,471,476,483,487,492,496,508,510,516,518,524,528,531,534,536,539,540,547,550,555,568,579,580,585,588,592,593,596,597,603,605,609,615,620,626,630,639,640,646,651,654,656,660,662,663,677,679,686,700,707,710,717,721,723,725,727,741,742,745,761,766,767,768,769,772,777,784,792,798,802,836,850,851,852,857,870,881,884,898,906,907,910,917,934,936,941,946,948,950,957,968,970,973,978,979,982,983,987,991,994,1000,1006,1007,1008,1016,1022,1023 +0424_00058 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0424_00059 20,26,72,77,84,89,94,96,128,134,145,148,153,156,203,220,222,233,245,249,255,289,295,327,329,335,338,354,374,405,406,412,418,421,422,461,487,492,499,508,509,516,524,535,550,575,581,589,601,626,648,677,710,727,767,768,770,773,774,789,817,843,853,864,876,948,968,980,987,1007,1021 +0424_00060 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0424_00061 9,20,33,53,66,96,101,134,138,151,196,220,243,269,270,272,300,304,345,347,355,405,417,450,451,453,487,508,545,549,550,613,647,654,657,683,708,714,727,819,840,940,946,948,968,989,1003 +0424_00062 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0424_00063 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0424_00064 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0424_00065 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0424_00066 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0424_00067 3,13,15,18,20,24,32,53,58,75,83,89,90,120,134,144,153,176,180,215,216,223,226,245,246,252,260,270,287,297,298,305,317,318,324,347,376,452,453,461,464,508,511,534,540,585,603,626,637,711,727,762,767,797,814,818,843,857,869,883,899,923,936,948,956,957,964,968,977,979,990,994,1008 diff --git a/processed_data/0424/0424_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0424/0424_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..8a709115d --- /dev/null +++ b/processed_data/0424/0424_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0424_00001 20,144,259,290,341,388,418,481,541,599,670,675,713,756,840,934,948 +0424_00002 15,73,81,89,116,134,183,245,272,298,332,380,381,385,393,405,419,464,487,508,524,543,550,585,618,651,667,683,686,688,706,725,772,898,905,948,968,1022 +0424_00003 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0424_00004 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0424_00005 12,20,53,69,134,153,166,220,223,249,259,265,270,279,317,360,363,384,405,420,422,423,475,479,486,516,555,565,575,593,623,636,661,662,710,746,787,800,813,821,835,869,909,912,915,937,948,968 +0424_00006 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0424_00007 134,146,162,172,201,236,407,479,481,508,532,550,558,617,716,862,874,883,887,893,968 +0424_00008 41,88,100,132,134,146,236,240,245,262,319,376,405,422,506,508,524,576,585,603,630,638,662,679,686,715,723,763,778,806,808,948,968,969,982 +0424_00009 20,134,136,278,317,451,464,508,516,530,550,620,626,640,659,676,681,727,733,762,777,785,947,948,960,968 +0424_00010 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0424_00011 1,4,11,15,26,41,42,50,54,89,109,134,159,173,175,182,201,222,253,276,285,286,318,331,347,353,374,378,419,437,444,446,461,473,478,496,512,524,534,537,540,549,550,557,561,626,631,666,686,705,709,713,717,739,764,778,838,891,893,905,936,948,968,989,994,1014,1016 +0424_00012 1,15,20,41,62,89,111,115,153,160,168,206,207,218,221,284,299,303,324,345,347,379,390,416,455,461,477,485,498,500,508,516,524,554,562,569,603,606,626,645,662,666,686,687,699,710,719,727,739,776,797,802,810,843,850,866,887,915,936,948,959,964,974,994,1008,1015 +0424_00013 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0424_00014 1,4,11,15,26,42,89,134,140,175,182,191,201,222,245,260,267,269,286,302,347,353,373,394,398,423,452,461,485,496,508,512,524,534,540,549,550,555,565,595,626,666,681,686,705,709,724,727,768,778,806,830,838,843,853,855,898,906,940,943,948,951,954,968,989,1016,1022 +0424_00015 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0424_00016 1,67,134,177,205,245,262,266,311,316,319,377,404,405,422,461,508,524,576,585,603,686,738,803,808,916,944,948,968,969,982,995 +0424_00017 33,56,133,134,146,149,162,172,201,236,321,322,405,461,481,487,508,516,531,532,550,580,585,598,605,617,716,717,770,797,809,862,887,907,968,987 +0424_00018 1,4,6,11,15,26,42,85,89,113,134,135,175,182,201,222,245,276,285,286,302,318,347,353,406,409,461,478,480,496,505,508,512,524,534,540,549,550,561,580,601,603,621,630,666,686,705,706,709,713,724,744,772,778,783,806,838,853,886,936,948,968,989,994,1014,1016,1022 +0424_00019 4,44,104,134,153,161,164,234,254,270,328,347,368,393,405,415,437,481,503,515,541,549,551,580,613,652,675,678,705,706,713,719,733,744,778,803,819,887,944,948,961,968,987,1000 +0424_00020 15,20,24,26,59,84,89,94,96,108,116,117,128,134,141,145,167,192,207,245,311,351,364,371,396,421,481,487,492,499,508,516,524,544,547,550,593,601,603,614,618,624,626,636,647,677,679,727,766,773,792,833,851,864,904,917,948,968,1007 +0424_00021 133,134,146,149,162,172,178,201,233,236,269,351,400,402,405,417,461,481,508,516,518,532,550,578,586,615,617,716,717,770,773,808,809,862,887,968 +0424_00022 15,26,89,109,130,134,144,147,153,209,222,237,260,288,332,347,355,361,421,472,473,487,505,515,540,542,549,550,554,556,588,626,670,687,709,733,747,761,772,778,781,802,808,847,855,856,889,905,948,967,968,1010 +0424_00023 15,26,105,134,144,153,162,176,207,218,222,237,259,270,309,350,417,519,550,620,626,640,647,670,676,682,687,724,731,733,757,783,788,847,855,905,925,926,929,947,948,968 +0424_00024 133,134,146,149,162,172,201,220,236,260,294,405,429,445,461,481,508,516,531,532,550,580,585,598,613,617,643,716,717,770,771,797,809,862,887,904,907,916,936,948,968,983,1012 +0424_00025 45,51,52,53,101,134,153,178,181,206,207,227,235,260,265,270,278,280,281,292,347,360,365,390,392,430,516,535,549,550,612,626,649,667,728,779,786,790,800,802,812,820,943,948,968,1019 +0424_00026 1,11,14,15,26,29,40,52,79,89,96,104,134,136,167,168,175,222,237,271,337,373,419,442,473,477,481,495,496,515,524,540,550,561,626,631,640,666,676,686,687,712,746,749,772,792,801,805,816,818,850,912,947,948,960,968,1016 +0424_00027 15,24,26,40,50,77,89,92,103,109,111,113,118,134,144,153,155,165,173,174,180,199,200,211,223,225,237,244,245,249,260,263,282,303,327,347,355,362,367,373,380,391,393,404,406,408,422,424,425,433,461,467,468,473,488,493,499,508,524,534,545,548,549,554,557,579,590,597,606,612,626,666,670,686,696,704,719,723,726,734,780,819,832,851,854,855,869,888,906,919,936,948,962,963,964,974,983,984,985,994,1012 +0424_00028 9,20,133,134,146,149,162,172,184,201,220,236,260,405,418,461,481,508,515,516,531,532,550,598,613,617,716,717,722,770,809,844,862,887,907,910,916,948,968,988 +0424_00029 15,26,41,96,134,138,145,153,226,245,273,275,353,419,420,421,487,508,509,534,540,550,559,647,662,730,731,813,833,884,889,948,954,968,994 +0424_00030 1,85,133,134,146,149,162,172,201,207,220,233,236,269,351,402,405,425,461,481,493,508,516,532,550,617,686,711,716,717,731,758,770,773,809,862,887,948,968 +0424_00031 4,96,134,153,181,206,207,257,292,313,326,347,376,390,408,474,487,519,549,550,576,626,705,709,738,739,763,778,779,800,813,831,845,948,968 +0424_00032 15,20,24,33,40,51,55,79,89,94,112,129,134,153,161,174,186,189,194,245,252,259,268,283,347,357,390,400,405,451,456,463,481,492,507,508,513,516,517,524,544,549,569,600,603,615,626,637,639,677,701,713,725,727,752,762,767,773,783,799,806,833,834,882,883,886,887,916,935,948,951,964,968,970,986,989,996,997,1003 +0424_00033 20,84,89,96,134,234,242,254,268,341,351,446,481,487,508,524,550,612,626,666,695,701,727,775,815,833,906,908,936,951,968,972,999,1006 +0424_00034 15,26,56,60,85,89,102,134,156,172,177,209,222,245,252,262,272,285,296,302,320,340,401,413,420,424,447,461,495,499,504,508,513,517,560,561,567,568,569,580,609,610,626,690,761,772,818,841,846,851,855,859,861,879,893,919,926,927,936,948,954,964,968,978,987,990,1012 +0424_00035 15,26,105,134,144,153,162,176,207,218,222,237,250,259,260,309,347,350,417,505,519,549,550,626,647,666,670,682,687,724,731,757,778,783,788,812,847,855,905,925,929,948,968,980 +0424_00036 1,15,20,32,33,84,89,96,134,140,234,254,268,282,309,341,404,429,467,481,486,487,498,508,524,540,550,612,626,647,666,726,727,782,815,833,842,845,906,908,936,962,968,972,1006,1009,1019 +0424_00037 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0424_00038 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 +0424_00039 15,24,26,50,89,92,103,109,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,249,260,290,303,327,347,367,380,391,393,398,404,406,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,869,906,919,930,936,948,958,962,963,964,974,983,984,985,987,994,1021 +0424_00040 20,40,62,144,153,155,162,277,287,341,347,374,472,481,508,544,548,602,727,729,788,948,977,992,994,999 +0424_00041 3,15,24,25,26,32,34,39,78,83,87,89,105,128,134,136,144,153,157,167,173,174,184,185,192,200,220,244,245,254,260,278,302,309,315,320,325,335,336,347,355,382,385,388,391,396,442,443,448,449,452,461,463,467,468,471,493,499,501,508,518,534,540,549,553,555,557,566,576,590,591,626,649,670,677,689,696,700,703,704,709,711,718,719,761,762,767,768,780,797,806,819,825,850,855,858,866,869,870,873,875,878,881,890,891,910,911,930,933,936,948,952,953,955,960,962,964,966,968,974,986,994,1007,1021 +0424_00042 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0424_00043 15,26,40,41,56,60,85,89,94,116,134,140,146,161,164,172,174,177,209,222,234,245,260,262,272,285,296,298,302,320,347,381,382,392,413,420,424,432,447,454,461,467,471,485,490,495,499,504,508,512,513,517,529,561,567,568,569,580,606,609,610,626,706,707,719,741,748,761,772,841,851,855,859,861,878,879,893,910,919,926,927,936,948,954,962,964,968,974,978,987,990,994,998,1012 +0424_00044 18,20,26,37,67,69,73,80,89,96,97,110,129,134,144,153,173,188,190,196,245,254,260,296,339,343,347,381,393,406,410,439,487,505,508,516,524,525,549,550,612,641,655,658,666,670,677,680,723,727,762,773,778,792,812,825,844,846,847,886,948,955,967,968,972,980,982,985,1006 +0424_00045 12,133,134,146,149,162,167,172,188,201,220,236,260,281,337,354,405,461,481,508,513,516,532,550,617,675,716,717,770,809,830,862,887,900,948,968,969,980 +0424_00046 15,20,24,64,94,134,153,158,245,270,290,322,340,441,445,456,461,508,515,524,529,554,587,611,626,642,648,654,674,689,690,708,727,760,783,827,863,887,910,931,938,946,948,968,973,977,994,1006,1012 +0424_00047 1,15,20,35,44,75,96,97,125,134,159,245,254,263,268,272,309,317,341,345,354,366,404,463,481,487,498,508,524,536,550,612,654,690,714,727,742,826,828,833,845,906,968,972,1006 +0424_00048 15,17,19,24,26,82,89,92,103,118,134,144,153,155,165,173,174,180,200,211,223,225,237,244,245,251,260,290,303,327,347,380,391,393,404,406,411,422,425,433,444,461,467,468,473,474,488,493,499,508,534,545,548,549,554,557,579,590,597,612,620,625,626,670,696,704,707,719,723,726,734,780,819,837,839,851,854,855,856,869,906,919,930,936,948,958,962,963,964,974,983,984,985,994,1021 +0424_00049 15,24,26,50,52,89,92,103,105,109,118,130,134,144,153,155,165,168,173,174,180,200,211,223,225,237,244,245,249,259,260,272,280,288,298,303,313,327,331,332,347,366,367,380,382,391,393,398,404,406,422,425,430,433,444,461,466,467,468,473,488,493,499,508,533,534,545,548,549,554,557,569,572,579,584,590,597,612,626,639,670,679,696,704,719,723,726,734,776,780,795,819,837,851,852,854,855,867,869,898,906,919,925,936,948,962,963,964,974,983,984,985,987,994,1021 +0424_00050 25,101,117,124,133,134,146,149,162,172,201,230,236,242,254,257,347,351,405,448,461,470,476,481,508,515,516,532,549,550,610,613,617,666,671,686,716,717,733,770,778,809,862,887,916,948,968,992,1004 +0424_00051 20,96,134,144,145,150,153,154,207,214,216,238,275,294,339,421,445,487,508,550,570,635,670,674,678,723,727,784,802,823,839,840,910,911,938,948,968,994,998 +0424_00052 15,20,24,26,59,62,81,82,84,89,94,96,128,134,145,153,192,245,270,311,351,366,371,396,421,487,492,499,508,516,522,524,547,550,588,593,603,624,626,636,677,702,727,743,766,768,773,807,833,851,887,901,904,948,968,1002,1007 +0424_00053 1,15,20,96,103,134,183,254,268,309,310,341,404,440,481,487,491,498,507,508,524,550,612,727,833,845,906,968,972,1006,1022 +0424_00054 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0424_00055 20,83,96,134,205,223,254,268,274,281,334,341,452,465,481,487,508,524,550,554,566,570,612,625,727,833,865,906,968,972,1006 +0424_00056 15,20,24,26,43,51,59,82,84,89,94,95,96,109,128,134,145,153,182,192,245,260,311,347,351,366,371,380,396,421,487,492,499,500,508,516,524,547,550,556,575,593,603,624,626,636,638,677,727,765,766,773,800,833,851,904,934,948,951,968,1002,1007 +0424_00057 10,12,15,20,24,30,31,35,55,62,70,73,75,76,89,93,94,96,129,134,139,144,145,151,152,153,175,180,196,200,205,207,214,218,220,226,235,237,242,244,245,250,260,264,270,274,283,313,314,316,317,318,320,328,329,332,340,353,356,364,367,371,374,380,381,386,388,391,398,399,405,421,422,430,438,439,441,446,452,453,454,458,459,461,471,476,483,487,492,496,508,510,516,518,524,528,531,534,536,539,540,547,550,555,568,579,580,585,588,592,593,596,597,603,605,609,615,620,626,630,639,640,646,651,654,656,660,662,663,677,679,686,700,707,710,717,721,723,725,727,741,742,745,761,766,767,768,769,772,777,784,792,798,802,836,850,851,852,857,870,881,884,898,906,907,910,917,934,936,941,946,948,950,957,968,970,973,978,979,982,983,987,991,994,1000,1006,1007,1008,1016,1022,1023 +0424_00058 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0424_00059 15,20,24,26,59,84,89,94,96,103,128,134,145,156,192,203,220,222,245,249,255,289,311,335,351,354,371,374,396,405,412,418,421,461,464,487,492,499,508,509,516,524,535,547,550,593,601,603,624,626,636,677,701,710,727,766,768,773,774,789,826,833,851,864,904,948,968,980,987,1007,1021 +0424_00060 15,20,22,74,89,94,96,134,145,160,175,180,206,232,246,267,298,340,421,441,487,508,512,516,524,539,547,548,550,552,555,626,652,677,727,750,771,772,800,815,848,897,898,903,907,968,999,1011 +0424_00061 9,20,33,53,66,96,101,134,138,151,196,220,243,269,270,272,300,304,345,347,355,405,417,450,451,453,487,508,545,549,550,613,647,654,657,683,708,714,727,819,840,940,946,948,968,989,1003 +0424_00062 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0424_00063 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0424_00064 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0424_00065 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0424_00066 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0424_00067 3,6,11,13,15,20,24,32,58,75,83,89,93,107,115,134,144,153,205,216,226,236,238,245,252,256,260,270,275,287,318,345,347,377,383,390,433,452,461,468,508,515,533,534,540,547,578,583,603,626,660,710,727,736,762,767,773,776,789,791,797,814,818,845,861,883,936,938,948,956,961,964,968,974,977,988,994,996,1008 diff --git a/processed_data/0424/0424_fingerprints_maccs_canonical_success.tsv b/processed_data/0424/0424_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..9b365a936 --- /dev/null +++ b/processed_data/0424/0424_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0424_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0424_00002 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0424_00003 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00004 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00005 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0424_00006 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0424_00007 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0424_00008 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0424_00009 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0424_00010 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0424_00011 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0424_00012 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00013 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0424_00014 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0424_00015 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00016 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0424_00017 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0424_00018 57,66,72,75,83,85,86,93,96,98,100,101,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0424_00019 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0424_00020 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0424_00021 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0424_00022 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00023 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00024 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0424_00025 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00026 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,127,128,129,137,139,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0424_00027 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00028 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0424_00029 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0424_00030 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0424_00031 54,72,82,89,90,93,104,109,113,126,127,131,132,138,139,140,143,144,146,150,152,153,155,157,159,160,162,163,164,165 +0424_00032 8,11,24,36,45,47,50,65,71,76,77,78,79,80,81,83,84,85,88,89,91,92,93,94,95,96,97,98,99,101,102,105,106,109,110,116,117,119,120,121,122,123,124,126,127,131,133,135,136,137,138,139,140,142,143,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00033 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0424_00034 50,53,57,62,66,76,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0424_00035 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00036 19,37,75,77,84,85,97,104,105,106,110,117,121,122,125,127,131,132,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0424_00037 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00038 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0424_00039 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0424_00040 23,66,84,89,90,106,108,109,110,112,114,115,116,117,123,126,129,131,136,138,140,142,146,147,149,151,153,154,155,156,157,158,159,160,161,164 +0424_00041 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00042 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0424_00043 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0424_00044 19,36,59,62,72,74,75,79,81,85,86,88,92,93,95,100,105,110,111,113,115,116,117,120,121,122,123,125,126,127,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00045 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0424_00046 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00047 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0424_00048 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0424_00049 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00050 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0424_00051 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0424_00052 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00053 19,37,75,77,84,85,105,106,110,117,121,122,125,135,137,142,144,145,147,148,151,154,156,158,161,162,163,164,165 +0424_00054 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0424_00055 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0424_00056 8,11,19,36,47,66,72,74,79,81,83,85,88,92,95,96,97,104,105,109,110,111,112,113,117,120,121,122,123,126,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00057 26,45,50,53,54,57,62,65,74,75,76,79,82,83,85,89,90,91,92,93,95,96,97,98,99,100,104,105,108,110,111,113,114,116,117,118,120,121,122,123,125,127,128,129,131,132,133,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166 +0424_00058 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0424_00059 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0424_00060 65,83,85,90,91,95,96,97,100,101,105,111,121,122,123,136,137,139,144,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0424_00061 24,49,56,62,63,65,70,71,93,94,97,98,102,119,121,122,123,124,125,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0424_00062 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0424_00063 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0424_00064 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0424_00065 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0424_00066 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0424_00067 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0424/0424_fingerprints_maccs_isomeric_success.tsv b/processed_data/0424/0424_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..9b365a936 --- /dev/null +++ b/processed_data/0424/0424_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0424_00001 25,43,53,74,77,78,80,84,85,86,93,106,119,122,131,142,148,149,151,156,158,160,161 +0424_00002 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0424_00003 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00004 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00005 25,41,43,65,77,78,79,80,82,83,86,88,90,91,93,96,100,104,106,108,111,116,119,120,121,129,131,137,138,142,144,147,149,150,151,153,155,156,158,160,161,162,165 +0424_00006 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0424_00007 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,131,133,135,136,142,148,151,156,158,159,161,162,163,164,165 +0424_00008 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0424_00009 92,110,113,117,127,131,133,135,139,143,151,152,154,156,157,158,159,160,161,162,163,164,165 +0424_00010 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0424_00011 57,66,72,75,83,85,86,91,93,96,98,99,100,101,105,111,112,113,115,116,120,121,122,126,127,128,129,137,139,143,144,145,146,147,148,149,152,153,156,157,158,159,160,161,162,163,164,165 +0424_00012 53,54,57,64,72,75,79,81,83,85,86,88,89,90,91,92,93,95,96,97,98,100,108,110,111,114,115,116,117,120,121,122,127,129,131,137,139,140,141,142,143,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00013 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0424_00014 57,66,72,75,83,85,86,89,90,91,93,95,96,98,100,101,104,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,139,140,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0424_00015 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00016 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0424_00017 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,161,162,163,164,165 +0424_00018 57,66,72,75,83,85,86,93,96,98,100,101,105,108,111,112,113,115,116,118,120,121,122,126,127,128,129,132,137,143,144,145,146,147,148,149,152,153,154,156,157,158,159,160,161,162,163,164,165 +0424_00019 25,38,53,65,72,77,80,84,89,90,93,98,106,113,120,121,125,126,127,131,133,135,137,141,142,143,144,145,146,149,150,151,152,155,156,157,158,159,160,161,162,163,164,165 +0424_00020 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0424_00021 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,161,162,163,164,165 +0424_00022 62,66,74,85,86,90,91,93,97,100,104,108,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00023 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,127,128,129,131,132,139,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00024 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,151,156,158,159,160,161,162,163,164,165 +0424_00025 54,72,74,82,86,90,93,95,97,100,104,109,113,115,116,126,127,131,132,138,139,141,143,146,147,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00026 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,127,128,129,137,139,143,144,145,147,148,152,153,156,157,158,160,161,162,163,164,165 +0424_00027 54,57,66,72,74,75,85,86,89,90,91,93,95,97,98,100,104,108,111,112,114,115,116,120,121,122,123,126,127,131,132,133,137,139,140,141,142,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00028 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,94,97,98,102,106,112,117,120,121,124,125,130,131,133,135,136,137,142,145,148,149,151,156,158,159,160,161,162,163,164,165 +0424_00029 28,43,53,62,66,77,80,82,89,90,92,97,98,100,110,112,114,117,120,121,127,128,131,136,137,142,143,145,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0424_00030 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,94,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,148,151,156,158,159,160,161,162,163,164,165 +0424_00031 54,72,82,89,90,93,104,109,113,126,127,131,132,138,139,140,143,144,146,150,152,153,155,157,159,160,162,163,164,165 +0424_00032 8,11,24,36,45,47,50,65,71,76,77,78,79,80,81,83,84,85,88,89,91,92,93,94,95,96,97,98,99,101,102,105,106,109,110,116,117,119,120,121,122,123,124,126,127,131,133,135,136,137,138,139,140,142,143,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00033 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0424_00034 50,53,57,62,66,76,83,89,90,91,96,99,104,105,108,109,112,115,116,118,123,127,128,129,131,132,137,139,140,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0424_00035 66,74,85,86,90,91,93,97,100,104,112,113,115,118,122,126,127,128,129,132,139,141,143,145,147,148,149,152,153,155,157,158,159,160,161,162,163,164,165 +0424_00036 19,37,75,77,84,85,97,104,105,106,110,117,121,122,125,127,131,132,135,137,139,142,143,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0424_00037 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0424_00038 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0424_00039 54,57,66,72,74,85,86,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0424_00040 23,66,84,89,90,106,108,109,110,112,114,115,116,117,123,126,129,131,136,138,140,142,146,147,149,151,153,154,155,156,157,158,159,160,161,164 +0424_00041 50,54,57,66,72,74,76,85,86,89,90,93,95,97,98,99,104,108,109,112,114,115,116,120,122,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00042 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0424_00043 50,53,54,57,62,66,72,76,83,89,90,91,96,98,99,104,105,108,109,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,153,154,157,159,160,163,164,165 +0424_00044 19,36,59,62,72,74,75,79,81,85,86,88,92,93,95,100,105,110,111,113,115,116,117,120,121,122,123,125,126,127,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00045 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,84,88,94,95,96,97,102,106,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,152,156,158,159,160,161,162,163,164,165 +0424_00046 28,57,65,72,75,83,85,89,96,97,98,100,105,109,113,114,120,121,122,123,125,127,136,137,138,139,140,143,144,145,146,148,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00047 19,37,75,77,84,85,97,105,106,110,117,121,122,125,127,132,135,136,137,142,143,144,145,148,151,152,154,156,158,159,161,162,163,164,165 +0424_00048 54,57,66,72,74,85,86,89,90,91,93,95,97,98,108,111,112,114,115,116,120,122,123,126,127,131,132,133,136,137,139,140,141,143,145,146,148,149,150,152,154,155,156,157,158,159,160,161,163,164,165 +0424_00049 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0424_00050 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,84,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,142,143,145,146,148,149,151,156,157,158,159,160,161,162,163,164,165 +0424_00051 66,74,85,86,93,108,111,112,114,115,116,122,125,129,132,141,145,148,149,152,154,155,156,158,160,161,162,163,164,165 +0424_00052 8,11,19,36,47,66,74,79,81,83,85,88,92,95,96,97,104,105,110,111,112,117,120,121,122,123,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00053 19,37,75,77,84,85,105,106,110,117,121,122,125,135,137,142,144,145,147,148,151,154,156,158,161,162,163,164,165 +0424_00054 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0424_00055 19,37,75,77,84,85,99,105,106,110,117,121,122,125,135,137,142,144,145,148,151,154,156,158,161,162,163,164,165 +0424_00056 8,11,19,36,47,66,72,74,79,81,83,85,88,92,95,96,97,104,105,109,110,111,112,113,117,120,121,122,123,126,127,131,132,133,136,137,139,140,142,143,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0424_00057 26,45,50,53,54,57,62,65,74,75,76,79,82,83,85,89,90,91,92,93,95,96,97,98,99,100,104,105,108,110,111,113,114,116,117,118,120,121,122,123,125,127,128,129,131,132,133,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166 +0424_00058 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0424_00059 8,11,19,36,47,57,62,65,66,71,74,79,80,81,83,85,88,89,92,94,95,96,97,102,105,110,112,117,120,121,122,123,124,127,131,133,136,137,139,140,141,142,143,144,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0424_00060 65,83,85,90,91,95,96,97,100,101,105,111,121,122,123,136,137,139,144,146,147,148,152,153,154,156,157,158,159,161,162,163,164,165 +0424_00061 24,49,56,62,63,65,70,71,93,94,97,98,102,119,121,122,123,124,125,126,130,133,135,136,137,140,141,142,144,145,146,148,149,150,154,156,157,158,159,160,161,162,163,164,165 +0424_00062 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0424_00063 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0424_00064 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0424_00065 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0424_00066 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0424_00067 26,50,57,66,74,76,89,91,98,99,104,105,108,112,114,115,116,123,126,127,128,129,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 diff --git a/processed_data/0424/0424_fingerprints_pubchem_canonical_success.tsv b/processed_data/0424/0424_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..fac73f9d3 --- /dev/null +++ b/processed_data/0424/0424_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0424_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0424_00002 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0424_00003 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0424_00004 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0424_00005 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0424_00006 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0424_00007 10,11,15,16,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,377,378,384,385,394,415,417,435,438,442,447,450,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0424_00008 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0424_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0424_00010 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0424_00011 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0424_00012 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0424_00013 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0424_00014 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0424_00015 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0424_00016 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0424_00017 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00018 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0424_00019 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0424_00020 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0424_00021 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0424_00022 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0424_00023 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0424_00024 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00025 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0424_00026 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0424_00027 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0424_00028 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00029 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0424_00030 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0424_00031 10,11,12,19,20,21,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0424_00032 10,11,12,13,15,16,17,19,20,21,34,35,130,132,133,144,146,147,179,184,185,256,257,284,285,286,287,294,300,302,309,333,334,339,341,345,346,347,350,352,353,354,356,358,359,366,367,369,371,375,376,377,380,381,384,388,391,392,393,394,396,397,404,406,407,413,417,419,421,422,431,432,438,440,441,442,443,444,447,450,451,452,453,454,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,525,529,532,534,536,537,539,540,541,547,554,556,557,561,567,570,571,574,577,580,581,587,593,594,595,598,603,608,612,614,615,620,644,646,647,655,657,659,660,667,668,672,675 +0424_00033 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0424_00034 10,11,12,13,19,20,21,144,145,150,151,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,572,574,583,595,600,615,618,620,638,640,641,661,667,672,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0424_00035 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0424_00036 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0424_00037 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0424_00038 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0424_00039 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00040 10,11,12,15,16,19,20,21,284,285,286,287,300,333,334,335,345,347,353,367,375,381,394,406,421,452,453,560,583,613,638,640,681,709,710,712 +0424_00041 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0424_00042 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0424_00043 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0424_00044 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0424_00045 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0424_00046 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0424_00047 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0424_00048 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00049 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00050 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0424_00051 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0424_00052 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0424_00053 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,759,822 +0424_00054 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0424_00055 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0424_00056 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,381,382,383,385,391,392,393,394,406,407,413,417,421,435,440,441,442,444,447,452,453,463,471,477,490,491,499,508,517,521,525,529,536,537,538,541,542,543,549,553,557,565,566,567,570,571,574,575,579,580,581,583,585,587,590,595,596,600,603,604,605,606,607,609,612,614,615,616,618,619,620,621,627,633,635,638,641,642,644,646,647,652,656,657,659,660,661,665,667,669,678,679,680,681,690,709 +0424_00057 10,11,12,13,14,15,16,17,18,19,20,21,22,23,144,146,147,149,150,151,153,154,158,179,180,181,182,186,187,188,189,193,200,256,257,258,259,260,262,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,381,382,383,385,388,391,392,393,394,397,404,406,407,410,417,419,421,431,432,433,435,436,437,438,440,441,442,443,444,446,447,448,449,450,452,453,454,462,465,471,473,477,483,491,492,493,494,495,496,498,499,503,507,517,521,522,524,525,529,531,536,537,539,540,541,542,543,544,546,547,549,550,553,554,556,557,565,566,567,570,571,572,574,575,577,578,579,580,581,582,583,585,586,588,589,590,591,593,595,596,598,600,601,603,604,607,608,609,612,613,614,615,616,618,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,688,689,690,691,692,693,694,696,697,699,701,702,703,705,706,709,710,711 +0424_00058 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0424_00059 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0424_00060 10,11,12,15,19,20,144,146,147,149,150,151,179,180,256,257,258,284,285,286,287,309,333,334,336,341,342,345,346,352,353,356,357,358,359,366,371,372,377,381,385,388,391,392,397,398,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,693,696,697,698,699,705,708,709,710,711 +0424_00061 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,302,333,334,341,345,352,353,356,357,358,359,367,371,372,375,377,378,381,385,388,391,396,397,402,404,406,417,419,421,424,431,432,435,438,441,442,443,444,447,450,453,454,455,456,465,471,473,483,491,494,496,503,507,515,517,521,524,525,531,536,539,540,546,547,549,550,553,554,556,557,559,565,571,574,575,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,703,704,705,708,709,710,711,713,759,822 +0424_00062 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0424_00063 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0424_00064 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0424_00065 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0424_00066 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0424_00067 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0424/0424_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0424/0424_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..fac73f9d3 --- /dev/null +++ b/processed_data/0424/0424_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,68 @@ +id bits.on +0424_00001 10,11,15,16,17,284,286,300,366,375,376,391,392,394,419,451,454,488,489,520,541,561 +0424_00002 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0424_00003 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0424_00004 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0424_00005 10,11,12,15,16,17,34,144,146,147,256,257,284,285,286,294,300,333,341,345,346,350,352,354,356,358,359,366,369,374,375,376,377,380,388,390,391,393,394,397,400,401,404,413,417,419,420,432,438,442,443,448,450,451,454,473,483,485,486,488,489,492,496,500,505,507,508,520,522,524,525,528,529,539,540,541,546,548,561,570,573,586,587,597,612,614,637,644,655,658,659,675 +0424_00006 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0424_00007 10,11,15,16,19,20,34,179,180,256,284,285,286,294,300,306,333,341,345,352,354,356,371,372,377,378,384,385,394,415,417,435,438,442,447,450,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0424_00008 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0424_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,393,394,407,417,421,435,438,440,442,444,447,450,452,465,471,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,565,571,574,575,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,690,722,785 +0424_00010 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0424_00011 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,190,193,200,256,284,285,286,287,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,615,618,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,664,665,667,668,669,678,679,680,681,683,684,689,690,691,692,697,698,699,700,701,702,703,704,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0424_00012 10,11,12,13,15,16,19,20,21,34,144,146,147,179,182,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,366,367,369,375,391,392,393,394,406,407,413,421,440,444,452,508,529,536,537,541,567,568,570,572,580,583,587,593,603,612,614,615,616,618,638,639,640,644,646,647,657,660,663,664,680,681,682,683,684,685,689,690,691,692,693,696,697,699,702,703,704,705,709,710,711 +0424_00013 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0424_00014 10,11,12,13,15,19,20,21,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,338,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,657,660,661,663,665,667,669,678,679,680,681,682,683,684,685,687,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,804,819,820,822,825,827 +0424_00015 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0424_00016 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,333,341,352,353,356,358,359,360,366,374,375,376,377,378,379,380,382,385,387,388,389,390,391,392,397,398,404,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,492,494,495,496,500,505,507,520,522,524,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0424_00017 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00018 10,11,12,13,15,19,20,144,150,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,421,431,433,435,442,444,447,463,471,477,491,499,517,521,525,536,538,541,542,543,545,549,553,557,565,566,568,571,574,575,579,580,583,585,590,593,595,596,600,604,605,606,607,608,609,614,615,619,620,621,627,631,633,635,638,641,642,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,689,690,691,692,693,694,696,697,698,699,700,701,702,703,704,705,706,708,709,710,711,712,713,715,736,756,757,762,777,778,780,798,799,801,819,820,822,825 +0424_00019 10,11,12,15,16,17,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,379,380,382,383,385,388,390,391,394,397,404,406,417,419,431,435,436,439,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,520,521,522,524,525,531,539,541,542,543,545,546,549,550,553,556,557,561,565,566,568,571,573,574,575,576,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,619,620,622,627,629,631,635,637,638,640,641,642,652,654,655,656,658,661,663,665,666,667,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,762,778,799,804,825 +0424_00020 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0424_00021 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,306,333,341,345,346,350,352,354,356,359,366,369,371,372,373,374,376,377,378,380,384,385,388,391,394,397,404,413,415,417,419,422,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,655,661,665,666,669,675,678,679,680,684,726,789 +0424_00022 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,668,669,678,679,680,681,682,684,689,690,697,698,699,700,709,710,711,713,736,799,819,820 +0424_00023 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,639,641,642,652,656,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0424_00024 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,346,352,354,356,358,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,436,438,442,443,446,447,448,450,451,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00025 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,709,710,711,715,778 +0424_00026 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,309,333,334,335,336,339,341,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0424_00027 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,657,660,662,663,664,680,681,682,683,684,685,689,690,691,692,693,694,697,698,699,700,701,702,703,705,706,709,710,711 +0424_00028 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,294,300,306,333,341,345,352,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,394,397,404,415,417,419,432,435,438,442,443,447,450,451,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,726,789 +0424_00029 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,366,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,529,536,541,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,647,648,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0424_00030 10,11,12,15,16,17,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,301,306,333,341,345,352,354,356,359,371,372,375,376,377,378,380,384,385,394,413,415,417,419,422,423,435,438,442,443,447,450,451,458,460,465,466,468,471,481,484,487,490,491,503,508,512,516,517,518,521,525,532,533,540,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,636,641,644,645,661,665,666,669,678,679,680,684,726,789 +0424_00031 10,11,12,19,20,21,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,382,383,385,406,407,417,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,631,633,635,638,640,641,642,652,656,661,663,664,665,667,669,678,679,680,681,690,762,825 +0424_00032 10,11,12,13,15,16,17,19,20,21,34,35,130,132,133,144,146,147,179,184,185,256,257,284,285,286,287,294,300,302,309,333,334,339,341,345,346,347,350,352,353,354,356,358,359,366,367,369,371,375,376,377,380,381,384,388,391,392,393,394,396,397,404,406,407,413,417,419,421,422,431,432,438,440,441,442,443,444,447,450,451,452,453,454,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,525,529,532,534,536,537,539,540,541,547,554,556,557,561,567,570,571,574,577,580,581,587,593,594,595,598,603,608,612,614,615,620,644,646,647,655,657,659,660,667,668,672,675 +0424_00033 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0424_00034 10,11,12,13,19,20,21,144,145,150,151,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,572,574,583,595,600,615,618,620,638,640,641,661,667,672,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0424_00035 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0424_00036 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0424_00037 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0424_00038 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0424_00039 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00040 10,11,12,15,16,19,20,21,284,285,286,287,300,333,334,335,345,347,353,367,375,381,394,406,421,452,453,560,583,613,638,640,681,709,710,712 +0424_00041 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,193,196,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,417,421,431,433,435,437,441,442,444,447,449,453,491,517,525,536,541,554,557,564,565,567,568,572,580,582,583,593,600,611,614,615,616,618,638,639,640,641,642,643,660,661,662,663,664,665,672,673,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0424_00042 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +0424_00043 10,11,12,13,14,19,20,21,22,144,145,150,151,179,180,182,186,187,189,193,194,196,200,207,284,285,287,309,333,334,335,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,525,554,557,564,568,572,574,583,595,600,611,615,618,620,638,640,641,661,662,663,664,667,672,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,712,713,777,778,798,799,804,819,820,840,841,861,862 +0424_00044 10,11,12,13,15,16,19,20,21,34,179,180,186,187,214,219,220,256,258,284,285,286,287,294,333,334,340,341,342,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,381,382,383,384,385,391,392,406,413,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,477,491,496,499,501,503,508,517,521,525,532,533,534,536,538,541,542,543,546,547,549,550,553,557,565,566,567,570,571,574,575,579,580,583,585,586,587,590,593,595,596,600,601,604,605,606,607,608,609,612,614,615,616,619,620,627,629,634,635,638,641,642,646,647,652,656,657,658,659,660,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,768,778,831 +0424_00045 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,394,396,415,417,419,421,424,433,435,438,439,442,443,444,447,450,451,455,458,460,465,466,471,484,491,494,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,593,596,600,601,604,608,609,619,625,634,635,639,641,644,653,661,665,666,669,674,678,679,680,684,726,789 +0424_00046 10,11,12,15,19,20,21,144,150,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,342,345,346,352,353,356,357,358,359,366,367,368,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,433,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,494,496,499,503,507,521,522,524,525,531,536,539,540,541,542,543,545,546,547,549,550,553,554,556,557,564,565,566,568,571,574,575,577,578,579,580,581,582,583,585,586,589,590,593,595,596,598,601,604,605,607,608,609,611,614,618,619,620,624,625,627,629,631,634,635,638,639,641,642,643,652,653,656,657,658,661,662,663,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,687,689,690,692,693,694,696,697,698,699,700,703,704,705,706,708,709,710,711,715,722,736,743,759,762,778,785,799,806,822,825 +0424_00047 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,371,372,376,377,378,385,391,392,394,417,421,431,433,435,438,442,444,447,450,452,465,471,491,494,496,503,517,521,525,536,546,547,550,553,554,557,561,565,571,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,646,655,657,658,661,665,666,669,672,673,674,675,678,679,680,684,685,686,689,693,697,698,705,709,710,711,759,822 +0424_00048 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,406,407,421,433,441,444,453,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00049 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0424_00050 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,394,397,404,406,415,417,419,435,438,439,442,443,447,450,451,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,653,655,658,661,665,666,667,669,675,678,679,680,684,726,789 +0424_00051 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,335,339,341,342,345,346,352,353,356,357,366,371,372,375,385,391,392,417,421,431,433,435,442,444,447,471,491,517,521,525,536,541,553,557,565,571,579,580,583,585,593,596,598,600,604,609,614,619,635,641,661,665,669,678,679,680,684,685,686,689,693,697,698,705,709,710,711,712,713 +0424_00052 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,471,490,491,508,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0424_00053 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,759,822 +0424_00054 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0424_00055 10,11,12,15,16,19,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,341,345,352,356,357,371,372,376,377,378,385,391,392,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,655,657,658,661,665,666,669,675,678,679,680,684,689,709,710,711,759,822 +0424_00056 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,381,382,383,385,391,392,393,394,406,407,413,417,421,435,440,441,442,444,447,452,453,463,471,477,490,491,499,508,517,521,525,529,536,537,538,541,542,543,549,553,557,565,566,567,570,571,574,575,579,580,581,583,585,587,590,595,596,600,603,604,605,606,607,609,612,614,615,616,618,619,620,621,627,633,635,638,641,642,644,646,647,652,656,657,659,660,661,665,667,669,678,679,680,681,690,709 +0424_00057 10,11,12,13,14,15,16,17,18,19,20,21,22,23,144,146,147,149,150,151,153,154,158,179,180,181,182,186,187,188,189,193,200,256,257,258,259,260,262,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,381,382,383,385,388,391,392,393,394,397,404,406,407,410,417,419,421,431,432,433,435,436,437,438,440,441,442,443,444,446,447,448,449,450,452,453,454,462,465,471,473,477,483,491,492,493,494,495,496,498,499,503,507,517,521,522,524,525,529,531,536,537,539,540,541,542,543,544,546,547,549,550,553,554,556,557,565,566,567,570,571,572,574,575,577,578,579,580,581,582,583,585,586,588,589,590,591,593,595,596,598,600,601,603,604,607,608,609,612,613,614,615,616,618,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,647,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,688,689,690,691,692,693,694,696,697,699,701,702,703,705,706,709,710,711 +0424_00058 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0424_00059 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,151,153,154,179,180,256,257,258,284,285,286,287,294,300,302,309,333,334,339,341,342,345,346,350,352,353,354,356,357,358,359,366,369,371,372,375,377,381,382,385,388,391,392,393,394,396,407,413,417,419,421,424,431,432,433,435,438,440,441,442,443,444,447,450,452,453,455,465,471,490,491,494,499,508,515,517,521,524,525,529,531,536,537,539,541,542,546,549,550,553,554,556,557,559,565,567,570,571,574,575,577,579,580,581,582,583,585,587,589,593,594,596,600,601,603,604,607,608,609,612,614,618,619,620,624,625,626,629,634,635,638,639,641,643,644,646,647,652,653,657,659,660,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711 +0424_00060 10,11,12,15,19,20,144,146,147,149,150,151,179,180,256,257,258,284,285,286,287,309,333,334,336,341,342,345,346,352,353,356,357,358,359,366,371,372,377,381,385,388,391,392,397,398,404,407,417,419,421,431,432,433,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,624,629,634,635,638,639,641,642,656,657,658,661,665,666,669,672,673,678,679,680,681,683,684,685,686,689,690,693,696,697,698,699,705,708,709,710,711 +0424_00061 10,11,12,13,15,16,19,20,21,179,180,181,182,186,256,257,258,284,285,286,287,302,333,334,341,345,352,353,356,357,358,359,367,371,372,375,377,378,381,385,388,391,396,397,402,404,406,417,419,421,424,431,432,435,438,441,442,443,444,447,450,453,454,455,456,465,471,473,483,491,494,496,503,507,515,517,521,524,525,531,536,539,540,546,547,549,550,553,554,556,557,559,565,571,574,575,578,579,580,581,583,585,586,593,595,596,598,600,601,604,605,608,609,614,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,692,693,694,695,696,697,698,699,701,703,704,705,708,709,710,711,713,759,822 +0424_00062 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0424_00063 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0424_00064 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0424_00065 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0424_00066 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0424_00067 10,11,12,13,19,20,21,179,182,183,186,190,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,580,582,583,600,615,618,638,640,641,642,643,661,665,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713 diff --git a/processed_data/0424/0424_gradient.tsv b/processed_data/0424/0424_gradient.tsv new file mode 100644 index 000000000..868b0b2aa --- /dev/null +++ b/processed_data/0424/0424_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.6 90 10 +5 0.6 90 10 +30 0.6 0 100 diff --git a/processed_data/0424/0424_info.tsv b/processed_data/0424/0424_info.tsv new file mode 100644 index 000000000..169600d72 --- /dev/null +++ b/processed_data/0424/0424_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0424 10.1016/j.chroma.2012.03.059 Submitted by Fangyuan Sun Imma Ferrer, E. Michael Thurman ROASMI_28 diff --git a/processed_data/0424/0424_metadata.tsv b/processed_data/0424/0424_metadata.tsv new file mode 100644 index 000000000..e7127ac16 --- /dev/null +++ b/processed_data/0424/0424_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +0424 Agilent ZORBAX Eclipse XDB-C8 L7 150 4.6 3.5 25 0.6 2.6449999999999996 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90 10 0 0 0 100 0 0 diff --git a/processed_data/0424/0424_report_canonical.pdf b/processed_data/0424/0424_report_canonical.pdf new file mode 100644 index 000000000..79d393865 Binary files /dev/null and b/processed_data/0424/0424_report_canonical.pdf differ diff --git a/processed_data/0424/0424_report_isomeric.pdf b/processed_data/0424/0424_report_isomeric.pdf new file mode 100644 index 000000000..ad0a1e3e5 Binary files /dev/null and b/processed_data/0424/0424_report_isomeric.pdf differ diff --git a/processed_data/0424/0424_rtdata_canonical_success.tsv b/processed_data/0424/0424_rtdata_canonical_success.tsv new file mode 100644 index 000000000..c11c0529a --- /dev/null +++ b/processed_data/0424/0424_rtdata_canonical_success.tsv @@ -0,0 +1,68 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0424_00001 C4H11N5 2.3 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0424_00002 C10H12N2O 3.2 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0424_00003 C13H21NO3 4 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0424_00004 C14H22N2O3 4.2 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0424_00005 C10H16N6S 4.3 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0424_00006 C13H22N4O3S 4.6 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0424_00007 C6H8N2O2S 4.6 C1=CC(=CC=C1N)S(=O)(=O)N InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00008 C7H8N4O2 6.3 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0424_00009 C8H9NO2 6.5 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0424_00010 C9H17NO2 6.5 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0424_00011 C18H21NO3 7 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 OROGSEYTTFOCAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00012 C18H34N2O6S 8.7 CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25) OJMMVQQUTAEWLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0424_00013 C10H7N3S 8.8 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0424_00014 C18H21NO4 9.4 CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 BRUQQQPBMZOVGD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0424_00015 C14H21NO4 9.4 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0424_00016 C8H10N4O2 9.8 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0424_00017 C10H10N4O2S 9.9 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00018 C18H21NO3 10.1 CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4 InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3 LLPOLZWFYMWNKH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00019 C14H18N4O3 10.4 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00020 C16H19N3O4S 10.4 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0424_00021 C9H9N3O2S2 10.6 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00022 C16H25NO2 11.1 CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3 TVYLLZQTGLZFBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00023 C16H25NO2 11.3 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 KYYIDSXMWOZKMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0424_00024 C11H12N4O2S 11.5 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00025 C15H25NO3 12.1 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0424_00026 C17H23NO 12.1 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3 JAQUASYNZVUNQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00027 C38H72N2O12 12.2 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3 MQTOSJVFKKJCRP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00028 C12H14N4O2S 12.4 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00029 C12H14N2O2 12.7 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0424_00030 C9H10N4O2S2 12.7 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00031 C10H14O4 12.7 COC1=CC=CC=C1OCC(CO)O InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 HSRJKNPTNIJEKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00032 C16H17N5O7S2 12.9 CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26) GPRBEKHLDVQUJE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0424_00033 C15H14N2O3 12.9 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20) PRGQOPPDPVELEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00034 C23H34O5 13.4 CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3 SHIBSTMRCDJXLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0424_00035 C17H27NO2 13.5 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00036 C15H14N2O2 13.9 C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) BMPDWHIDQYTSHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00037 C16H21NO2 14.4 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0424_00038 C18H25NO 14.6 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00039 C37H67NO13 14.6 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3 ULGZDMOVFRHVEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00040 C9H18N2O4 14.7 CCCC(C)(COC(=O)N)COC(=O)N InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) NPPQSCRMBWNHMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0424_00041 C46H77NO17 15 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3 WBPYTXDJUQJLPQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00042 C17H21NO 15.1 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0424_00043 C41H64O14 15.2 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3 LTMHDMANZUZIPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0424_00044 C22H26N2O4S 15.2 CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3 HSUGRBWQSSZJOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0424_00045 C10H11N3O3S 15.3 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00046 C13H11NO5 15.4 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0424_00047 C15H12N2O2 15.8 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00048 C38H69NO13 16 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3 AGOYDEPGAOXOCK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00049 C41H76N2O15 16.2 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 RXZBMPWDPOLZGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00050 C12H14N4O4S 16.5 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00051 C21H27NO 16.6 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0424_00052 C16H18N2O4S 16.9 CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22) JGSARLDLIJGVTE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0424_00053 C15H14N2O 17.1 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18) PHNLCHMJDSSPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00054 C15H12N2O2 17.1 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0424_00055 C15H12N2O 17.2 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00056 C16H18N2O5S 17.9 CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22) BPLBGHOLXOTWMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0424_00057 C71H84N10O17 18.4 CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C.CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34) MVTQIFVKRXBCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolide lactams (CHEMONTID:0001900) NA (NA) NA (NA) NA (NA) +0424_00058 C16H14O3 19 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0424_00059 C19H19N3O5S 19.2 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26) UWYHMGVUTGAWSP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0424_00060 C15H13NO3 19.7 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0424_00061 C17H16N2O6 20.5 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3 UMQHJQGNGLQJPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Phenylpyridines (CHEMONTID:0002317) NA (NA) NA (NA) +0424_00062 C14H14O3 20.9 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0424_00063 C19H16O4 21.4 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0424_00064 C13H18O2 23.6 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0424_00065 C15H15NO2 24.6 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0424_00066 C15H22O3 25 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0424_00067 C25H38O5 26.9 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 RYMZZMVNJRMUDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0424/0424_rtdata_isomeric_success.tsv b/processed_data/0424/0424_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..36453ce21 --- /dev/null +++ b/processed_data/0424/0424_rtdata_isomeric_success.tsv @@ -0,0 +1,68 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0424_00001 C4H11N5 2.3 CN(C)C(=N)N=C(N)N InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) XZWYZXLIPXDOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Biguanides (CHEMONTID:0000474) NA (NA) +0424_00002 C10H12N2O 3.2 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0424_00003 C13H21NO3 4 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0424_00004 C14H22N2O3 4.2 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0424_00005 C10H16N6S 4.3 CC1=C(N=CN1)CSCCNC(=NC)NC#N InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) AQIXAKUUQRKLND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) NA (NA) NA (NA) +0424_00006 C13H22N4O3S 4.6 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0424_00007 C6H8N2O2S 4.6 C1=CC(=CC=C1N)S(=O)(=O)N InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) FDDDEECHVMSUSB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00008 C7H8N4O2 6.3 CN1C=NC2=C1C(=O)N(C(=O)N2)C InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0424_00009 C8H9NO2 6.5 CC(=O)NC1=CC=C(C=C1)O InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) RZVAJINKPMORJF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0424_00010 C9H17NO2 6.5 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0424_00011 C18H21NO3 7 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 OROGSEYTTFOCAN-DNJOTXNNSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00012 C18H34N2O6S 8.7 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 OJMMVQQUTAEWLP-KIDUDLJLSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0424_00013 C10H7N3S 8.8 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0424_00014 C18H21NO4 9.4 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 BRUQQQPBMZOVGD-XFKAJCMBSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenanthrenes and derivatives (CHEMONTID:0000025) NA (NA) NA (NA) NA (NA) +0424_00015 C14H21NO4 9.4 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0424_00016 C8H10N4O2 9.8 CN1C=NC2=C1C(=O)N(C(=O)N2C)C InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0424_00017 C10H10N4O2S 9.9 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) SEEPANYCNGTZFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00018 C18H21NO3 10.1 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4 InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1 LLPOLZWFYMWNKH-CMKMFDCUSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00019 C14H18N4O3 10.4 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00020 C16H19N3O4S 10.4 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0424_00021 C9H9N3O2S2 10.6 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) JNMRHUJNCSQMMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00022 C16H25NO2 11.1 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 TVYLLZQTGLZFBW-ZBFHGGJFSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00023 C16H25NO2 11.3 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 KYYIDSXMWOZKMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0424_00024 C11H12N4O2S 11.5 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15) QPPBRPIAZZHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00025 C15H25NO3 12.1 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 IUBSYMUCCVWXPE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Tyrosols and derivatives (CHEMONTID:0000139) NA (NA) NA (NA) +0424_00026 C17H23NO 12.1 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1 JAQUASYNZVUNQP-PVAVHDDUSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00027 C38H72N2O12 12.2 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 MQTOSJVFKKJCRP-BICOPXKESA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00028 C12H14N4O2S 12.4 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) ASWVTGNCAZCNNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00029 C12H14N2O2 12.7 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) DQMZLTXERSFNPB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydropyrimidines (CHEMONTID:0002202) NA (NA) +0424_00030 C9H10N4O2S2 12.7 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13) VACCAVUAMIDAGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00031 C10H14O4 12.7 COC1=CC=CC=C1OCC(CO)O InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 HSRJKNPTNIJEKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00032 C16H17N5O7S2 12.9 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1 GPRBEKHLDVQUJE-VINNURBNSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Cephems (CHEMONTID:0000168) Cephalosporins (CHEMONTID:0000173) +0424_00033 C15H14N2O3 12.9 C1=CC=C2C(=C1)[C@H]([C@@H](C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1 PRGQOPPDPVELEG-ZIAGYGMSSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00034 C23H34O5 13.4 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 SHIBSTMRCDJXLN-KCZCNTNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) NA (NA) +0424_00035 C17H27NO2 13.5 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 PNVNVHUZROJLTJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0424_00036 C15H14N2O2 13.9 C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) BMPDWHIDQYTSHX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00037 C16H21NO2 14.4 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0424_00038 C18H25NO 14.6 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0424_00039 C37H67NO13 14.6 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 ULGZDMOVFRHVEP-RWJQBGPGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00040 C9H18N2O4 14.7 CCCC(C)(COC(=O)N)COC(=O)N InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) NPPQSCRMBWNHMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Carbamic acids and derivatives (CHEMONTID:0000318) +0424_00041 C46H77NO17 15 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 WBPYTXDJUQJLPQ-VMXQISHHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00042 C17H21NO 15.1 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0424_00043 C41H64O14 15.2 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 LTMHDMANZUZIPE-PUGKRICDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Cardenolides and derivatives (CHEMONTID:0001555) Cardenolide glycosides and derivatives (CHEMONTID:0001559) +0424_00044 C22H26N2O4S 15.2 CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 HSUGRBWQSSZJOP-RTWAWAEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazepines (CHEMONTID:0000317) NA (NA) NA (NA) NA (NA) +0424_00045 C10H11N3O3S 15.3 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) JLKIGFTWXXRPMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00046 C13H11NO5 15.4 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) KYGZCKSPAKDVKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0424_00047 C15H12N2O2 15.8 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) CTRLABGOLIVAIY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00048 C38H69NO13 16 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 AGOYDEPGAOXOCK-KCBOHYOISA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00049 C41H76N2O15 16.2 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HEWSMUCTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0424_00050 C12H14N4O4S 16.5 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) ZZORFUFYDOWNEF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0424_00051 C21H27NO 16.6 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 USSIQXCVUWKGNF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0424_00052 C16H18N2O4S 16.9 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 JGSARLDLIJGVTE-MBNYWOFBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0424_00053 C15H14N2O 17.1 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18) PHNLCHMJDSSPDQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00054 C15H12N2O2 17.1 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0424_00055 C15H12N2O 17.2 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) FFGPTBGBLSHEPO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0424_00056 C16H18N2O5S 17.9 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 BPLBGHOLXOTWMN-MBNYWOFBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0424_00057 C71H84N10O17 18.4 CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C.CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34) MVTQIFVKRXBCHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolide lactams (CHEMONTID:0001900) NA (NA) NA (NA) NA (NA) +0424_00058 C16H14O3 19 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0424_00059 C19H19N3O5S 19.2 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1 UWYHMGVUTGAWSP-JKIFEVAISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0424_00060 C15H13NO3 19.7 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) OZWKMVRBQXNZKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0424_00061 C17H16N2O6 20.5 CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3 UMQHJQGNGLQJPF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Phenylpyridines (CHEMONTID:0002317) NA (NA) NA (NA) +0424_00062 C14H14O3 20.9 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0424_00063 C19H16O4 21.4 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0424_00064 C13H18O2 23.6 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0424_00065 C15H15NO2 24.6 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0424_00066 C15H22O3 25 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0424_00067 C25H38O5 26.9 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 RYMZZMVNJRMUDD-HGQWONQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) diff --git a/processed_data/0424/0424_validation_qspr_outliers.tsv b/processed_data/0424/0424_validation_qspr_outliers.tsv new file mode 100644 index 000000000..d2c3e2fc0 --- /dev/null +++ b/processed_data/0424/0424_validation_qspr_outliers.tsv @@ -0,0 +1,2 @@ +id error +0424_00067 10.44748773007792 diff --git a/processed_data/0425/0425_descriptors_canonical_success.tsv b/processed_data/0425/0425_descriptors_canonical_success.tsv new file mode 100644 index 000000000..72964b2e9 --- /dev/null +++ b/processed_data/0425/0425_descriptors_canonical_success.tsv @@ -0,0 +1,304 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0425_00001 11.996320061010238 15.998259298781901 -0.34669209733029943 0.3096224287378431 4.042338877053613 7.897130944812349 0 0.9820000000000001 122.12160565560956 0 1 2.01 9 6 9 0 15 0 0 0.9680000000000002 0.9370240000000004 36.955 1 1 1 1 1 0 0 0 1 0 0 0 0.3056455615998364 40 88 9 17.528614391257374 1.9476238212508195 4.815164890527418 4.815164890527418 0 4.169925001442312 37.3 0.6666666666666666 0.4 0 0 0 0 6.083643418932058 4.74510280626355 0 1 0 0 0.4999999999999999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7.111111111111111 3.239669421487603 2 0 153.02 0.6666666666666666 69 6.690234444311989 4.304530452640312 3.642107032211584 2.5926389558431224 1.8008334588458519 1.250443623153493 0.4511844635310912 0.23570226039551587 4.7422132319119505 2.58841454550487 1.6711779681929217 1.0207396434199778 0.580729833546644 0.3303225036425437 0.07960067528630259 0.027438952785704275 1.040440114519881 1.054737854124365 1.040440114519881 0.22021816303139571 0.1960792226629554 0.14681210868759714 0.5 0 0.16666666666666666 0 0.12897687979209715 0 0.015214515486254614 0 0 0 0 0.10206207261596577 0.05892556509887897 0 0 0 0.032075014954979206 0.016037507477489603 0 0 1 5 1 0 0 0 0 367.54878003808614 393.89223791406255 463.79280920019545 348.04878884765634 153.12468665039066 10.548938071081892 9.664183954265129 12.438652989806075 10.328367908530257 6.328367908530261 0.1964530420545412 -0.10798188018888374 0.014265436240030162 -0.00435652225746982 -1.513258408620464e-4 1 2 7.517241999999999 17.924757999999997 +0425_00002 11.99632004004988 15.998702755620032 -0.3853283186170713 0.2932208997167145 4.101150238527465 8.132381474359383 0 0.9079999999999999 138.12101058317893 0 1 1.9 10 6 10 0 16 0 0 0.40489999999999987 0.1639440099999999 38.5605 1 1 1 1 1 0 0 0 1 0 0 0 0.4167883352813243 46 114 12 19.384818910762164 1.9384818910762163 7.33207425342667 7.33207425342667 0 4.321928094887363 57.53 0.6666666666666666 0.4 0 0 0 0 3.965406456500188 5.553157574048103 0 2.381101577952299 0 0 0.944940787421155 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8.1 3.408284023668639 1.991111111111111 0 166.03 0.6 76 7.5604779323150675 4.715214055163271 4.169612480946085 3.03412990558947 2.335345682116131 1.3417157626978657 0.5656411416862253 0.2405626121623441 5.112076558222283 2.7286880099215156 1.8223016228423563 1.134458362228448 0.6544892453505133 0.34166515398332226 0.09696502228271534 0.029974130103161106 1.498266827140417 2.174558378851144 2.133706448243255 0.33333038585206964 0.3390915031669123 0.26470970553895873 0.7051183572168035 0 0.23230780835289197 0 0.18236205254425736 0 0.0318100567298665 0 0 0 0 0.08333333333333333 0.13144585576580214 0 0 0 0.027777777777777776 0.026311488763887718 0 0 1 5 1 0 0 0 0 412.93912049511727 453.54235730273444 565.120532708008 467.4594327695314 235.39254204101567 12.323407106622838 10.996275931397692 15.102836944071203 14.32464383992795 11.209397956744716 0.2573373172724306 -0.10993746359994916 0.028457583504487426 -0.11211133735240073 0.0658098322387846 2 3 7.5172419999999995 18.726757999999997 +0425_00003 11.996355046268173 15.999992982556146 -0.38297887845105283 0.15847402361567473 3.6835679882565 7.984889817273213 0 2.0269999999999997 184.10660944795015 0 2 1.35 13 7 13 0 17 0 0 0.3247 0.10543008999999999 44.9985 0 1 1 1 1 0 0 0 1 0 0 0 0.5788208795853972 62 240 18 25.090583670326314 1.9300448977174087 18.237133107402414 12.18549009746603 6.051643009936391 4.700439718141093 106.51 1 0.5 0 0 0 0 1.6509636244473134 5.853800636117529 0 1.6509636244473134 0 0 2.2516000642010217 0 0 0 0 0 0 0 0.25 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11.076923076923077 4.481481481481482 2.7210884353741496 0 133.07 0.46153846153846156 123 10.008071689507773 6.0197445078035825 5.702304551397189 4.0977297590701305 2.9255180239220064 2.080579768914636 1.4585633260488053 0.48185345041319055 5.909974546369657 3.2460977198387377 2.2517398112280342 1.4660755567323254 0.844244127044985 0.5079988489208423 0.19246793752331245 0.05239538095689938 2.499423231594378 3.04623435447238 3.673011363019498 0.4925254295163742 0.5101513727585905 0.507296329309002 1.2051183572168036 0 0.3989744750195586 0 0.284462925250514 0 0.026352313834736494 0 0 0 0 0.06804138174397717 0.14660880187581576 0 0 0 0.024056261216234408 0.04477897794478697 0 0 0 6 0 0 0 0 0 489.7824252534182 557.5396450380861 735.360769940674 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MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 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4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0425_00011 26,49,103,120,134,153,202,207,210,223,231,245,250,273,283,473,506,508,516,559,597,624,629,662,681,802,826,930,948,981,992,994 +0425_00012 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0425_00013 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0425_00014 26,103,120,134,153,223,245,250,273,473,506,508,559,662,773,826,891,930,948,965,981,994 +0425_00015 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0425_00016 20,51,62,91,134,153,158,193,260,270,281,284,296,319,322,345,347,366,418,430,480,508,516,522,550,573,589,626,658,702,727,778,800,807,812,820,826,948,968,994,999,1005 +0425_00017 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0425_00018 15,20,22,43,56,62,67,89,113,134,146,153,163,175,182,220,237,278,280,293,319,347,366,367,430,473,475,480,487,502,508,516,524,550,578,647,649,671,712,727,748,772,777,778,781,798,826,852,899,948,954,968,994,1008 +0425_00019 5,26,72,96,120,134,153,207,223,243,245,254,273,280,361,362,473,506,508,559,662,685,710,744,802,856,948,981,994 +0425_00020 20,48,52,67,68,72,94,96,134,153,160,168,211,241,270,272,273,281,282,322,335,336,337,347,400,405,451,456,470,487,502,505,506,508,524,540,543,548,550,596,603,615,626,652,654,658,662,672,700,714,721,725,727,746,750,755,759,781,794,800,808,855,868,872,885,889,928,936,940,948,963,968,971,994,1012,1016 +0425_00021 20,75,84,89,96,134,234,254,268,341,461,481,487,506,508,524,550,612,666,727,766,783,815,821,833,883,887,906,908,951,964,968,972,974,976,1006 +0425_00022 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0425_00023 20,24,25,42,48,57,62,68,91,96,101,102,134,146,153,155,158,183,261,270,303,305,345,347,360,374,405,430,443,477,487,494,500,508,515,516,550,553,585,605,613,616,652,670,686,695,704,725,727,768,778,800,826,844,852,903,928,948,968,970,987,994,1005,1009,1012 +0425_00024 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0425_00025 43,47,51,92,96,99,111,120,134,144,145,146,153,165,204,213,220,229,231,236,245,263,273,312,421,437,459,487,508,524,550,572,588,603,609,610,626,670,677,686,726,793,839,879,943,948,968,1000 +0425_00026 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0425_00027 8,9,15,48,58,66,75,89,103,123,134,146,147,153,229,236,242,244,250,260,306,321,336,338,371,407,414,425,481,490,508,509,511,513,516,537,552,636,714,733,746,773,797,823,874,906,948,964,968,994 +0425_00028 15,20,32,89,94,106,272,364,392,461,508,524,626,677,699,727,729,772,915,971,974 +0425_00029 6,8,15,20,21,26,41,58,62,94,131,134,149,153,189,193,212,217,263,271,272,298,407,437,442,461,480,487,506,508,524,531,537,550,559,626,627,654,662,707,719,727,776,781,811,828,859,870,872,892,911,945,948,968,969,976,994,1022 +0425_00030 20,21,81,94,96,131,134,145,153,216,246,249,335,343,381,395,421,428,443,480,487,508,530,550,563,601,626,635,665,679,727,752,897,936,968,987 +0425_00031 20,22,38,63,94,96,107,109,134,145,146,161,167,207,256,260,263,274,331,347,378,421,452,487,508,511,515,517,550,575,626,647,649,727,781,802,807,833,871,892,948,962,968 +0425_00032 17,26,115,122,134,149,153,207,226,227,239,246,253,270,279,281,310,363,390,471,515,516,522,527,550,558,620,626,640,647,669,676,715,733,787,802,819,946,947,948,968,970,989,995,1019 +0425_00033 14,23,26,28,47,81,117,122,127,134,149,153,207,216,226,227,246,253,260,270,278,279,281,302,305,347,350,353,363,390,467,471,505,508,515,516,522,527,549,550,558,582,586,626,636,640,647,666,669,715,778,787,802,811,812,850,925,948,968,973,980,989,1008,1019 +0425_00034 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0425_00035 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0425_00036 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0425_00037 1,15,20,24,47,94,96,107,134,158,180,207,237,245,263,272,309,316,350,359,378,439,487,498,508,517,524,550,564,588,598,603,611,619,626,640,647,654,683,714,716,722,727,795,802,876,948,968,973,991 +0425_00038 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0425_00039 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0425_00040 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0425_00041 15,20,22,60,89,134,175,182,220,237,278,280,293,316,319,347,367,453,454,473,480,487,502,508,516,524,550,644,647,649,666,671,686,727,748,772,777,781,793,883,929,948,954,968,1008 +0425_00042 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0425_00043 12,20,109,115,123,126,134,152,153,229,260,270,281,347,349,405,417,421,466,505,508,515,530,549,550,577,586,600,606,651,708,711,726,727,762,778,786,812,820,909,948,952,968 +0425_00044 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0425_00045 77,121,134,153,207,270,286,350,364,390,481,522,550,620,626,640,647,676,733,782,787,849,947,968,991 +0425_00046 47,62,73,83,89,96,134,140,145,153,204,245,286,300,367,405,421,459,487,496,508,518,524,550,572,582,588,598,620,626,640,676,677,733,778,799,802,826,860,943,947,948,967,968,994,999,1008 +0425_00047 5,26,62,96,120,134,153,207,223,231,245,273,280,361,362,473,476,506,508,518,559,593,604,639,662,710,802,856,888,948,981,994 +0425_00048 26,96,120,134,138,145,153,156,186,223,245,273,275,339,353,420,421,473,487,506,508,540,550,559,662,730,731,889,948,954,968,981,994,999 +0425_00049 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0425_00050 20,24,57,94,107,118,141,153,196,207,231,250,448,462,481,508,544,626,635,692,727,757,834,905,948,954 +0425_00051 51,53,86,89,100,115,134,153,155,189,209,214,245,260,270,275,281,296,325,343,347,393,401,405,418,430,433,480,506,508,550,565,572,580,591,658,662,676,705,713,720,731,771,773,774,776,780,786,798,800,812,820,836,902,948,963,968,994,1015 +0425_00052 15,20,29,33,38,68,94,96,109,134,144,145,146,154,169,175,225,236,237,260,347,373,389,407,421,454,456,458,481,487,508,511,515,524,550,565,567,575,605,626,649,650,727,744,751,804,871,873,874,897,931,938,954,968,980,1006 +0425_00053 8,20,43,62,73,96,115,134,153,182,206,207,220,233,278,336,339,360,367,373,377,446,467,487,488,508,516,550,560,599,727,748,802,899,902,908,917,948,957,968,994,998,1019 +0425_00054 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0425_00055 9,15,20,29,34,51,67,88,110,111,134,153,175,203,237,242,245,260,295,296,322,335,346,347,369,371,386,387,394,411,418,425,430,443,454,467,488,495,499,508,515,524,549,550,555,561,583,619,620,626,635,640,643,654,676,683,686,727,733,735,756,763,773,788,800,812,832,846,897,902,936,947,954,968,987,994,1011 +0425_00056 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0425_00057 15,26,89,141,207,230,319,407,421,425,472,481,519,539,582,594,802,819,948,950,955,964 +0425_00058 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0425_00059 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0425_00060 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0425_00061 5,26,58,62,120,125,130,134,153,207,223,231,245,273,280,361,362,365,378,473,476,506,508,518,556,557,581,604,639,662,716,802,804,850,946,948,981,994 +0425_00062 53,62,122,134,136,146,153,159,197,206,207,227,235,236,237,305,334,350,390,409,440,495,508,516,522,527,530,550,626,647,787,790,802,809,948,968,1003,1019 +0425_00063 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0425_00064 20,24,94,107,130,134,178,197,207,263,320,350,378,400,422,434,462,485,508,517,550,552,555,588,611,612,622,626,635,647,702,727,728,773,802,897,948,968,1011 +0425_00065 20,26,134,144,168,207,287,379,405,425,436,464,488,493,500,504,508,516,520,557,570,605,670,727,773,809,863,898,930,937,948,977,998,1011 +0425_00066 17,26,35,110,115,122,134,144,153,170,207,226,227,251,310,390,459,515,516,527,532,626,640,647,676,714,787,822,946,948,968,977,995 +0425_00067 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0425_00068 20,31,68,94,96,134,186,191,211,456,487,508,548,550,626,669,697,727,799,804,805,928,968,1007 +0425_00069 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0425_00070 15,53,70,95,96,101,134,146,150,153,175,236,272,354,405,414,461,470,481,487,508,538,550,614,649,654,687,714,734,773,782,817,821,825,874,968,980,1007 +0425_00071 7,15,19,20,21,25,26,89,107,117,134,148,153,214,222,245,255,267,269,285,293,308,315,326,338,342,343,351,357,399,401,406,427,492,494,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,772,819,821,836,840,841,847,866,898,936,948,968,995,996,1021,1022 +0425_00072 5,15,20,21,25,26,89,97,134,150,153,165,222,245,255,269,285,288,290,303,311,315,326,343,361,384,408,443,450,452,477,490,492,499,503,508,513,517,523,566,574,614,626,647,656,727,744,768,772,782,819,836,840,855,880,898,900,924,926,934,936,948,968,995,1005,1014,1022 +0425_00073 1,12,15,20,26,29,55,60,68,89,129,134,158,222,251,275,276,285,299,315,325,336,350,390,395,467,492,493,499,515,550,566,567,625,626,640,641,676,716,730,733,769,772,799,830,836,873,879,883,908,936,947,948,958,964,968,1008,1011,1022 +0425_00074 1,12,15,20,26,29,60,68,85,89,134,158,222,251,276,285,315,325,336,350,449,454,467,492,493,499,515,550,563,566,567,618,626,640,676,698,716,733,763,769,772,830,879,908,936,947,948,954,968,996,1008,1011,1022 +0425_00075 14,15,26,32,41,65,89,130,134,148,153,222,245,288,315,357,360,377,386,397,443,465,466,468,486,492,495,499,508,513,556,559,566,585,588,603,626,656,701,705,712,716,761,772,824,831,847,855,893,916,935,938,941,948,950,968,994,1014,1022 +0425_00076 5,15,20,25,26,65,89,120,134,150,153,161,165,181,198,222,245,255,285,288,290,302,315,326,329,369,408,415,443,450,452,477,490,492,499,500,508,513,523,566,572,574,585,614,626,635,647,656,702,727,763,772,782,855,898,904,926,934,936,948,968,973,981,1005,1014,1022 +0425_00077 1,15,20,26,29,68,77,89,104,134,158,214,222,237,245,251,276,292,315,325,336,350,400,467,492,493,499,508,515,550,566,567,586,626,640,666,676,703,716,726,733,757,769,772,782,783,830,879,908,947,948,951,968,1008,1011,1014,1022 +0425_00078 35,86,146,153,236,347,411,505,508,609,626,655,917,948,994 +0425_00079 4,15,26,47,60,85,89,102,125,134,222,226,237,245,260,285,288,302,414,416,437,454,469,485,492,499,508,540,566,603,609,618,626,637,641,644,676,698,746,763,769,772,819,851,936,947,948,949,954,964,990,996,1022 +0425_00080 29,122,127,134,151,153,167,192,207,211,227,297,390,474,487,515,516,527,550,586,626,640,647,676,696,781,787,792,802,814,940,948,968,998 +0425_00081 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0425_00082 6,10,15,47,59,80,89,94,114,134,153,160,201,204,207,245,260,352,367,390,483,506,508,519,540,595,610,626,646,662,684,707,738,760,791,809,816,832,901,908,940,948,949,951,964,982,983 +0425_00083 20,26,37,48,77,84,89,94,96,101,128,134,141,145,153,167,180,207,233,245,276,295,297,303,327,338,406,421,422,444,481,485,487,492,499,508,516,524,550,575,581,589,601,611,626,647,648,677,727,767,773,794,817,843,853,876,917,948,968,1007 +0425_00084 17,134,146,172,220,236,343,407,479,481,508,522,532,542,550,558,629,686,874,893,948,968 +0425_00085 5,15,20,26,51,58,70,87,89,94,102,134,139,193,196,217,222,245,249,258,261,262,270,290,317,318,442,461,463,493,499,500,508,511,532,535,574,584,593,598,626,646,656,677,712,717,727,772,776,778,780,853,855,888,895,907,909,936,948,962,963,968,973,979,994,1015 +0425_00086 91,134,144,198,214,346,434,550,620,626,640,676,727,732,733,756,863,947,948,968,977 +0425_00087 4,6,15,20,32,40,42,58,89,115,134,151,182,189,193,201,204,223,245,254,262,267,270,303,328,347,422,431,445,454,456,461,464,477,508,515,534,540,549,550,562,573,612,631,635,636,640,654,691,692,695,705,710,711,728,762,778,794,851,868,870,882,893,908,909,935,938,948,964,968,980,1012 +0425_00088 15,20,63,94,96,134,153,155,205,233,251,334,433,480,482,487,489,508,522,550,560,577,616,626,657,692,719,725,727,739,758,781,935,945,968 +0425_00089 52,56,79,134,138,153,173,207,235,242,254,304,326,328,335,338,349,417,453,502,508,515,534,541,626,637,640,657,713,797,799,802,819,935,948,968,989,994 +0425_00090 96,134,145,249,271,272,282,283,335,353,362,421,487,550,568,626,640,644,654,675,714,840,963,968,987,995 +0425_00091 98,122,134,153,159,207,211,227,270,297,350,390,516,522,550,620,626,640,647,676,733,782,787,802,940,947,948,968,998 +0425_00092 96,134,145,146,172,236,407,414,421,462,481,487,508,550,558,874,893,960,968 +0425_00093 4,15,89,146,148,210,236,237,312,473,508,516,609,626,640,754,772,788,840,870,900,922,983,1015 +0425_00094 20,24,49,78,96,98,134,139,144,145,278,381,421,487,508,516,530,536,550,595,599,659,670,727,883,948,968,1011 +0425_00095 44,134,223,232,245,506,508,662,962,981 +0425_00096 99,134,146,172,199,236,256,260,347,407,449,479,481,487,508,532,549,550,558,564,574,636,684,687,812,820,824,874,893,898,948,954,968 +0425_00097 25,63,96,115,134,146,162,172,173,215,236,280,406,487,508,515,518,532,550,577,595,606,609,626,713,741,787,819,921,935,968 +0425_00098 15,56,79,89,91,120,134,138,210,221,228,237,242,244,245,304,305,328,401,417,453,473,508,515,581,616,626,637,640,657,713,772,784,788,799,800,819,908,940,951,968,989 +0425_00099 20,37,68,89,94,96,102,124,134,143,145,146,155,183,249,335,405,421,456,477,487,494,508,515,547,550,613,616,622,626,633,652,714,725,727,737,740,928,938,949,968,970,979,987,1012 +0425_00100 56,120,125,134,152,174,220,404,405,449,452,513,543,555,591,638,662,702,760,768,794,932,948,960,968 +0425_00101 91,134,144,153,214,300,393,481,482,526,550,620,626,633,640,676,718,733,776,862,863,947,948,963,968,977,984 +0425_00102 20,188,259,290,341,388,423,481,508,575,727,756 +0425_00103 5,9,22,26,33,41,58,90,130,134,153,199,207,245,273,357,362,373,421,431,435,506,508,524,556,557,568,581,585,662,663,666,668,684,686,728,736,802,806,831,850,909,920,930,946,948,951,984,994 +0425_00104 70,72,81,134,153,216,230,256,301,347,385,393,405,409,411,429,442,449,478,505,564,580,585,640,686,687,697,750,763,808,820,948,954,968,994 +0425_00105 20,88,94,153,326,369,480,508,530,626,666,727,752,775,778,976 +0425_00106 15,26,27,44,75,89,104,134,214,222,245,262,270,288,292,315,326,400,418,445,492,499,508,519,554,566,586,626,640,650,666,674,676,703,737,757,772,782,783,843,872,882,894,895,898,948,949,951,976,988,1022 +0425_00107 102,134,144,212,214,244,328,361,364,504,515,626,640,709,791,826,831,902,920,948,968,977 +0425_00108 8,96,131,133,134,145,146,153,154,172,207,230,236,256,326,347,360,363,389,393,414,421,442,461,462,487,492,502,508,516,550,571,621,726,777,795,802,817,819,820,855,867,915,948,954,968,999 +0425_00109 39,49,96,110,134,136,139,145,153,193,207,211,232,281,363,381,421,472,487,515,516,527,530,550,593,675,714,787,802,824,872,907,915,938,948,968,971,1022 +0425_00110 3,64,96,134,141,146,148,344,350,370,405,481,487,503,506,550,575,596,615,662,677,786,797,872,887,889,968,979 +0425_00111 56,79,134,138,144,242,244,304,308,328,357,361,417,426,453,504,508,515,580,626,637,640,657,688,713,791,799,819,851,948,968,977,987,989 +0425_00112 15,26,60,67,85,89,104,134,155,222,245,249,260,263,279,285,288,302,414,454,469,492,499,508,535,540,559,566,576,598,603,609,618,626,629,676,679,681,698,699,723,763,769,772,783,851,936,948,949,954,956,983,996,1009,1022 +0425_00113 4,15,35,62,96,134,145,146,153,156,157,172,236,253,283,319,347,376,414,421,430,462,487,508,531,550,556,601,662,745,755,777,778,781,826,908,941,948,968,994 +0425_00114 20,96,126,131,134,146,163,196,217,228,233,278,376,385,388,405,425,487,508,516,550,570,596,615,679,727,772,773,793,831,846,872,929,948,968,979,985,998,1002 +0425_00115 5,15,20,53,78,89,96,120,134,138,139,145,169,190,237,260,278,351,353,381,421,444,452,473,474,487,488,492,508,516,530,541,550,597,613,648,659,727,772,923,928,948,968 +0425_00116 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0425_00117 20,28,74,95,98,133,134,146,162,172,201,236,300,347,461,481,482,508,516,532,533,549,550,617,647,713,716,727,770,862,879,887,948,968,970 +0425_00118 20,25,50,68,92,96,108,134,145,146,149,172,187,232,236,242,259,278,280,316,328,416,421,427,452,467,487,490,497,498,508,515,516,545,550,577,609,620,626,628,640,672,682,688,700,709,714,727,736,744,762,777,780,791,799,819,863,873,879,948,960,968,998 +0425_00119 20,38,63,94,96,109,134,145,161,169,256,260,274,347,421,436,454,456,487,508,511,515,550,575,602,619,626,727,741,781,807,826,849,871,897,898,968 +0425_00120 96,119,134,141,146,148,154,200,223,350,405,461,485,487,503,506,547,550,552,558,569,592,596,615,654,662,692,717,786,797,862,867,872,914,955,968 +0425_00121 15,20,78,96,134,139,145,177,186,209,220,249,252,255,277,278,298,348,374,381,421,443,456,461,477,487,508,516,530,550,561,589,593,630,635,659,727,773,777,890,948,968,978,998,1012 +0425_00122 8,15,20,30,48,68,78,96,134,139,145,161,186,220,255,278,298,374,381,421,425,461,479,487,508,513,516,530,533,550,561,635,651,659,714,727,728,745,800,856,863,927,948,968,1012 +0425_00123 20,22,58,128,134,153,182,213,220,278,288,319,366,367,420,480,487,491,502,508,516,550,562,618,649,659,727,772,781,911,914,948,968,994 +0425_00124 20,26,74,78,96,109,134,139,145,153,184,230,260,278,321,347,381,410,421,434,466,487,505,508,515,516,520,530,544,550,611,659,663,673,723,727,781,821,830,840,866,905,913,915,926,948,961,968,970,994 +0425_00125 20,26,74,109,134,181,184,220,230,260,278,296,300,347,373,381,410,466,482,487,508,515,516,520,522,530,541,549,550,611,626,673,686,727,771,781,802,821,840,905,911,915,926,948,961,968,970,999,1022 +0425_00126 15,19,26,46,50,83,89,95,128,134,148,151,195,229,239,245,247,252,259,281,356,357,368,389,402,442,452,486,492,499,508,513,558,574,618,626,635,690,716,721,756,766,769,772,793,804,810,851,882,906,936,948,954,968,1009,1022 +0425_00127 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0425_00128 15,85,89,134,144,214,222,260,280,298,328,347,373,385,393,396,405,414,422,426,486,505,532,549,550,613,626,651,666,673,702,772,778,812,863,948,953,968,980,996,1013 +0425_00129 20,62,94,134,151,153,154,194,220,240,256,295,310,322,340,347,381,405,411,429,437,442,449,471,505,508,513,524,544,564,611,615,629,642,645,663,666,710,722,727,756,763,764,782,808,820,821,823,878,889,897,898,948,954,964,968,984,994,1008 +0425_00130 20,24,38,49,83,98,134,136,144,161,217,260,267,278,344,347,505,508,516,530,536,549,550,599,659,666,670,727,778,802,812,871,873,883,948,968,980,1011 +0425_00131 15,26,83,89,95,109,128,130,134,148,151,153,159,161,195,209,222,239,240,245,247,252,267,281,288,293,344,357,368,442,452,486,492,508,513,540,559,574,577,597,626,635,639,690,716,719,721,733,756,766,772,793,804,812,827,851,855,906,909,936,948,968,994,1009,1022 +0425_00132 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0425_00133 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0425_00134 30,62,134,138,146,153,172,192,193,236,261,264,304,331,407,417,421,424,451,453,476,481,508,515,558,644,657,660,670,819,844,874,893,916,922,948,968,989,994 +0425_00135 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0425_00136 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0425_00137 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 +0425_00138 20,31,53,68,87,96,102,127,134,137,151,153,165,181,188,207,211,241,243,256,294,295,297,347,395,408,411,449,461,487,494,497,502,505,508,516,524,550,596,627,639,705,727,763,771,802,820,826,916,948,954,968,994,1018 +0425_00139 4,25,27,38,56,105,134,146,158,172,187,220,223,226,236,248,259,280,347,353,365,367,377,392,406,408,412,446,452,475,503,508,515,529,532,545,549,550,566,571,577,606,609,616,626,640,648,662,666,700,705,713,740,744,764,770,772,778,819,873,948,949,968,992,995 +0425_00140 20,26,37,48,77,84,89,94,101,128,134,141,153,180,207,233,245,270,295,297,303,327,338,350,406,422,444,481,485,492,499,508,516,524,550,575,581,589,611,620,626,640,647,648,676,677,727,733,767,773,817,843,853,876,917,922,947,948,968,975,1007 +0425_00141 15,42,68,89,94,122,134,139,153,156,173,185,210,220,224,245,250,259,311,326,330,340,370,379,461,463,506,508,524,533,569,575,580,582,585,626,649,662,671,675,773,791,806,817,841,853,878,910,918,920,948,964,965,968,974,976 +0425_00142 13,21,53,57,64,111,127,134,146,148,153,197,207,220,236,260,276,297,321,347,367,383,407,411,433,446,449,465,505,508,515,516,544,550,570,678,726,742,745,763,802,812,873,948,954,968,994,995,1002 +0425_00143 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0425_00144 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0425_00145 30,69,77,134,138,153,207,220,254,256,297,303,304,347,363,386,399,411,417,449,453,479,493,494,505,508,515,516,542,550,627,639,657,679,686,687,705,744,763,765,771,802,819,820,859,889,916,948,950,954,961,968,989,994 +0425_00146 20,89,99,134,153,155,199,232,270,275,288,310,311,319,326,327,330,341,369,374,405,422,432,436,461,470,481,492,508,524,614,622,626,671,680,719,727,773,791,894,919,936,948,968,974 +0425_00147 1,45,96,134,141,146,148,220,247,310,338,343,350,365,374,388,405,469,486,487,503,506,513,524,550,596,615,654,662,731,786,797,808,855,872,907,927,948,968,971,1001 +0425_00148 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0425_00149 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0425_00150 1,15,35,40,89,134,144,153,159,169,170,187,194,206,207,224,227,245,251,292,326,331,346,347,370,390,408,412,423,427,442,446,467,487,498,516,540,550,559,564,624,626,649,705,708,714,779,781,800,813,836,859,936,948,968,977 +0425_00151 20,61,96,134,136,144,145,174,214,220,278,343,351,372,421,455,483,487,494,506,508,516,522,530,542,550,554,579,659,678,686,727,772,784,808,842,875,907,938,948,968,977,982 +0425_00152 20,78,96,115,134,139,145,148,273,278,351,381,395,405,421,450,452,487,508,516,530,547,550,557,659,727,772,773,799,819,839,890,968,992 +0425_00153 15,26,29,41,44,66,86,90,134,153,160,175,207,222,233,237,319,352,356,380,420,487,488,515,524,540,550,559,586,591,603,626,631,640,676,686,687,714,765,781,792,889,931,948,954,960,968,994 +0425_00154 20,22,26,31,41,68,96,109,134,182,207,211,218,220,230,260,278,327,347,367,374,381,396,410,431,484,485,487,502,508,515,516,530,550,563,594,617,624,635,727,748,781,802,821,894,905,906,913,948,968,979 +0425_00155 144,146,148,153,193,214,236,256,275,347,401,411,442,489,505,508,592,649,662,672,763,795,820,842,864,915,948,954,977,981,994,1022 +0425_00156 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0425_00157 40,134,144,181,190,215,245,257,405,429,468,481,504,508,524,554,559,570,603,625,628,662,739,794,806,829,843,863,896,948,977 +0425_00158 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0425_00159 20,31,68,74,84,90,96,108,134,146,151,168,188,211,220,221,236,260,278,300,326,347,380,405,461,487,505,508,515,516,531,549,550,553,568,599,604,613,722,727,772,787,822,832,840,868,873,887,910,916,918,948,968,988,992 +0425_00160 20,28,31,49,50,65,68,74,84,90,96,108,134,146,151,168,188,189,211,220,221,236,257,272,278,300,347,380,405,461,487,505,508,516,531,549,550,553,567,568,599,604,613,671,684,687,727,772,778,822,832,840,868,873,887,916,918,941,948,968,992 +0425_00161 15,20,24,39,58,75,77,83,89,94,95,110,120,134,153,180,207,216,220,231,235,251,254,260,298,299,318,319,324,340,347,390,391,441,452,464,477,480,502,508,511,512,525,540,541,577,626,680,727,762,766,767,779,783,802,814,819,821,863,899,904,915,923,928,936,937,948,953,957,964,968,979,994,1008 +0425_00162 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0425_00163 20,26,50,63,67,68,89,94,96,134,183,207,232,245,248,266,273,289,317,405,409,417,429,433,446,447,456,476,487,494,499,506,508,515,516,536,538,548,550,577,578,579,613,625,626,662,727,747,760,802,858,863,901,928,935,948,955,968,1012 +0425_00164 20,26,50,68,74,94,134,153,198,207,219,245,248,266,270,273,275,289,317,393,405,409,417,433,447,453,456,499,506,508,515,516,548,565,578,579,580,625,626,662,664,727,747,776,802,811,880,913,928,948,955,968,994,1021 +0425_00165 17,20,26,35,50,68,83,108,134,151,207,220,221,245,248,273,298,300,317,347,366,405,409,417,433,499,506,508,515,542,548,549,550,579,625,652,654,662,686,727,802,812,840,867,871,948,955,968,970,984 +0425_00166 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0425_00167 15,20,28,30,44,45,51,57,62,79,89,94,96,111,117,123,134,141,143,145,153,164,178,198,199,207,210,230,237,241,242,270,282,294,314,332,347,354,362,379,381,383,415,418,421,473,475,477,487,497,508,524,530,550,571,588,592,612,623,626,640,647,656,677,715,726,727,757,762,772,778,786,788,802,850,851,857,910,934,948,954,964,968,970,977,981,994,1005,1009 +0425_00168 1,12,15,26,35,54,65,67,89,94,114,128,134,139,144,146,153,180,200,226,228,235,245,289,304,322,330,332,342,353,359,405,439,442,444,451,461,494,495,508,513,515,519,521,524,544,550,555,557,559,569,573,574,581,584,603,613,616,625,626,640,641,660,670,672,723,746,763,781,830,838,847,854,855,865,884,898,948,968,994,1001,1012 +0425_00169 20,62,69,72,78,91,94,96,103,107,114,134,144,153,160,168,207,218,241,242,243,270,272,281,322,326,330,335,336,405,413,434,461,467,470,487,508,524,530,540,543,548,550,603,626,630,652,654,659,662,670,672,714,727,728,746,759,778,794,802,826,830,885,936,948,963,968,994,1016 +0425_00170 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0425_00171 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0425_00172 20,48,64,69,101,102,103,134,138,144,153,158,178,207,238,249,263,270,360,363,372,384,404,453,461,465,476,497,504,508,514,516,538,552,570,593,611,629,657,662,685,706,720,746,748,794,809,833,850,881,915,919,948,957,968,983,984,989,998,1012 +0425_00173 20,26,89,93,94,115,134,141,153,207,283,302,304,317,327,352,366,380,390,442,449,480,481,492,499,508,511,516,626,635,667,727,739,773,783,802,840,862,896,917,926,948,952,990,1007,1020 +0425_00174 20,33,56,133,134,136,146,149,172,236,278,317,321,322,405,461,464,481,487,508,516,530,531,532,550,580,585,598,605,617,659,665,717,727,749,762,777,785,797,809,907,948,960,968,987 +0425_00175 19,25,38,57,63,65,124,131,134,153,165,170,172,207,223,228,233,240,317,319,347,361,405,417,422,436,445,474,481,486,508,524,554,555,558,580,598,626,629,640,645,678,690,692,728,755,802,818,835,852,887,948,954,960,968,975 +0425_00176 5,15,20,40,82,89,92,108,122,134,140,151,153,154,171,201,207,240,252,254,263,268,347,365,433,474,481,492,505,508,516,540,544,587,597,663,686,687,688,727,740,741,762,767,776,802,878,891,896,914,948,960,968,994 +0425_00177 12,20,133,134,136,146,149,167,172,188,220,236,260,278,281,317,337,354,405,461,464,508,513,516,530,532,550,659,665,675,717,727,749,762,777,785,809,830,900,948,960,968,969,980 +0425_00178 11,20,58,86,92,129,144,146,153,196,236,277,330,423,483,508,516,555,609,626,727,733,784,850,913,920,934,946,948,977 +0425_00179 15,20,26,32,45,61,84,85,89,94,165,182,184,212,251,263,281,331,393,404,433,461,466,499,505,508,523,527,538,570,597,626,669,681,702,711,727,771,779,829,848,882,904,948,966,1009 +0425_00180 15,20,33,39,49,68,94,96,111,134,153,175,193,203,207,233,237,242,244,254,270,281,298,304,326,347,366,373,376,432,456,484,487,505,508,515,516,522,524,527,550,584,594,609,612,626,641,655,705,706,711,727,739,750,757,768,787,788,800,802,807,829,866,899,928,929,930,931,948,954,963,968,994,1005,1006,1014 +0425_00181 20,31,52,62,68,89,94,96,123,134,145,146,153,165,177,210,211,213,220,223,231,254,261,270,272,281,334,335,347,352,362,367,383,402,405,410,451,454,456,470,478,487,503,508,515,524,527,543,550,555,559,585,595,596,612,615,626,629,654,656,658,664,686,714,716,727,786,808,823,829,834,839,855,872,889,928,934,936,940,948,958,963,968,994,1002,1006,1012,1022 +0425_00182 9,20,133,134,136,146,149,172,184,220,236,260,278,317,405,418,461,464,508,515,516,530,531,532,550,598,613,659,665,717,722,727,749,762,777,785,809,844,907,910,916,948,960,968,988 +0425_00183 20,133,134,136,146,149,172,178,233,236,269,278,317,351,400,402,405,417,461,464,508,516,518,530,532,550,578,586,615,659,665,717,727,749,762,773,777,785,808,809,948,960,968 +0425_00184 47,134,189,227,245,394,405,422,479,485,498,508,587,595,607,619,662,668,927,968 +0425_00185 8,9,15,18,35,52,58,67,78,89,111,134,146,147,153,184,189,197,229,235,236,242,244,247,250,280,306,347,389,407,414,425,430,481,490,508,509,513,516,524,549,552,554,577,638,641,649,668,678,687,714,716,727,733,773,778,864,874,891,906,948,968,994 +0425_00186 20,45,92,139,146,153,236,270,272,360,416,508,516,609,626,632,633,643,727,762,775,778,940,948,960,1001 +0425_00187 9,15,20,26,32,35,61,74,80,85,89,94,103,105,106,120,139,151,153,178,185,189,190,192,194,197,207,211,218,222,235,250,254,260,263,265,266,268,274,295,301,313,324,327,341,344,345,347,379,383,396,397,411,417,436,444,455,461,467,471,478,480,486,488,499,500,507,508,514,524,525,531,540,549,553,567,572,592,622,626,644,696,697,704,719,720,727,762,771,772,780,781,782,783,787,802,805,819,828,829,836,838,845,848,855,874,879,907,911,924,928,936,942,948,959,962,964,974,981,992,1000,1003,1004,1005,1009 +0425_00188 15,20,47,89,91,94,96,107,134,155,190,207,210,221,237,244,263,326,351,352,401,402,419,429,473,487,496,508,517,527,538,550,555,581,615,616,626,630,725,727,769,772,788,802,908,931,948,958,968 +0425_00189 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0425_00190 20,66,68,74,76,84,108,134,144,146,182,197,198,199,211,227,236,255,272,278,295,327,347,351,386,389,405,461,476,487,508,515,516,531,541,549,550,553,580,585,599,605,613,633,634,647,670,686,721,725,727,772,774,778,805,822,850,939,948,968,992,1017 +0425_00191 4,13,20,21,39,61,101,134,140,144,153,193,198,200,248,278,307,347,349,354,374,405,408,461,487,508,513,516,539,549,550,559,601,614,651,689,705,727,737,773,778,781,794,874,892,898,948,962,968,977,980,988,994 +0425_00192 13,20,28,49,50,65,74,84,108,134,146,151,178,189,202,206,220,236,257,272,277,278,300,347,400,405,446,452,461,472,508,516,525,531,549,553,567,570,613,671,684,687,701,710,727,762,772,773,778,822,840,845,916,941,948,968,992 +0425_00193 10,96,134,146,254,257,326,336,345,405,487,524,550,563,596,612,626,677,766,796,872,928,968,1006,1008 +0425_00194 20,29,37,62,68,134,144,153,283,298,330,332,353,402,472,497,508,510,515,530,550,563,626,640,660,676,713,727,778,799,826,840,901,947,948,955,968,994 +0425_00195 96,108,134,139,144,145,146,185,236,237,264,272,381,421,487,508,516,530,550,667,670,737,752,763,809,875,948,968 +0425_00196 15,20,23,26,58,60,68,82,94,115,122,128,129,134,136,169,194,210,220,222,228,230,367,408,422,437,456,473,484,499,508,515,550,610,626,635,639,646,681,727,826,863,874,897,947,948,968,1008 +0425_00197 20,84,89,96,134,234,254,268,317,341,481,487,508,524,542,550,575,604,612,626,666,677,727,733,815,833,897,906,908,936,951,968,972,1006 +0425_00198 20,26,49,50,52,68,94,134,153,207,219,245,248,266,270,273,275,288,289,317,347,391,393,405,409,417,433,447,453,456,499,506,508,515,516,548,549,578,579,580,607,622,625,626,662,664,725,727,747,753,802,913,928,942,948,955,968,1021 +0425_00199 20,65,68,93,115,134,144,153,231,250,284,308,310,343,347,395,405,450,479,504,505,508,524,544,556,587,593,599,606,615,640,659,663,666,670,713,727,749,785,856,859,915,919,948,967,977,994,1010,1017 +0425_00200 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0425_00201 1,20,31,68,77,96,134,181,211,220,230,260,283,295,347,353,372,390,456,487,505,508,549,550,555,626,635,640,666,675,727,778,812,897,948,968,972,980,1011 +0425_00202 20,39,78,96,119,134,139,145,186,202,220,227,255,278,282,308,374,377,381,390,421,432,452,461,487,508,516,530,550,635,642,659,711,717,727,948,968 +0425_00203 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0425_00204 20,53,61,63,114,134,144,153,220,245,270,281,282,297,306,336,337,374,389,420,458,508,514,515,516,528,550,565,635,670,686,727,748,776,777,783,803,810,814,828,849,874,878,897,912,938,948,968,977,994 +0425_00205 15,89,134,212,234,245,442,473,475,505,506,508,636,662,692,716,723,729,809,836,968,1018 +0425_00206 4,20,22,61,63,68,114,134,144,177,211,220,282,306,330,336,337,342,347,374,389,408,420,458,487,488,508,515,516,549,550,619,658,670,686,700,705,727,777,778,781,783,797,814,828,874,878,888,890,897,912,937,938,948,968,977 +0425_00207 9,15,20,26,45,54,62,79,80,85,89,94,98,104,134,149,153,193,199,209,240,243,244,267,270,282,283,306,334,353,412,456,461,492,499,508,515,573,589,601,612,626,640,715,727,746,767,772,778,784,786,797,817,826,829,872,941,948,963,968,977,994,1009,1013,1022 +0425_00208 1,15,20,26,29,33,68,89,90,134,137,158,214,222,237,245,251,266,276,311,315,325,327,332,336,350,356,377,388,400,451,467,492,493,499,508,515,550,566,567,626,640,676,716,733,760,769,772,830,879,908,936,942,947,948,964,968,1008,1011,1022 +0425_00209 20,52,92,134,143,146,153,157,236,261,347,408,413,418,487,508,509,523,525,526,549,550,609,626,642,653,655,670,713,719,727,746,776,781,800,818,844,854,897,922,945,948,968,976,994 +0425_00210 14,20,35,55,61,167,207,243,259,311,347,451,472,484,494,508,516,536,539,548,570,645,727,754,762,787,802,837,838,948,957,970,998 +0425_00211 96,99,134,145,146,156,172,203,220,226,236,242,249,255,301,335,354,405,407,421,461,472,479,481,487,508,532,535,550,558,601,681,710,864,874,893,930,936,948,958,968,976,980,987,992,1009 +0425_00212 15,20,35,50,57,62,89,123,134,144,153,208,212,214,221,231,235,237,244,252,283,295,310,353,471,482,515,530,550,553,556,560,595,624,626,634,640,660,755,762,769,772,778,795,799,818,826,827,863,908,936,948,964,968,977,994,999,1000 +0425_00213 18,20,46,62,92,96,106,114,134,141,144,145,153,199,203,207,223,230,235,236,240,242,243,270,280,281,286,300,308,322,325,335,336,347,369,390,392,400,405,421,444,482,487,508,510,516,526,549,550,554,558,571,579,580,585,588,592,599,605,625,626,652,662,670,679,704,727,737,739,764,775,874,905,917,923,936,948,954,963,968,970,976,977,989,996,1015,1018 +0425_00214 20,44,58,78,96,97,134,139,145,146,153,185,207,270,278,332,347,381,421,448,477,487,497,508,516,530,550,659,673,723,727,750,759,802,827,848,908,917,948,968,970,994 +0425_00215 20,94,96,128,134,145,148,207,256,264,338,388,392,421,440,458,487,508,550,626,628,638,654,670,719,727,737,802,863,884,948,968 +0425_00216 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0425_00217 3,8,15,20,68,89,134,138,146,160,172,191,197,209,213,214,225,236,237,245,248,276,298,302,304,331,346,355,417,453,508,515,532,550,657,709,727,745,757,813,819,828,836,857,932,948,968,989,1006,1008,1012,1022 +0425_00218 4,20,86,96,114,126,134,141,145,207,215,246,248,249,253,322,335,345,347,421,467,487,497,502,508,515,516,521,523,549,550,596,605,643,665,705,709,715,727,778,802,806,816,868,892,936,948,968,970,987,1006,1010 +0425_00219 20,134,136,207,278,341,350,472,481,508,516,530,548,550,574,598,647,659,720,727,779,802,843,870,912,926,948,968,986 +0425_00220 15,20,34,51,55,62,71,91,96,99,107,129,134,136,142,146,153,173,190,197,236,251,260,271,295,296,305,319,322,347,418,420,422,425,430,433,440,442,459,461,495,508,515,516,524,530,545,550,555,571,585,597,635,654,668,670,673,727,748,778,786,787,800,802,809,812,826,832,844,863,897,929,948,968,984,987,994,1011 +0425_00221 26,38,96,97,101,109,134,139,145,156,161,205,227,236,245,256,260,267,347,348,381,403,421,461,466,467,481,487,494,499,508,511,516,521,524,530,540,550,575,644,693,707,757,794,812,871,883,948,963,966,968,970,1008,1015 +0425_00222 15,20,24,49,62,63,68,72,89,96,99,114,120,126,130,134,136,145,146,153,162,172,201,207,223,227,230,236,256,270,298,319,322,347,369,372,388,390,400,421,429,433,461,477,481,487,495,508,510,516,532,538,550,551,556,558,562,566,575,588,599,617,626,668,670,700,704,711,716,727,739,762,771,772,781,782,801,802,830,862,887,905,917,923,948,968,970,989,1008 +0425_00223 20,26,39,62,70,87,90,91,96,97,112,114,128,134,137,144,145,153,204,206,207,220,223,230,241,270,310,316,322,338,346,347,355,372,382,386,387,389,390,395,400,405,421,430,469,487,497,505,508,510,516,540,543,544,550,558,559,577,588,598,599,615,626,649,656,670,704,710,725,727,731,733,739,747,751,759,772,773,779,798,800,802,812,873,883,917,923,943,948,953,968,970,983,989,1011,1023 +0425_00224 1,15,26,57,65,77,89,104,134,158,184,214,222,237,245,292,315,325,336,350,353,369,400,409,419,492,499,508,515,566,567,586,593,626,640,642,666,703,716,726,733,757,772,782,783,828,830,890,908,948,951,968,1013,1014,1022 +0425_00225 3,6,10,15,20,25,26,45,51,58,89,99,101,134,135,139,146,148,197,211,219,222,225,245,246,259,283,288,289,300,310,337,347,349,351,357,369,387,399,401,405,418,436,461,492,496,499,508,513,517,532,534,540,549,578,603,713,727,737,772,819,822,829,870,930,946,948,949,963,968,969,1014,1015,1018,1022 +0425_00226 5,15,20,40,89,92,94,108,122,134,140,153,154,171,183,201,207,240,252,254,263,268,347,456,474,481,492,498,508,516,540,587,597,626,686,687,727,740,762,767,802,856,891,896,948,960,968,994,1009 +0425_00227 20,35,72,73,77,90,93,94,97,107,110,126,134,141,153,179,207,222,225,231,241,251,257,259,261,270,281,310,311,322,341,424,427,436,441,449,458,463,467,480,481,498,504,508,511,516,540,550,558,602,609,620,626,635,637,640,642,656,657,659,673,676,698,704,717,727,733,739,756,778,802,819,833,842,851,864,913,915,917,925,935,947,948,952,968,970,989,1017 +0425_00228 20,25,101,117,124,133,134,136,146,149,172,230,236,242,254,257,278,317,347,351,405,448,461,464,470,476,508,515,516,530,532,549,550,610,613,659,665,666,671,686,717,727,733,749,762,777,778,785,809,916,948,960,968,992,1004 +0425_00229 15,20,45,47,54,55,58,62,79,89,115,134,153,172,220,270,272,282,283,314,345,353,410,440,443,454,456,515,542,568,601,626,640,715,737,746,762,767,772,778,782,786,800,826,931,939,941,948,968,977,994,1007,1013,1014,1021,1022 +0425_00230 15,26,45,54,62,77,79,80,85,89,104,134,149,152,153,193,199,209,241,244,267,270,282,283,314,326,334,353,412,420,456,461,492,499,507,515,570,573,601,626,640,715,730,746,767,772,778,784,786,797,826,872,916,941,948,963,968,977,994,1002,1013,1022 +0425_00231 52,62,134,188,317,405,422,479,488,503,517,544,567,645,662,725,738,778,784,787,820,950,968,984,1023 +0425_00232 52,78,96,134,155,196,201,322,323,425,450,487,503,506,550,600,662,762,771,773,786,797,820,834,846,968,985 +0425_00233 108,134,136,144,146,185,220,236,237,343,372,508,516,522,530,542,550,667,670,686,737,752,763,809,875,910,933,948,968 +0425_00234 4,20,69,95,124,134,141,148,153,158,201,226,257,304,347,353,362,487,508,515,517,549,550,551,557,578,626,640,644,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0425_00235 5,26,52,62,126,134,153,157,207,231,245,273,280,362,476,506,508,518,519,559,593,604,639,642,662,697,710,802,820,856,888,933,948,994 +0425_00236 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0425_00237 33,53,68,75,80,134,162,193,207,210,216,259,284,376,399,405,407,493,516,520,531,535,580,587,613,615,662,670,802,817,848,862,900,910,913,915,925,948,953,1015 +0425_00238 20,44,93,96,134,142,278,300,329,347,390,414,446,462,467,482,487,508,516,530,541,549,550,560,689,698,722,727,789,820,948,968,970 +0425_00239 14,20,29,102,114,134,137,138,144,153,158,170,207,238,262,270,272,286,292,353,360,373,404,451,453,461,465,497,508,516,552,570,581,582,621,629,650,657,670,685,706,707,713,748,769,837,847,850,867,881,930,948,968,980,983,989,998,1012 +0425_00240 20,32,34,81,194,223,256,266,300,347,367,487,508,509,549,564,631,692,709,727,732,762,820,850,898,948,951,954,980 +0425_00241 20,22,127,134,138,153,182,220,228,238,262,278,284,288,290,319,331,366,367,466,480,487,502,508,516,550,649,727,772,781,816,833,851,911,948,968,982,994 +0425_00242 5,15,26,60,75,85,89,118,134,148,220,222,245,251,285,288,327,338,355,375,385,414,430,454,469,492,499,508,513,527,540,542,548,566,603,609,616,618,626,676,698,728,763,765,769,772,851,913,936,946,948,949,954,968,996,1001,1022 +0425_00243 15,20,22,26,40,58,61,89,94,106,107,110,129,148,153,163,183,196,197,207,222,250,254,258,260,261,292,300,307,318,331,345,353,361,365,373,376,390,396,408,426,427,460,461,485,488,491,499,500,508,514,534,537,538,551,554,555,559,574,587,593,613,626,634,636,663,668,672,682,683,685,704,715,717,722,727,750,754,768,771,772,783,802,808,812,815,829,835,843,855,864,880,889,892,895,931,936,948,958,964,968,974,978,981,986,994,1005,1014,1023 +0425_00244 15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0425_00245 20,33,62,64,91,94,129,134,153,169,178,204,265,270,276,281,395,397,400,405,417,434,441,451,456,459,481,485,507,508,517,522,524,534,544,550,552,555,578,626,635,658,706,719,721,727,733,749,754,773,778,786,796,806,826,850,855,874,876,889,897,909,940,947,948,955,958,968,978,985,994 +0425_00246 1,15,20,64,69,94,96,134,144,153,154,160,203,206,215,255,260,261,270,272,281,286,309,334,344,382,422,432,439,461,480,487,498,508,515,522,542,543,550,554,569,590,600,626,640,654,655,670,702,714,727,742,763,842,844,847,850,851,902,948,968,981,997,1003,1012 +0425_00247 15,20,43,62,89,94,96,98,107,134,145,153,173,207,210,223,229,230,236,251,270,310,347,364,374,385,421,454,458,461,487,496,508,516,550,558,560,588,602,615,626,673,727,739,772,789,802,842,884,948,968,989 +0425_00248 20,55,58,97,128,129,153,245,259,270,347,399,410,420,450,492,508,516,517,541,549,596,637,727,772,791,800,835,837,838,902,909,948,954,994,1017 +0425_00249 2,20,58,113,139,153,154,157,207,256,304,347,411,447,486,487,489,494,497,502,508,516,530,549,568,574,596,652,727,737,762,765,775,802,820,850,851,877,948,954,994,995 +0425_00250 20,39,49,77,94,134,153,163,165,199,207,344,465,480,481,508,511,527,547,598,626,727,755,802,849,948 +0425_00251 4,18,20,39,52,91,97,134,141,142,144,151,153,159,170,183,207,221,226,241,255,270,280,281,304,325,341,343,345,347,360,364,368,384,390,391,430,433,439,442,481,493,508,513,515,516,549,550,554,562,565,568,569,600,608,626,695,704,705,706,709,717,727,733,738,754,764,778,800,802,816,871,888,908,917,933,944,948,968,977,985,988,989 +0425_00252 13,20,52,92,97,134,146,153,164,182,207,220,236,243,261,292,338,341,347,367,402,413,480,487,508,523,546,549,550,555,597,609,626,656,670,710,713,719,727,745,776,781,802,818,839,844,854,898,945,948,949,968,973,976,983,994 +0425_00253 14,20,52,58,92,97,134,146,153,207,220,236,263,292,338,342,347,400,413,416,431,457,465,508,549,597,605,609,626,649,670,710,727,745,763,773,790,795,802,818,839,844,854,883,948,949,968,983 +0425_00254 3,7,15,17,18,20,26,32,33,35,44,45,53,89,94,95,114,116,134,140,144,164,166,170,173,186,187,191,198,199,215,217,233,242,243,244,245,248,258,260,265,272,287,289,301,317,318,329,331,339,345,347,384,392,407,435,453,456,458,461,477,481,485,500,505,508,511,519,534,540,557,573,626,627,633,644,651,677,687,707,711,713,719,723,727,729,737,741,746,748,762,772,777,780,797,800,818,819,828,829,836,844,845,855,898,910,912,934,936,945,948,963,964,968,974,979,987,1005 +0425_00255 15,20,26,64,69,76,89,94,99,107,118,141,153,154,207,213,237,242,274,275,283,342,347,348,354,363,413,441,481,499,506,508,516,528,541,588,626,632,633,635,658,692,712,719,727,746,754,757,769,778,803,819,842,850,913,915,923,948,1018 +0425_00256 2,15,23,24,25,26,30,35,55,62,69,89,92,93,120,134,136,163,164,176,179,184,198,207,215,219,220,230,236,238,239,245,250,254,260,265,266,273,274,285,294,297,301,313,318,327,341,347,353,355,376,382,391,416,425,438,458,461,466,467,473,474,477,485,492,503,508,521,534,548,549,552,562,563,569,574,583,601,604,626,631,651,655,673,682,697,704,709,719,732,756,761,766,767,782,786,795,802,813,819,825,829,830,834,837,840,848,855,861,869,873,883,884,885,887,897,906,916,917,918,924,933,934,936,945,948,964,968,973,974,978,979 +0425_00257 10,15,26,35,47,52,71,89,105,130,134,143,144,153,168,170,171,185,189,196,201,206,233,239,244,245,251,256,259,260,265,280,282,286,288,298,313,341,342,347,350,352,382,415,425,430,435,437,461,466,467,488,499,508,523,524,526,530,533,534,538,545,549,580,584,594,618,626,639,651,656,658,670,679,689,696,704,711,713,717,719,744,763,771,776,780,799,812,819,821,852,853,855,863,867,869,883,885,894,895,903,906,916,925,936,937,938,947,948,961,964,970,974,981,987,990,994,1015 +0425_00258 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0425_00259 15,62,80,81,87,110,116,119,132,134,153,195,208,220,245,259,272,385,393,398,399,405,426,439,487,508,524,539,550,568,571,585,618,623,624,625,628,642,662,676,725,794,805,806,825,829,843,850,926,948,968 +0425_00260 15,20,22,40,61,63,64,68,83,114,127,134,143,144,180,181,220,237,282,298,303,306,330,336,337,347,374,385,389,404,420,422,458,461,488,508,515,516,550,576,596,609,670,686,700,718,727,777,783,814,828,874,878,890,897,912,914,937,938,948,968,977,1012,1022,1024 +0425_00261 26,32,75,96,101,111,134,139,145,169,245,246,348,353,381,405,409,417,421,442,479,487,494,499,508,516,522,524,530,540,548,550,629,641,684,746,757,759,807,889,915,948,964,967,968,970,1015 +0425_00262 1,8,20,31,55,68,96,101,129,134,153,211,219,220,259,260,287,297,315,334,335,336,347,359,367,368,479,482,487,508,515,516,517,542,549,550,570,600,621,637,641,670,686,694,696,705,710,719,725,727,767,779,800,802,857,889,945,948,955,968,993,998 +0425_00263 9,20,49,90,97,98,134,207,220,241,300,330,343,347,350,354,469,490,497,502,508,516,522,540,542,550,559,580,593,596,647,656,686,715,727,739,802,850,909,917,922,948,962,968,970 +0425_00264 20,23,26,55,63,66,68,74,84,90,108,134,136,144,146,182,197,199,236,238,272,278,298,342,347,351,389,398,405,446,461,476,508,515,516,530,531,549,550,553,565,599,613,634,660,670,686,721,727,772,778,792,811,822,841,850,873,918,948,951,966,968,992 +0425_00265 15,20,44,50,89,94,134,139,165,216,245,254,281,289,364,508,540,586,626,660,669,677,727,772,790,823,863,1014 +0425_00266 20,52,94,134,153,208,261,347,408,426,482,487,508,509,523,525,549,550,626,642,654,655,670,713,719,727,776,781,884,897,903,922,945,948,968,976,994,1000 +0425_00267 10,13,20,52,94,97,134,153,164,182,199,207,220,243,261,292,338,347,367,455,487,508,523,546,549,550,555,597,626,638,654,670,713,719,727,745,776,781,802,811,839,884,898,945,948,949,968,976,994 +0425_00268 20,92,96,128,134,145,146,148,153,207,236,327,338,388,413,421,440,444,487,502,508,550,609,626,628,670,710,727,737,802,818,844,854,863,897,948,968,983 +0425_00269 8,20,89,94,153,170,199,347,350,363,392,425,435,461,505,508,562,626,635,677,719,727,734,761,790,794,872,936,948,974,994,995,1002,1006 +0425_00270 2,20,62,94,96,107,109,134,145,153,187,207,225,231,260,283,347,351,399,421,435,487,494,508,532,550,556,575,626,662,687,727,751,755,778,781,826,845,884,948,968,979,994,1015 +0425_00271 8,20,57,61,96,118,134,145,150,194,213,217,220,233,241,247,272,278,288,318,326,352,359,374,391,395,397,405,423,425,454,487,496,508,516,524,550,578,595,610,626,640,641,654,680,686,714,727,773,801,816,829,832,889,920,948,968,1019 +0425_00272 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0425_00273 20,31,38,68,81,94,96,106,134,181,185,211,214,241,251,330,331,337,347,356,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,618,621,626,686,705,719,727,728,733,779,793,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0425_00274 4,15,20,25,29,68,89,117,134,138,146,153,154,176,194,217,236,237,265,270,280,297,305,347,374,446,447,459,481,490,500,508,515,516,525,549,563,603,617,622,633,691,699,705,720,727,744,756,767,772,778,783,793,857,873,887,902,944,948,968,983,994,1000,1004,1010,1017,1023 +0425_00275 4,9,15,20,89,95,138,148,153,160,169,213,221,223,227,259,270,272,298,319,411,453,461,508,516,570,652,655,657,711,772,812,834,945,948,989,998,1004 +0425_00276 14,20,52,58,63,94,97,134,153,207,220,263,292,338,342,347,400,402,416,457,508,549,597,605,614,626,638,649,654,670,719,727,735,745,773,802,839,883,884,912,948,949,968,983 +0425_00277 13,20,92,134,144,146,153,178,182,206,220,236,261,314,367,405,413,418,420,472,480,485,487,508,524,550,587,609,626,632,642,657,670,688,705,727,759,781,800,813,818,844,854,890,898,940,948,961,968 +0425_00278 13,20,52,92,126,134,139,146,153,182,206,220,236,261,265,280,288,347,367,413,418,430,455,466,480,487,508,549,550,609,626,642,670,727,781,800,818,844,854,890,898,946,948,968,982 +0425_00279 3,13,20,52,94,126,134,139,153,175,182,206,220,235,261,280,347,360,367,426,430,455,480,487,508,549,550,626,642,654,670,719,727,781,844,884,890,898,939,948,968 +0425_00280 14,28,33,53,58,103,110,134,144,153,193,207,230,245,257,321,352,363,405,411,427,506,508,516,552,615,662,668,669,671,722,748,802,830,948,965,994,1018 +0425_00281 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0425_00282 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0425_00283 88,134,219,239,245,249,288,317,405,422,479,507,508,529,582,591,622,628,662,778,787,803,836,866,871,917,950,968,975 +0425_00284 14,28,36,58,103,110,134,144,153,188,230,240,245,257,321,359,363,405,411,427,506,508,516,615,662,668,748,821,830,881,948,965,994 +0425_00285 15,31,96,134,145,201,203,223,226,237,242,245,249,306,314,316,327,335,339,343,344,368,376,388,405,421,425,437,442,473,481,487,495,506,508,520,536,550,559,580,662,669,681,706,710,731,773,808,831,863,864,924,966,968,983,987,998,1022 +0425_00286 6,20,48,64,67,129,132,134,141,153,163,168,171,175,196,199,202,207,233,241,242,245,292,294,309,317,319,321,326,337,347,361,392,405,406,422,481,506,508,510,524,544,554,570,575,576,582,601,606,615,626,631,651,662,690,694,727,737,790,801,802,860,863,868,887,889,927,932,940,948,968 +0425_00287 29,90,96,134,145,203,220,235,245,249,272,335,346,360,380,405,421,487,493,506,508,516,550,582,616,630,662,710,718,824,864,925,948,968,987 +0425_00288 10,21,28,62,117,134,141,144,153,220,245,293,297,315,327,405,417,453,459,500,506,508,582,615,629,662,670,689,706,738,778,780,786,813,826,948,965,994 +0425_00289 14,28,58,62,66,78,112,132,134,141,153,188,220,230,240,245,293,297,315,363,405,417,459,506,508,516,582,615,629,662,689,706,778,786,821,826,948,965,977,994 +0425_00290 33,53,110,134,144,193,207,216,230,245,261,321,352,353,405,411,427,506,508,516,552,614,615,662,668,669,671,748,796,802,874,948,1018 +0425_00291 14,28,58,103,110,134,144,153,230,245,257,321,329,363,384,405,411,427,450,506,508,516,615,662,668,703,714,739,748,830,908,948,961,965,977,991,994 +0425_00292 75,100,101,134,135,144,166,181,192,245,331,388,405,468,493,504,506,508,582,662,762,814,831,863,915,948,956,977,987,1015 +0425_00293 7,33,53,64,110,134,193,205,207,216,245,261,321,405,411,481,506,508,516,611,614,615,662,668,738,796,802,858,887,889,948,992 +0425_00294 7,64,110,134,144,245,321,405,411,481,506,508,516,551,610,611,615,626,662,668,714,738,739,818,856,887,889,948,961,977,992 +0425_00295 4,20,51,56,96,105,134,144,145,153,197,198,208,211,228,241,260,291,294,296,298,303,347,353,387,411,418,421,430,432,483,487,515,523,533,549,550,582,593,618,626,635,640,655,670,697,699,705,709,773,778,800,812,832,844,847,889,897,898,899,948,968,972,993,994 +0425_00296 15,26,33,56,60,85,88,89,99,134,148,206,214,222,240,245,283,285,288,308,357,360,386,399,454,492,499,508,513,566,592,603,618,626,630,676,696,698,733,763,769,772,782,809,848,898,916,928,936,948,954,964,968,996,1022 +0425_00297 15,26,33,56,75,88,89,104,134,148,206,214,222,245,283,288,292,308,357,360,386,399,400,444,492,499,508,513,566,586,592,626,630,666,696,703,733,757,772,782,783,809,848,898,916,921,928,936,948,951,964,968,976,1022 +0425_00298 15,26,40,77,89,104,113,134,153,158,214,222,224,226,237,245,288,292,315,328,336,353,380,400,423,440,492,499,508,544,550,566,567,586,626,640,652,666,703,716,726,757,769,772,782,783,846,908,924,932,948,951,968,1007,1014,1022 +0425_00299 20,60,62,73,94,96,134,141,144,145,153,207,210,230,238,251,265,270,300,347,360,401,417,421,427,466,479,480,487,508,511,516,517,549,550,558,588,626,670,673,695,710,718,727,739,863,870,899,916,917,948,968,977,989,999,1014,1017,1019 +0425_00300 8,15,20,26,60,75,89,94,104,134,146,159,170,198,214,222,245,254,260,285,288,292,325,347,363,381,400,414,425,435,453,461,492,499,508,562,566,586,603,606,609,626,635,651,666,676,677,692,698,703,712,719,727,746,757,772,782,783,790,804,807,822,851,872,934,936,948,949,951,952,964,974,995,1006,1016,1022 +0425_00301 10,15,26,35,47,57,71,89,134,140,143,144,153,167,171,190,244,245,256,260,265,282,320,340,341,347,352,353,392,418,425,435,438,449,453,461,467,488,496,499,501,508,516,523,526,534,538,545,549,567,580,594,603,618,621,626,651,656,672,689,707,711,719,720,752,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,998,1008,1015 +0425_00302 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 +0425_00303 14,15,26,60,89,159,222,241,244,285,288,295,320,343,375,401,414,417,453,492,499,566,605,609,626,655,656,659,664,690,692,698,718,746,762,772,802,818,851,855,936,948,949,952,964,1014,1022 diff --git a/processed_data/0425/0425_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0425/0425_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..b74700cff --- /dev/null +++ b/processed_data/0425/0425_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,304 @@ +id bits.on +0425_00001 20,94,96,134,145,169,298,421,456,487,508,523,550,626,727,897,898,947,968 +0425_00002 1,20,31,68,94,96,134,166,181,211,217,283,353,456,487,508,550,626,640,675,727,928,968 +0425_00003 44,79,93,134,138,226,242,271,304,353,417,453,474,508,515,550,626,637,640,657,697,709,792,819,937,968,989,990,1023 +0425_00004 64,134,219,359,405,481,488,578,628,662,709,887,968 +0425_00005 45,49,62,134,135,153,169,178,199,270,281,283,550,556,620,626,640,662,676,733,755,778,781,786,794,826,947,948,968,970,977,994 +0425_00006 26,96,134,145,168,209,245,269,273,308,353,416,421,473,487,506,508,523,540,550,651,662,705,809,889,899,947,968,981 +0425_00007 20,57,125,214,241,347,370,487,508,516,549,678,727,762,884,893,911,915,948,954,960,1009,1015 +0425_00008 20,69,134,146,201,233,236,249,278,280,343,405,407,425,481,493,508,516,555,595,631,670,686,727,762,773,777,780,874,948,960,965,1011 +0425_00009 35,46,75,122,127,134,144,151,153,170,207,226,227,251,271,305,326,350,353,390,403,420,459,515,516,532,544,550,605,626,640,647,677,689,714,719,746,787,822,948,968,977 +0425_00010 4,15,20,25,68,89,110,115,134,146,153,154,175,176,190,194,217,236,237,265,270,289,305,347,371,374,430,446,481,490,500,508,515,516,524,525,549,609,622,691,694,699,700,705,727,756,767,772,778,793,857,863,873,887,902,938,948,964,968,976,994,1004,1023 +0425_00011 26,49,103,120,134,153,202,207,210,223,231,245,250,273,283,473,506,508,516,559,597,624,629,662,681,802,826,930,948,981,992,994 +0425_00012 32,134,144,153,182,209,214,238,270,277,309,319,387,405,407,408,420,430,488,500,515,524,703,732,739,759,786,835,845,889,909,948,954,968,977,1009,1023 +0425_00013 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0425_00014 26,103,120,134,153,223,245,250,273,473,506,508,559,662,773,826,891,930,948,965,981,994 +0425_00015 8,19,95,96,100,130,134,155,174,207,245,272,418,432,450,478,487,503,508,524,550,603,654,660,662,710,714,716,780,786,797,802,897,948,965,968,1000 +0425_00016 20,51,62,91,134,153,158,193,260,270,281,284,296,319,322,345,347,366,418,430,480,508,516,522,550,573,589,626,658,702,727,778,800,807,812,820,826,948,968,994,999,1005 +0425_00017 14,20,38,62,94,96,109,134,145,146,153,169,188,195,236,260,347,360,364,383,389,407,421,456,458,467,468,481,487,488,489,508,511,515,516,520,550,575,588,626,649,650,727,744,751,778,826,842,860,863,871,873,874,897,938,948,968,980,994 +0425_00018 15,20,22,43,56,62,67,89,113,134,146,153,163,175,182,220,237,278,280,293,319,347,366,367,430,473,475,480,487,502,508,516,524,550,578,647,649,671,712,727,748,772,777,778,781,798,826,852,899,948,954,968,994,1008 +0425_00019 5,26,72,96,120,134,153,207,223,243,245,254,273,280,361,362,473,506,508,559,662,685,710,744,802,856,948,981,994 +0425_00020 20,48,52,67,68,72,94,96,134,153,160,168,211,241,270,272,273,281,282,322,335,336,337,347,400,405,451,456,470,487,502,505,506,508,524,540,543,548,550,596,603,615,626,652,654,658,662,672,700,714,721,725,727,746,750,755,759,781,794,800,808,855,868,872,885,889,928,936,940,948,963,968,971,994,1012,1016 +0425_00021 20,75,84,89,96,134,234,254,268,341,461,481,487,506,508,524,550,612,666,727,766,783,815,821,833,883,887,906,908,951,964,968,972,974,976,1006 +0425_00022 20,35,60,68,98,134,136,144,153,169,170,194,206,207,224,227,230,251,278,292,346,347,365,390,458,508,515,516,521,530,545,550,586,614,626,643,649,657,663,670,705,707,708,709,714,722,727,750,757,762,774,779,800,813,852,887,948,960,968,977,994,1011,1020 +0425_00023 20,24,25,42,48,57,62,68,91,96,101,102,134,146,153,155,158,183,261,270,303,305,345,347,360,374,405,430,443,477,487,494,500,508,515,516,550,553,585,605,613,616,652,670,686,695,704,725,727,768,778,800,826,844,852,903,928,948,968,970,987,994,1005,1009,1012 +0425_00024 20,115,153,186,220,248,256,339,347,366,416,442,487,508,516,549,570,727,748,769,795,820,915,948,954,957,979,983,998 +0425_00025 43,47,51,92,96,99,111,120,134,144,145,146,153,165,204,213,220,229,231,236,245,263,273,312,421,437,459,487,508,524,550,572,588,603,609,610,626,670,677,686,726,793,839,879,943,948,968,1000 +0425_00026 20,62,94,107,153,207,231,252,344,445,476,507,508,626,677,727,832,948,994 +0425_00027 8,9,15,48,58,66,75,89,103,123,134,146,147,153,229,236,242,244,250,260,306,321,336,338,371,407,414,425,481,490,508,509,511,513,516,537,552,636,714,733,746,773,797,823,874,906,948,964,968,994 +0425_00028 15,20,32,89,94,106,272,364,392,461,508,524,626,677,699,727,729,772,915,971,974 +0425_00029 6,8,15,20,21,26,41,58,62,94,131,134,149,153,189,193,212,217,263,271,272,298,407,437,442,461,480,487,506,508,524,531,537,550,559,626,627,654,662,707,719,727,776,781,811,828,859,870,872,892,911,945,948,968,969,976,994,1022 +0425_00030 20,21,81,94,96,131,134,145,153,216,246,249,335,343,381,395,421,428,443,480,487,508,530,550,563,601,626,635,665,679,727,752,897,936,968,987 +0425_00031 20,22,38,63,94,96,107,109,134,145,146,161,167,207,256,260,263,274,331,347,378,421,452,487,508,511,515,517,550,575,626,647,649,727,781,802,807,833,871,892,948,962,968 +0425_00032 17,26,115,122,134,149,153,207,226,227,239,246,253,270,279,281,310,363,390,471,515,516,522,527,550,558,620,626,640,647,669,676,715,733,787,802,819,946,947,948,968,970,989,995,1019 +0425_00033 14,23,26,28,47,81,117,122,127,134,149,153,207,216,226,227,246,253,260,270,278,279,281,302,305,347,350,353,363,390,467,471,505,508,515,516,522,527,549,550,558,582,586,626,636,640,647,666,669,715,778,787,802,811,812,850,925,948,968,973,980,989,1008,1019 +0425_00034 15,20,26,75,77,94,153,222,237,316,374,388,406,480,481,508,524,539,626,645,687,727,788,827,828,857,925,940 +0425_00035 20,91,94,101,118,134,144,153,219,220,221,226,260,305,315,335,347,359,367,430,479,492,508,515,542,550,626,670,686,705,727,772,778,783,800,802,845,857,889,899,940,948,968,977,999,1001,1012 +0425_00036 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0425_00037 1,15,20,24,47,94,96,107,134,158,180,207,237,245,263,272,309,316,350,359,378,439,487,498,508,517,524,550,564,588,598,603,611,619,626,640,647,654,683,714,716,722,727,795,802,876,948,968,973,991 +0425_00038 15,26,29,52,60,62,72,96,107,134,153,160,180,190,222,237,241,245,270,272,281,322,335,336,340,365,405,409,421,451,459,470,487,508,524,540,543,548,550,585,603,652,654,658,662,666,687,713,714,718,746,759,772,778,786,794,826,827,855,874,885,889,936,940,948,955,958,963,968,985,994,1016 +0425_00039 20,22,94,96,107,134,145,153,167,207,263,298,365,369,378,390,421,434,487,508,515,516,517,550,555,626,647,649,727,777,781,802,848,897,898,903,948,962,968,1006,1011 +0425_00040 20,31,68,94,96,134,149,154,181,182,211,220,258,278,300,330,367,410,443,446,456,467,487,508,516,523,550,560,587,626,710,727,750,774,781,797,824,913,926,928,948,968 +0425_00041 15,20,22,60,89,134,175,182,220,237,278,280,293,316,319,347,367,453,454,473,480,487,502,508,516,524,550,644,647,649,666,671,686,727,748,772,777,781,793,883,929,948,954,968,1008 +0425_00042 20,68,94,134,170,181,201,226,299,353,456,481,496,508,515,550,626,640,659,667,674,716,727,861,887,896,928,968 +0425_00043 12,20,109,115,123,126,134,152,153,229,260,270,281,347,349,405,417,421,466,505,508,515,530,549,550,577,586,600,606,651,708,711,726,727,762,778,786,812,820,909,948,952,968 +0425_00044 38,66,94,96,109,134,138,145,146,156,188,197,236,242,260,305,347,348,417,421,440,453,467,479,487,508,511,515,516,530,550,575,601,627,637,657,658,680,705,709,792,797,809,827,871,904,948,968,981,989 +0425_00045 77,121,134,153,207,270,286,350,364,390,481,522,550,620,626,640,647,676,733,782,787,849,947,968,991 +0425_00046 47,62,73,83,89,96,134,140,145,153,204,245,286,300,367,405,421,459,487,496,508,518,524,550,572,582,588,598,620,626,640,676,677,733,778,799,802,826,860,943,947,948,967,968,994,999,1008 +0425_00047 5,26,62,96,120,134,153,207,223,231,245,273,280,361,362,473,476,506,508,518,559,593,604,639,662,710,802,856,888,948,981,994 +0425_00048 26,96,120,134,138,145,153,156,186,223,245,273,275,339,353,420,421,473,487,506,508,540,550,559,662,730,731,889,948,954,968,981,994,999 +0425_00049 47,62,73,83,89,96,134,140,145,153,204,245,300,421,459,487,496,508,518,524,550,572,582,588,677,778,799,802,826,860,943,948,967,968,994,999,1008 +0425_00050 20,24,57,94,107,118,141,153,196,207,231,250,448,462,481,508,544,626,635,692,727,757,834,905,948,954 +0425_00051 51,53,86,89,100,115,134,153,155,189,209,214,245,260,270,275,281,296,325,343,347,393,401,405,418,430,433,480,506,508,550,565,572,580,591,658,662,676,705,713,720,731,771,773,774,776,780,786,798,800,812,820,836,902,948,963,968,994,1015 +0425_00052 15,20,29,33,38,68,94,96,109,134,144,145,146,154,169,175,225,236,237,260,347,373,389,407,421,454,456,458,481,487,508,511,515,524,550,565,567,575,605,626,649,650,727,744,751,804,871,873,874,897,931,938,954,968,980,1006 +0425_00053 8,20,43,62,73,96,115,134,153,182,206,207,220,233,278,336,339,360,367,373,377,446,467,487,488,508,516,550,560,599,727,748,802,899,902,908,917,948,957,968,994,998,1019 +0425_00054 20,62,74,94,129,134,136,146,153,169,172,217,236,256,289,314,429,433,443,456,508,532,550,626,635,670,727,836,844,897,916,947,948,968,970,994 +0425_00055 9,15,20,29,34,51,67,88,110,111,134,153,175,203,237,242,245,260,295,296,322,335,346,347,369,371,386,387,394,411,418,425,430,443,454,467,488,495,499,508,515,524,549,550,555,561,583,619,620,626,635,640,643,654,676,683,686,727,733,735,756,763,773,788,800,812,832,846,897,902,936,947,954,968,987,994,1011 +0425_00056 17,26,72,122,134,160,212,226,304,405,515,550,620,626,640,676,698,712,733,741,763,787,825,850,907,946,947,968 +0425_00057 15,26,89,141,207,230,319,407,421,425,472,481,519,539,582,594,802,819,948,950,955,964 +0425_00058 8,44,96,131,134,245,256,272,357,359,423,471,487,508,550,567,582,654,662,707,714,774,816,901,964,965,968,993 +0425_00059 1,20,31,68,96,134,181,211,283,341,353,432,481,487,508,550,626,640,675,727,787,846,968 +0425_00060 4,22,45,46,62,75,96,99,122,126,127,134,145,151,153,157,178,199,207,226,227,243,270,271,305,326,338,346,347,350,353,354,360,390,403,420,421,430,480,487,515,516,544,550,554,556,588,603,605,606,626,640,647,677,689,694,719,742,754,755,776,778,786,787,790,851,899,968,977,983 +0425_00061 5,26,58,62,120,125,130,134,153,207,223,231,245,273,280,361,362,365,378,473,476,506,508,518,556,557,581,604,639,662,716,802,804,850,946,948,981,994 +0425_00062 53,62,122,134,136,146,153,159,197,206,207,227,235,236,237,305,334,350,390,409,440,495,508,516,522,527,530,550,626,647,787,790,802,809,948,968,1003,1019 +0425_00063 4,15,20,68,71,89,110,115,124,134,138,146,153,154,172,175,190,236,237,268,269,270,289,347,371,374,407,430,481,500,508,515,516,520,524,532,549,550,558,609,622,691,694,700,705,709,727,757,772,778,863,874,930,938,948,964,968,976,994,1004 +0425_00064 20,24,94,107,130,134,178,197,207,263,320,350,378,400,422,434,462,485,508,517,550,552,555,588,611,612,622,626,635,647,702,727,728,773,802,897,948,968,1011 +0425_00065 20,26,134,144,168,207,287,379,405,425,436,464,488,493,500,504,508,516,520,557,570,605,670,727,773,809,863,898,930,937,948,977,998,1011 +0425_00066 17,26,35,110,115,122,134,144,153,170,207,226,227,251,310,390,459,515,516,527,532,626,640,647,676,714,787,822,946,948,968,977,995 +0425_00067 81,96,134,136,141,146,148,154,207,350,405,422,438,445,472,487,503,506,550,569,589,596,615,662,720,744,773,786,797,800,867,872,883,891,955,968 +0425_00068 20,31,68,94,96,134,186,191,211,456,487,508,548,550,626,669,697,727,799,804,805,928,968,1007 +0425_00069 62,87,101,141,153,207,225,231,283,339,481,717,778,802,826,863,948,994,1021 +0425_00070 15,53,70,95,96,101,134,146,150,153,175,236,272,354,405,414,461,470,481,487,508,538,550,614,649,654,687,714,734,773,782,817,821,825,874,968,980,1007 +0425_00071 15,20,25,26,49,72,85,87,89,97,119,134,141,148,153,211,222,233,245,255,258,280,285,315,326,351,357,371,393,399,413,467,469,499,506,508,513,517,557,560,566,580,603,610,626,704,727,736,755,766,768,772,774,819,821,822,836,866,898,936,948,950,964,968,977,1009,1019,1022 +0425_00072 15,20,25,26,36,61,85,89,129,134,139,148,153,164,222,245,255,290,294,305,315,325,326,350,358,408,413,452,476,477,499,508,513,517,523,527,566,574,592,614,626,640,681,684,727,730,766,772,784,790,801,819,822,835,843,852,855,862,898,925,926,927,934,936,948,968,1005,1009,1022 +0425_00073 1,15,26,29,39,60,68,85,89,92,116,134,171,201,222,251,257,276,285,294,315,325,398,415,467,482,494,499,515,550,557,566,591,621,626,634,640,648,676,727,733,748,769,772,811,828,830,879,908,936,939,947,948,963,964,968,979,993,1022 +0425_00074 1,5,15,26,29,31,49,60,68,78,85,87,89,92,131,134,222,251,257,276,285,315,325,370,398,415,467,499,515,550,566,608,621,626,634,640,648,653,672,676,733,748,769,772,811,830,879,892,908,936,939,945,947,948,968,1022 +0425_00075 15,26,55,65,69,85,89,130,134,148,153,182,199,222,234,245,251,260,279,305,315,316,332,333,357,358,375,388,499,508,509,513,533,559,566,585,603,609,626,657,693,749,761,772,782,801,807,855,862,881,893,914,948,950,961,964,968,983,994,1022 +0425_00076 15,20,21,25,26,36,61,85,89,117,129,134,139,148,153,164,208,216,222,245,255,290,302,305,315,326,332,358,371,401,408,409,440,452,458,477,499,508,513,566,574,584,592,614,626,648,653,681,684,713,727,751,772,782,801,804,843,852,855,862,898,926,934,943,948,968,973,1005,1022 +0425_00077 1,15,26,29,68,85,89,92,109,134,149,159,222,245,251,254,257,276,297,315,325,348,398,400,415,420,467,472,477,496,499,508,515,550,566,586,601,621,626,634,640,648,676,703,733,769,772,811,830,841,879,908,939,947,948,968,1022 +0425_00078 35,86,146,153,236,347,411,505,508,609,626,655,917,948,994 +0425_00079 5,15,25,26,28,31,49,60,85,87,89,131,134,147,222,245,260,276,278,285,302,355,370,497,499,508,540,566,578,608,609,626,644,669,705,772,774,801,819,851,852,879,887,892,897,908,936,945,948,964,969,985,1021,1022 +0425_00080 29,34,134,153,167,207,227,279,390,474,487,515,516,527,550,586,626,640,647,658,659,667,676,781,792,802,845,867,904,940,948,968,998,1007 +0425_00081 6,15,20,43,63,67,80,96,134,155,223,243,347,380,408,487,508,516,520,545,550,570,577,616,657,705,725,727,739,764,781,855,935,947,948,968,970,998,1011 +0425_00082 1,4,10,15,80,89,108,134,153,160,201,207,245,260,352,371,390,472,506,508,519,540,583,626,641,662,664,684,707,740,785,794,802,816,832,903,919,940,948,951,953,964,969,983,989 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99,134,146,172,199,236,256,260,347,407,449,479,481,487,508,532,549,550,558,564,574,636,684,687,812,820,824,874,893,898,948,954,968 +0425_00097 25,63,96,115,134,146,162,172,173,215,236,280,406,487,508,515,518,532,550,577,595,606,609,626,713,741,787,819,921,935,968 +0425_00098 15,56,79,89,91,120,134,138,210,221,228,237,242,244,245,304,305,328,401,417,453,473,508,515,581,616,626,637,640,657,713,772,784,788,799,800,819,908,940,951,968,989 +0425_00099 20,37,68,89,94,96,102,124,134,143,145,146,155,183,249,335,405,421,456,477,487,494,508,515,547,550,613,616,622,626,633,652,714,725,727,737,740,928,938,949,968,970,979,987,1012 +0425_00100 56,120,125,134,152,174,220,404,405,449,452,513,543,555,591,638,662,702,760,768,794,932,948,960,968 +0425_00101 91,134,144,153,214,300,393,481,482,526,550,620,626,633,640,676,718,733,776,862,863,947,948,963,968,977,984 +0425_00102 20,188,259,290,341,388,423,481,508,575,727,756 +0425_00103 5,9,22,26,33,41,58,90,130,134,153,199,207,245,273,357,362,373,421,431,435,506,508,524,556,557,568,581,585,662,663,666,668,684,686,728,736,802,806,831,850,909,920,930,946,948,951,984,994 +0425_00104 70,72,81,134,153,216,230,256,301,347,385,393,405,409,411,429,442,449,478,505,564,580,585,640,686,687,697,750,763,808,820,948,954,968,994 +0425_00105 20,88,94,153,326,369,480,508,530,626,666,727,752,775,778,976 +0425_00106 15,26,27,44,85,89,109,134,204,207,214,221,222,245,254,262,297,311,315,326,343,348,400,445,457,472,477,499,508,545,554,566,586,588,601,626,640,650,671,703,728,755,772,787,792,801,841,882,948,963,969,988,1019,1022 +0425_00107 102,134,144,212,214,244,328,361,364,504,515,626,640,709,791,826,831,902,920,948,968,977 +0425_00108 8,96,131,133,134,145,146,153,154,172,207,230,236,256,326,347,360,363,389,393,414,421,442,461,462,487,492,502,508,516,550,571,621,726,777,795,802,817,819,820,855,867,915,948,954,968,999 +0425_00109 39,49,96,110,134,136,139,145,153,193,207,211,232,281,363,381,421,472,487,515,516,527,530,550,593,675,714,787,802,824,872,907,915,938,948,968,971,1022 +0425_00110 3,64,96,134,141,146,148,344,350,370,405,481,487,503,506,550,575,596,615,662,677,786,797,872,887,889,968,979 +0425_00111 56,79,134,138,144,242,244,304,308,328,357,361,417,426,453,504,508,515,580,626,637,640,657,688,713,791,799,819,851,948,968,977,987,989 +0425_00112 5,15,26,31,49,60,67,85,87,89,108,112,131,134,136,222,245,260,276,285,352,370,421,443,481,499,508,525,530,540,566,608,609,626,679,681,735,772,774,801,802,805,851,879,892,930,936,945,948,969,1002,1009,1012,1022 +0425_00113 4,15,35,62,96,134,145,146,153,156,157,172,236,253,283,319,347,376,414,421,430,462,487,508,531,550,556,601,662,745,755,777,778,781,826,908,941,948,968,994 +0425_00114 20,96,126,131,134,146,163,196,217,228,233,278,376,385,388,405,425,487,508,516,550,570,596,615,679,727,772,773,793,831,846,872,929,948,968,979,985,998,1002 +0425_00115 5,15,20,53,78,89,96,120,134,138,139,145,169,190,237,260,278,351,353,381,421,444,452,473,474,487,488,492,508,516,530,541,550,597,613,648,659,727,772,923,928,948,968 +0425_00116 9,15,63,89,119,134,135,174,210,223,237,245,258,268,310,347,419,440,442,445,462,473,506,508,515,524,603,652,662,729,744,770,772,788,805,806,857,981,1012,1022 +0425_00117 20,28,74,95,98,133,134,146,162,172,201,236,300,347,461,481,482,508,516,532,533,549,550,617,647,713,716,727,770,862,879,887,948,968,970 +0425_00118 20,25,50,68,92,96,108,134,145,146,149,172,187,232,236,242,259,278,280,316,328,416,421,427,452,467,487,490,497,498,508,515,516,545,550,577,609,620,626,628,640,672,682,688,700,709,714,727,736,744,762,777,780,791,799,819,863,873,879,948,960,968,998 +0425_00119 20,38,63,94,96,109,134,145,161,169,256,260,274,347,421,436,454,456,487,508,511,515,550,575,602,619,626,727,741,781,807,826,849,871,897,898,968 +0425_00120 96,119,134,141,146,148,154,200,223,350,405,461,485,487,503,506,547,550,552,558,569,592,596,615,654,662,692,717,786,797,862,867,872,914,955,968 +0425_00121 15,20,78,96,134,139,145,177,186,209,220,249,252,255,277,278,298,348,374,381,421,443,456,461,477,487,508,516,530,550,561,589,593,630,635,659,727,773,777,890,948,968,978,998,1012 +0425_00122 8,15,20,30,48,68,78,96,134,139,145,161,186,220,255,278,298,374,381,421,425,461,479,487,508,513,516,530,533,550,561,635,651,659,714,727,728,745,800,856,863,927,948,968,1012 +0425_00123 20,22,58,128,134,153,182,213,220,278,288,319,366,367,420,480,487,491,502,508,516,550,562,618,649,659,727,772,781,911,914,948,968,994 +0425_00124 20,26,74,78,96,109,134,139,145,153,184,230,260,278,321,347,381,410,421,434,466,487,505,508,515,516,520,530,544,550,611,659,663,673,723,727,781,821,830,840,866,905,913,915,926,948,961,968,970,994 +0425_00125 20,26,74,109,134,181,184,220,230,260,278,296,300,347,373,381,410,466,482,487,508,515,516,520,522,530,541,549,550,611,626,673,686,727,771,781,802,821,840,905,911,915,926,948,961,968,970,999,1022 +0425_00126 5,15,26,38,85,87,89,131,134,148,151,174,191,195,234,239,245,247,252,254,286,344,357,368,442,452,454,499,508,513,532,574,607,626,634,635,690,721,756,766,772,793,794,804,805,810,822,851,869,906,936,945,948,968,985,1022 +0425_00127 20,37,51,91,96,134,140,141,146,148,197,230,278,300,347,350,405,407,482,487,503,506,508,516,549,550,596,609,615,626,662,696,727,786,797,842,872,875,948,968,970 +0425_00128 15,85,89,134,144,214,222,260,280,298,328,347,373,385,393,396,405,414,422,426,486,505,532,549,550,613,626,651,666,673,702,772,778,812,863,948,953,968,980,996,1013 +0425_00129 20,62,94,134,151,153,154,194,220,240,256,295,310,322,340,347,381,405,411,429,437,442,449,471,505,508,513,524,544,564,611,615,629,642,645,663,666,710,722,727,756,763,764,782,808,820,821,823,878,889,897,898,948,954,964,968,984,994,1008 +0425_00130 20,24,38,49,83,98,134,136,144,161,217,260,267,278,344,347,505,508,516,530,536,549,550,599,659,666,670,727,778,802,812,871,873,883,948,968,980,1011 +0425_00131 15,26,34,38,85,89,134,148,153,160,195,196,197,204,222,239,240,245,247,252,254,267,303,340,344,357,368,380,388,403,430,442,452,454,508,513,559,574,596,626,634,635,690,721,756,766,772,794,801,804,822,851,855,876,906,909,913,945,948,954,968,985,994,999,1009,1022 +0425_00132 18,20,26,42,43,84,89,96,106,134,198,228,243,347,380,408,460,461,487,494,499,503,508,516,520,539,550,570,573,626,657,680,705,724,727,728,735,781,782,871,908,912,936,948,963,968,970,998,1011 +0425_00133 20,26,96,134,144,146,196,217,264,271,372,376,379,405,425,487,488,508,516,520,550,570,593,596,615,621,651,670,727,773,846,872,930,948,968,975,979,985,998,1011 +0425_00134 30,62,134,138,146,153,172,192,193,236,261,264,304,331,407,417,421,424,451,453,476,481,508,515,558,644,657,660,670,819,844,874,893,916,922,948,968,989,994 +0425_00135 75,134,135,144,245,257,274,284,352,391,405,435,468,479,481,493,504,508,524,548,559,570,603,765,768,830,863,864,915,948,977,997,1015 +0425_00136 13,21,31,41,53,57,64,75,126,127,134,153,207,220,260,297,347,367,383,388,404,411,433,446,449,465,505,508,515,516,518,544,550,570,726,763,802,812,892,898,915,941,948,954,968,994,1002,1015 +0425_00137 5,15,20,26,60,71,76,85,87,89,94,153,163,182,207,215,222,223,231,252,261,285,290,316,398,401,413,424,426,437,459,480,491,497,499,503,508,530,551,580,594,602,609,614,626,668,690,697,710,726,727,738,752,758,759,772,801,802,818,837,850,860,909,936,948,964,976 +0425_00138 20,31,53,68,87,96,102,127,134,137,151,153,165,181,188,207,211,241,243,256,294,295,297,347,395,408,411,449,461,487,494,497,502,505,508,516,524,550,596,627,639,705,727,763,771,802,820,826,916,948,954,968,994,1018 +0425_00139 4,25,27,38,56,105,134,146,158,172,187,220,223,226,236,248,259,280,347,353,365,367,377,392,406,408,412,446,452,475,503,508,515,529,532,545,549,550,566,571,577,606,609,616,626,640,648,662,666,700,705,713,740,744,764,770,772,778,819,873,948,949,968,992,995 +0425_00140 15,20,24,26,45,59,84,89,94,108,116,117,128,134,141,192,207,245,270,311,350,351,364,371,396,409,481,492,499,508,516,524,544,547,550,593,603,614,618,620,624,626,636,640,647,676,677,727,733,766,773,792,833,851,864,904,917,947,948,968,1007 +0425_00141 15,42,68,82,85,89,127,134,139,153,182,185,210,213,220,245,255,259,301,311,326,340,379,442,461,477,506,508,524,533,561,569,575,582,588,626,638,649,657,662,671,675,705,773,806,817,824,863,874,895,901,910,918,948,964,968,974,980 +0425_00142 13,21,53,57,64,111,127,134,146,148,153,197,207,220,236,260,276,297,321,347,367,383,407,411,433,446,449,465,505,508,515,516,544,550,570,678,726,742,745,763,802,812,873,948,954,968,994,995,1002 +0425_00143 8,9,134,180,215,220,245,409,461,473,502,508,513,563,662,714,733,746,766,789,830,922,948,965,967,968 +0425_00144 20,24,49,98,134,136,144,207,217,278,350,508,516,530,536,550,599,647,659,670,720,727,779,802,843,870,883,912,926,948,968,1011 +0425_00145 30,69,77,134,138,153,207,220,254,256,297,303,304,347,363,386,399,411,417,449,453,479,493,494,505,508,515,516,542,550,627,639,657,679,686,687,705,744,763,765,771,802,819,820,859,889,916,948,950,954,961,968,989,994 +0425_00146 20,85,89,95,99,134,153,155,159,212,218,232,275,288,310,311,319,326,341,351,368,385,387,405,422,432,442,461,470,481,508,524,626,710,719,727,743,766,773,894,901,936,968,974 +0425_00147 1,45,96,134,141,146,148,220,247,310,338,343,350,365,374,388,405,469,486,487,503,506,513,524,550,596,615,654,662,731,786,797,808,855,872,907,927,948,968,971,1001 +0425_00148 96,134,138,145,167,199,203,220,245,249,257,307,335,360,386,405,421,481,487,493,508,513,524,541,550,559,603,689,710,728,730,764,839,864,913,948,968,987 +0425_00149 4,14,28,58,59,62,108,134,142,144,146,153,220,235,236,290,319,341,347,352,359,365,366,389,405,435,459,468,490,508,510,516,531,603,613,670,708,735,746,755,767,778,786,826,849,931,948,969,994,1000,1017 +0425_00150 1,15,35,39,40,69,89,134,144,153,163,169,170,180,186,187,194,206,207,224,227,251,292,326,331,346,347,370,390,394,408,412,413,432,442,487,498,516,540,550,564,573,624,626,649,705,708,714,779,781,800,813,898,908,936,948,968,977 +0425_00151 20,61,96,134,136,144,145,174,214,220,278,343,351,372,421,455,483,487,494,506,508,516,522,530,542,550,554,579,659,678,686,727,772,784,808,842,875,907,938,948,968,977,982 +0425_00152 20,78,96,115,134,139,145,148,273,278,351,381,395,405,421,450,452,487,508,516,530,547,550,557,659,727,772,773,799,819,839,890,968,992 +0425_00153 15,26,29,41,44,66,86,90,134,153,160,175,207,222,233,237,319,352,356,380,420,487,488,515,524,540,550,559,586,591,603,626,631,640,676,686,687,714,765,781,792,889,931,948,954,960,968,994 +0425_00154 20,22,26,31,41,68,96,109,134,182,207,211,218,220,230,260,278,327,347,367,374,381,396,410,431,484,485,487,502,508,515,516,530,550,563,594,617,624,635,727,748,781,802,821,894,905,906,913,948,968,979 +0425_00155 144,146,148,153,193,214,236,256,275,347,401,411,442,489,505,508,592,649,662,672,763,795,820,842,864,915,948,954,977,981,994,1022 +0425_00156 12,20,53,74,81,83,90,109,115,116,134,146,207,220,236,245,296,339,366,373,381,383,385,393,401,405,420,446,461,467,475,487,508,515,516,525,530,537,550,553,560,585,595,603,686,727,739,751,771,772,781,802,824,827,873,874,917,948,968,999,1020 +0425_00157 40,134,144,181,190,215,245,257,405,429,468,481,504,508,524,554,559,570,603,625,628,662,739,794,806,829,843,863,896,948,977 +0425_00158 4,20,38,51,78,83,96,109,134,145,153,161,167,198,227,256,260,267,270,296,347,354,360,418,421,430,487,505,508,511,516,544,550,575,663,727,739,761,800,811,812,871,883,935,943,948,968,970,990,994 +0425_00159 20,31,68,74,84,90,96,108,134,146,151,168,188,211,220,221,236,260,278,300,326,347,380,405,461,487,505,508,515,516,531,549,550,553,568,599,604,613,722,727,772,787,822,832,840,868,873,887,910,916,918,948,968,988,992 +0425_00160 20,28,31,49,50,65,68,74,84,90,96,108,134,146,151,168,188,189,211,220,221,236,257,272,278,300,347,380,405,461,487,505,508,516,531,549,550,553,567,568,599,604,613,671,684,687,727,772,778,822,832,840,868,873,887,916,918,941,948,968,992 +0425_00161 15,20,24,39,58,70,75,81,83,89,94,122,134,153,155,175,194,204,207,216,221,226,231,235,238,254,256,260,275,307,318,345,347,390,391,442,452,468,480,500,508,511,519,526,533,578,583,623,626,630,711,727,731,762,767,773,779,783,791,797,802,814,835,863,886,936,948,959,964,968,994,999,1008 +0425_00162 20,26,50,68,94,134,194,207,211,219,245,248,255,273,289,317,405,409,417,433,456,487,499,506,508,516,548,550,553,578,579,580,585,605,625,626,662,717,725,727,747,800,802,891,895,928,937,948,955,968 +0425_00163 20,26,50,63,67,68,89,94,96,134,183,207,232,245,248,266,273,289,317,405,409,417,429,433,446,447,456,476,487,494,499,506,508,515,516,536,538,548,550,577,578,579,613,625,626,662,727,747,760,802,858,863,901,928,935,948,955,968,1012 +0425_00164 20,26,50,68,74,94,134,153,198,207,219,245,248,266,270,273,275,289,317,393,405,409,417,433,447,453,456,499,506,508,515,516,548,565,578,579,580,625,626,662,664,727,747,776,802,811,880,913,928,948,955,968,994,1021 +0425_00165 17,20,26,35,50,68,83,108,134,151,207,220,221,245,248,273,298,300,317,347,366,405,409,417,433,499,506,508,515,542,548,549,550,579,625,652,654,662,686,727,802,812,840,867,871,948,955,968,970,984 +0425_00166 20,31,39,53,66,68,74,96,98,108,134,146,151,153,182,185,199,211,221,236,241,278,300,316,343,347,351,377,400,405,461,476,487,508,515,516,531,541,549,550,613,634,686,696,719,721,727,772,778,780,820,822,840,850,880,937,945,948,968,980,992 +0425_00167 15,20,30,44,45,51,57,62,73,79,89,94,96,111,117,134,141,143,145,153,164,168,178,199,207,210,230,237,241,242,260,270,277,282,294,332,347,354,362,367,381,383,415,418,419,421,425,473,475,477,487,497,508,524,549,550,571,588,592,626,640,645,656,658,677,715,726,727,757,772,778,786,788,802,850,851,857,910,934,948,954,964,968,977,981,994,1005 +0425_00168 1,4,12,15,26,35,54,67,89,94,114,128,134,139,144,146,153,180,200,226,228,235,245,289,304,322,330,332,342,353,359,405,439,442,444,451,461,494,495,508,513,515,519,521,524,544,550,555,557,559,569,574,581,584,603,608,613,616,626,640,641,660,670,723,746,763,781,783,830,838,847,854,855,865,884,898,948,968,979,994,1001,1012 +0425_00169 20,62,63,67,69,71,72,91,94,96,107,114,134,153,160,168,207,241,242,243,270,272,281,299,322,330,335,336,405,413,434,467,470,487,503,508,524,530,540,543,548,550,603,626,652,654,662,670,672,714,727,746,759,778,794,802,826,830,872,877,882,885,910,936,948,963,968,994,1016 +0425_00170 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0425_00171 20,45,51,53,94,134,153,181,206,207,227,235,260,265,270,278,281,292,295,334,347,390,392,452,480,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,943,948,968,1019 +0425_00172 20,48,64,69,101,102,103,134,138,144,153,158,178,207,238,249,263,270,360,363,372,384,404,453,461,465,476,497,504,508,514,516,538,552,570,593,611,629,657,662,685,706,720,746,748,794,809,833,850,881,915,919,948,957,968,983,984,989,998,1012 +0425_00173 20,26,89,94,134,141,153,207,270,283,302,327,352,366,380,480,481,492,499,508,511,516,525,527,531,626,700,727,739,743,773,776,783,792,802,818,862,888,896,898,917,927,948,1007,1014 +0425_00174 20,33,56,133,134,136,146,149,172,236,278,317,321,322,405,461,464,481,487,508,516,530,531,532,550,580,585,598,605,617,659,665,717,727,749,762,777,785,797,809,907,948,960,968,987 +0425_00175 19,25,38,57,63,65,124,131,134,153,165,170,172,207,223,228,233,240,317,319,347,361,405,417,422,436,445,474,481,486,508,524,554,555,558,580,598,626,629,640,645,678,690,692,728,755,802,818,835,852,887,948,954,960,968,975 +0425_00176 15,20,89,108,134,144,151,153,154,160,171,190,207,230,240,254,263,291,347,365,433,434,445,460,461,474,481,492,505,508,510,516,540,544,663,687,714,727,741,761,762,767,781,802,807,878,896,914,948,958,960,968,994,1012 +0425_00177 12,20,133,134,136,146,149,167,172,188,220,236,260,278,281,317,337,354,405,461,464,508,513,516,530,532,550,659,665,675,717,727,749,762,777,785,809,830,900,948,960,968,969,980 +0425_00178 11,20,58,86,92,129,144,146,153,196,236,277,330,423,483,508,516,555,609,626,727,733,784,850,913,920,934,946,948,977 +0425_00179 15,20,26,58,61,84,85,89,94,101,124,132,149,151,184,212,250,267,312,361,393,404,444,461,466,499,505,508,511,570,602,623,626,635,710,711,727,771,829,849,882,893,948,1009,1019 +0425_00180 15,20,33,39,49,68,72,94,96,111,134,153,175,203,204,207,218,219,231,237,242,244,254,270,281,298,304,326,347,366,373,432,456,476,484,487,505,508,515,516,522,524,527,550,584,594,612,626,641,655,663,690,705,706,711,727,739,750,757,768,788,800,802,807,829,866,907,917,928,931,948,954,963,968,994,1006,1014 +0425_00181 20,31,52,62,68,89,94,96,123,134,145,146,153,165,177,210,211,213,220,223,231,254,261,270,272,281,334,335,347,352,362,367,383,402,405,410,451,454,456,470,478,487,503,508,515,524,527,543,550,555,559,585,595,596,612,615,626,629,654,656,658,664,686,714,716,727,786,808,823,829,834,839,855,872,889,928,934,936,940,948,958,963,968,994,1002,1006,1012,1022 +0425_00182 9,20,133,134,136,146,149,172,184,220,236,260,278,317,405,418,461,464,508,515,516,530,531,532,550,598,613,659,665,717,722,727,749,762,777,785,809,844,907,910,916,948,960,968,988 +0425_00183 20,133,134,136,146,149,172,178,233,236,269,278,317,351,400,402,405,417,461,464,508,516,518,530,532,550,578,586,615,659,665,717,727,749,762,773,777,785,808,809,948,960,968 +0425_00184 47,134,189,227,245,394,405,422,479,485,498,508,587,595,607,619,662,668,927,968 +0425_00185 8,9,15,18,35,52,58,67,81,89,111,134,146,153,172,189,192,197,235,236,242,244,280,307,347,407,414,425,430,481,490,508,509,510,513,516,524,549,552,603,638,641,668,678,687,714,716,720,733,773,778,843,864,874,891,906,948,968,972,983,989,994 +0425_00186 20,45,92,139,146,153,236,270,272,360,416,508,516,609,626,632,633,643,727,762,775,778,940,948,960,1001 +0425_00187 2,3,7,15,16,20,26,45,61,74,89,94,104,108,109,116,128,153,171,174,204,207,208,222,232,234,254,260,266,300,307,311,325,329,336,345,347,377,382,413,423,443,450,453,461,466,467,480,499,501,504,508,524,531,540,549,574,596,598,601,606,610,626,630,633,671,675,676,682,684,691,696,698,700,707,717,719,727,729,747,752,755,762,772,778,780,783,789,790,798,802,819,821,828,829,855,857,859,860,863,874,875,877,878,897,903,909,911,913,928,936,948,964,966,974,981,1000,1001,1009 +0425_00188 15,20,47,89,91,94,96,107,134,155,190,207,210,221,237,244,263,326,351,352,401,402,419,429,473,487,496,508,517,527,538,550,555,581,615,616,626,630,725,727,769,772,788,802,908,931,948,958,968 +0425_00189 23,26,38,47,93,96,120,134,145,153,204,213,220,229,245,278,290,421,426,459,487,504,508,516,524,550,572,588,603,610,672,686,811,821,850,934,943,948,968,1000,1002 +0425_00190 20,66,68,74,76,84,108,134,144,146,182,197,198,199,211,227,236,255,272,278,295,327,347,351,386,389,405,461,476,487,508,515,516,531,541,549,550,553,580,585,599,605,613,633,634,647,670,686,721,725,727,772,774,778,805,822,850,939,948,968,992,1017 +0425_00191 4,13,20,21,39,61,101,134,140,144,153,193,198,200,248,278,307,347,349,354,374,405,408,461,487,508,513,516,539,549,550,559,601,614,651,689,705,727,737,773,778,781,794,874,892,898,948,962,968,977,980,988,994 +0425_00192 13,20,28,49,50,65,74,84,108,134,146,151,178,189,202,206,220,236,257,272,277,278,300,347,400,405,446,452,461,472,508,516,525,531,549,553,567,570,613,671,684,687,701,710,727,762,772,773,778,822,840,845,916,941,948,968,992 +0425_00193 10,96,134,146,254,257,326,336,345,405,487,524,550,563,596,612,626,677,766,796,872,928,968,1006,1008 +0425_00194 20,29,37,62,68,134,144,153,283,298,330,332,353,402,472,497,508,510,515,530,550,563,626,640,660,676,713,727,778,799,826,840,901,947,948,955,968,994 +0425_00195 96,108,134,139,144,145,146,185,236,237,264,272,381,421,487,508,516,530,550,667,670,737,752,763,809,875,948,968 +0425_00196 15,20,23,26,58,60,68,82,94,115,122,128,129,134,136,169,194,210,220,222,228,230,367,408,422,437,456,473,484,499,508,515,550,610,626,635,639,646,681,727,826,863,874,897,947,948,968,1008 +0425_00197 20,84,89,96,134,234,254,268,317,341,481,487,508,524,542,550,575,604,612,626,666,677,727,733,815,833,897,906,908,936,951,968,972,1006 +0425_00198 20,26,49,50,52,68,94,134,153,207,219,245,248,266,270,273,275,288,289,317,347,391,393,405,409,417,433,447,453,456,499,506,508,515,516,548,549,578,579,580,607,622,625,626,662,664,725,727,747,753,802,913,928,942,948,955,968,1021 +0425_00199 20,65,68,93,115,134,144,153,231,250,284,308,310,343,347,395,405,450,479,504,505,508,524,544,556,587,593,599,606,615,640,659,663,666,670,713,727,749,785,856,859,915,919,948,967,977,994,1010,1017 +0425_00200 15,20,32,89,94,96,107,122,134,138,141,145,154,167,207,217,226,233,237,276,404,421,427,473,487,508,523,526,550,593,601,626,647,662,727,772,785,804,888,968,1001 +0425_00201 1,20,31,68,77,96,134,181,211,220,230,260,283,295,347,353,372,390,456,487,505,508,549,550,555,626,635,640,666,675,727,778,812,897,948,968,972,980,1011 +0425_00202 20,39,78,96,119,134,139,145,186,202,220,227,255,278,282,308,374,377,381,390,421,432,452,461,487,508,516,530,550,635,642,659,711,717,727,948,968 +0425_00203 20,58,134,136,140,153,190,207,230,257,278,347,455,483,497,502,505,508,515,516,530,549,550,596,602,636,673,690,705,709,715,727,750,774,800,802,857,888,908,912,948,968,970,994 +0425_00204 20,53,61,63,114,134,144,153,220,245,270,281,282,297,306,336,337,374,389,420,458,508,514,515,516,528,550,565,635,670,686,727,748,776,777,783,803,810,814,828,849,874,878,897,912,938,948,968,977,994 +0425_00205 9,15,47,89,126,134,169,191,236,245,254,282,288,473,505,506,508,627,634,662,692,723,747,753,836,964,968,995,1012 +0425_00206 4,20,22,61,63,68,114,134,144,177,211,220,282,306,330,336,337,342,347,374,389,408,420,458,487,488,508,515,516,549,550,619,658,670,686,700,705,727,777,778,781,783,797,814,828,874,878,888,890,897,912,937,938,948,968,977 +0425_00207 15,20,26,41,45,54,62,79,89,91,94,134,151,153,209,240,267,270,271,282,283,338,350,353,382,412,441,449,456,461,495,499,507,508,515,573,601,612,626,640,668,704,715,727,746,759,767,772,778,784,786,797,817,826,830,844,941,948,963,968,977,993,994,1000,1009,1022 +0425_00208 1,2,15,26,29,68,85,89,92,134,222,230,245,251,257,276,315,325,398,415,451,467,472,496,499,508,515,550,566,621,626,634,640,648,676,689,733,769,772,811,814,830,841,842,872,879,908,916,920,936,939,947,948,956,963,964,968,977,1001,1022 +0425_00209 20,52,92,134,143,146,153,157,236,261,347,408,413,418,487,508,509,523,525,526,549,550,609,626,642,653,655,670,713,719,727,746,776,781,800,818,844,854,897,922,945,948,968,976,994 +0425_00210 14,20,35,55,61,167,207,243,259,311,347,451,472,484,494,508,516,536,539,548,570,645,727,754,762,787,802,837,838,948,957,970,998 +0425_00211 96,99,134,145,146,156,172,203,220,226,236,242,249,255,301,335,354,405,407,421,461,472,479,481,487,508,532,535,550,558,601,681,710,864,874,893,930,936,948,958,968,976,980,987,992,1009 +0425_00212 15,20,50,57,62,82,89,96,123,134,144,147,153,156,212,214,221,231,235,237,244,252,283,310,353,411,458,482,495,515,550,553,556,560,562,595,624,626,640,660,755,769,772,778,795,818,826,827,863,908,936,948,964,968,977,994,999,1000 +0425_00213 18,20,62,96,106,114,134,144,145,153,165,168,177,193,199,203,207,230,231,236,241,242,243,270,281,300,325,335,336,347,352,390,392,403,405,421,444,456,481,482,487,493,508,516,526,543,549,550,558,572,579,580,585,588,598,605,606,626,652,662,670,679,727,737,739,742,747,764,775,819,823,828,847,905,917,936,948,954,965,968,970,976,977,989,993,1010,1015,1018 +0425_00214 20,36,55,58,78,96,97,134,139,145,153,207,270,278,287,288,347,381,421,475,487,497,508,516,530,550,634,659,673,723,727,790,802,822,848,908,917,935,948,968,970,994 +0425_00215 20,94,96,128,134,145,148,207,256,264,338,388,392,421,440,458,487,508,550,626,628,638,654,670,719,727,737,802,863,884,948,968 +0425_00216 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0425_00217 3,8,15,20,68,89,134,138,146,160,172,191,197,209,213,214,225,236,237,245,248,276,298,302,304,331,346,355,417,453,508,515,532,550,657,709,727,745,757,813,819,828,836,857,932,948,968,989,1006,1008,1012,1022 +0425_00218 4,20,86,96,114,126,134,141,145,207,215,246,248,249,253,322,335,345,347,421,467,487,497,502,508,515,516,521,523,549,550,596,605,643,665,705,709,715,727,778,802,806,816,868,892,936,948,968,970,987,1006,1010 +0425_00219 20,134,136,207,278,341,350,472,481,508,516,530,548,550,574,598,647,659,720,727,779,802,843,870,912,926,948,968,986 +0425_00220 15,20,34,51,55,62,71,91,96,99,107,129,134,136,142,146,153,173,190,197,236,251,260,271,295,296,305,319,322,347,418,420,422,425,430,433,440,442,459,461,495,508,515,516,524,530,545,550,555,571,585,597,635,654,668,670,673,727,748,778,786,787,800,802,809,812,826,832,844,863,897,929,948,968,984,987,994,1011 +0425_00221 26,38,96,97,101,109,134,139,145,156,161,205,227,236,245,256,260,267,347,348,381,403,421,461,466,467,481,487,494,499,508,511,516,521,524,530,540,550,575,644,693,707,757,794,812,871,883,948,963,966,968,970,1008,1015 +0425_00222 13,15,20,24,49,62,68,89,96,105,130,134,136,145,146,153,162,172,193,195,201,207,218,230,236,256,263,265,270,298,319,345,347,390,392,398,421,429,433,446,461,477,481,487,495,508,516,532,550,556,558,566,567,575,578,588,617,626,668,670,680,686,700,701,711,716,727,739,762,772,777,781,782,801,802,829,833,835,862,887,905,948,968,970,989,993 +0425_00223 13,20,39,62,70,91,96,97,112,114,128,134,137,144,145,153,156,193,204,207,220,223,229,230,241,248,270,292,295,299,338,346,347,355,361,386,387,390,392,395,400,405,421,430,481,487,505,508,516,533,543,544,550,558,572,577,579,588,598,615,626,638,649,654,670,714,725,727,731,733,739,747,751,772,773,775,779,781,798,800,802,812,847,873,883,894,917,943,948,953,968,970,983,989,993,1009,1010,1011 +0425_00224 1,15,26,65,85,89,109,134,149,159,184,222,245,254,257,297,315,325,348,353,369,398,400,409,415,419,420,455,465,472,475,477,496,499,508,515,566,567,586,601,626,634,640,642,703,733,772,811,830,841,908,948,968,1022 +0425_00225 3,9,15,20,25,26,63,85,89,134,147,148,150,156,186,211,222,238,245,292,300,310,328,347,351,357,358,390,399,401,459,461,462,464,466,473,491,499,502,508,513,517,532,534,540,549,553,562,587,603,621,635,654,689,724,727,769,772,787,801,819,820,829,858,867,888,906,909,946,948,949,963,968,969,987,1015,1022 +0425_00226 15,20,89,94,108,134,144,150,153,154,160,171,190,207,230,240,254,263,291,347,407,434,445,456,461,474,481,492,508,510,516,540,626,687,714,727,761,762,767,781,802,856,896,948,958,960,968,975,994,1009 +0425_00227 20,35,48,56,77,93,94,107,134,141,153,207,225,231,241,248,259,261,270,281,285,295,301,341,353,395,397,403,424,436,458,463,473,480,481,499,508,511,516,544,549,550,558,564,602,620,621,626,638,640,642,654,655,659,676,698,699,704,712,725,727,731,733,739,756,762,771,776,778,781,802,815,819,833,907,913,915,917,926,929,945,947,948,950,968,970,984,989,992 +0425_00228 20,25,101,117,124,133,134,136,146,149,172,230,236,242,254,257,278,317,347,351,405,448,461,464,470,476,508,515,516,530,532,549,550,610,613,659,665,666,671,686,717,727,733,749,762,777,778,785,809,916,948,960,968,992,1004 +0425_00229 15,20,26,45,54,55,58,62,79,89,115,134,153,187,202,220,248,262,270,272,282,283,336,348,353,371,410,421,454,456,478,515,581,601,626,640,664,680,704,715,746,762,767,772,778,782,786,826,858,941,948,968,977,988,994,1022 +0425_00230 15,26,35,45,54,62,77,79,89,93,134,151,153,209,232,241,267,270,282,283,326,338,350,353,382,412,420,441,456,461,495,499,507,515,567,570,573,601,626,640,668,704,715,746,767,772,773,778,784,786,797,826,844,941,948,963,968,977,993,994,1000,1002,1022 +0425_00231 52,62,134,188,317,405,422,479,488,503,517,544,567,645,662,725,738,778,784,787,820,950,968,984,1023 +0425_00232 52,78,96,134,155,196,201,322,323,425,450,487,503,506,550,600,662,762,771,773,786,797,820,834,846,968,985 +0425_00233 108,134,136,144,146,185,220,236,237,343,372,508,516,522,530,542,550,667,670,686,737,752,763,809,875,910,933,948,968 +0425_00234 4,20,69,95,124,134,141,148,153,158,201,226,257,304,347,353,362,487,508,515,517,549,550,551,557,578,626,640,644,666,705,712,727,735,778,825,850,858,931,948,968,990,999 +0425_00235 5,26,52,62,126,134,153,157,207,231,245,273,280,362,476,506,508,518,519,559,593,604,639,642,662,697,710,802,820,856,888,933,948,994 +0425_00236 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0425_00237 33,53,68,75,80,134,162,193,207,210,216,259,284,376,399,405,407,493,516,520,531,535,580,587,613,615,662,670,802,817,848,862,900,910,913,915,925,948,953,1015 +0425_00238 20,44,93,96,134,142,278,300,329,347,390,414,446,462,467,482,487,508,516,530,541,549,550,560,689,698,722,727,789,820,948,968,970 +0425_00239 14,20,29,102,114,134,137,138,144,153,158,170,207,238,262,270,272,286,292,353,360,373,404,451,453,461,465,497,508,516,552,570,581,582,621,629,650,657,670,685,706,707,713,748,769,837,847,850,867,881,930,948,968,980,983,989,998,1012 +0425_00240 20,32,34,81,194,223,256,266,300,347,367,487,508,509,549,564,631,692,709,727,732,762,820,850,898,948,951,954,980 +0425_00241 20,22,127,134,138,153,182,220,228,238,262,278,284,288,290,319,331,366,367,466,480,487,502,508,516,550,649,727,772,781,816,833,851,911,948,968,982,994 +0425_00242 5,15,26,27,31,49,60,75,85,87,89,92,131,134,148,220,222,245,276,285,324,334,361,364,370,375,385,480,499,508,513,527,540,542,566,608,609,626,679,772,774,801,838,851,879,881,892,913,936,945,946,948,968,969,1004,1022 +0425_00243 14,15,17,20,22,26,27,45,61,63,67,86,87,89,94,96,107,113,116,119,122,138,153,161,165,205,207,219,222,234,254,260,287,300,305,306,312,318,319,336,346,368,374,388,390,423,443,449,452,455,456,460,461,466,469,490,499,508,509,534,538,559,565,573,574,583,584,589,603,606,610,625,626,648,672,677,684,689,703,727,730,772,786,790,792,802,804,829,839,840,848,855,864,892,909,936,948,958,959,964,965,966,968,974,994,995,1000,1009,1023 +0425_00244 15,26,105,134,153,162,176,196,207,222,227,237,250,259,260,289,315,347,350,358,505,516,519,549,550,626,644,647,666,687,718,731,757,778,788,802,812,855,925,940,948,968,980,998 +0425_00245 20,33,62,64,91,94,129,134,153,169,178,204,265,270,276,281,395,397,400,405,417,434,441,451,456,459,481,485,507,508,517,522,524,534,544,550,552,555,578,626,635,658,706,719,721,727,733,749,754,773,778,786,796,806,826,850,855,874,876,889,897,909,940,947,948,955,958,968,978,985,994 +0425_00246 1,15,20,64,69,94,96,134,144,153,154,160,203,206,215,255,260,261,270,272,281,286,309,334,344,382,422,432,439,461,480,487,498,508,515,522,542,543,550,554,569,590,600,626,640,654,655,670,702,714,727,742,763,842,844,847,850,851,902,948,968,981,997,1003,1012 +0425_00247 15,20,47,62,89,94,96,98,107,134,145,153,173,207,229,230,236,252,270,347,364,385,398,421,454,458,461,487,496,497,508,516,550,558,560,588,615,626,669,727,739,772,789,802,828,901,927,948,968,989 +0425_00248 20,55,58,97,128,129,153,245,259,270,347,399,410,420,450,492,508,516,517,541,549,596,637,727,772,791,800,835,837,838,902,909,948,954,994,1017 +0425_00249 2,20,58,113,139,153,154,157,207,256,304,347,411,447,486,487,489,494,497,502,508,516,530,549,568,574,596,652,727,737,762,765,775,802,820,850,851,877,948,954,994,995 +0425_00250 20,39,49,77,94,134,153,163,165,199,207,246,480,481,508,511,527,626,727,755,802,849,866,928,948,949 +0425_00251 4,18,20,39,45,52,91,97,134,141,144,151,153,183,207,221,226,241,255,256,260,270,280,281,304,325,337,341,343,344,345,347,354,372,378,390,391,399,426,430,436,439,451,481,508,513,515,516,549,550,558,562,569,608,626,642,704,705,706,709,717,721,727,733,738,764,767,775,778,800,802,816,833,871,888,908,910,917,944,948,968,977,988,989 +0425_00252 13,20,52,92,97,134,146,153,164,182,207,220,236,243,261,292,338,341,347,367,402,413,480,487,508,523,546,549,550,555,597,609,626,656,670,710,713,719,727,745,776,781,802,818,839,844,854,898,945,948,949,968,973,976,983,994 +0425_00253 14,20,52,58,92,97,134,146,153,207,220,236,263,292,338,342,347,400,413,416,431,457,465,508,549,597,605,609,626,649,670,710,727,745,763,773,790,795,802,818,839,844,854,883,948,949,968,983 +0425_00254 3,5,7,15,18,20,26,32,33,44,45,53,54,87,89,94,107,114,134,144,155,165,166,170,173,176,187,198,199,200,203,209,217,229,242,244,245,248,260,265,272,287,289,301,317,318,329,331,339,347,349,365,382,384,402,407,429,440,453,456,458,461,471,481,485,500,508,511,519,534,540,573,607,626,627,644,651,657,677,687,707,711,712,713,719,723,727,729,739,741,746,748,762,772,777,780,791,797,800,818,819,829,836,844,845,855,864,878,912,932,934,936,948,963,964,968,974,987,1005,1015,1017,1019 +0425_00255 15,20,26,64,69,88,89,94,99,107,141,153,154,173,207,213,242,274,275,280,287,342,347,354,363,379,409,481,499,506,508,516,528,541,626,632,692,712,719,727,746,757,769,776,778,789,819,840,842,850,886,915,923,930,948,969,1018 +0425_00256 2,15,16,17,23,24,25,26,30,36,44,51,54,56,86,89,110,134,139,140,144,146,163,174,176,198,200,207,211,220,223,230,236,238,242,245,247,254,260,268,274,275,280,295,313,318,345,347,353,359,382,425,426,437,458,459,461,467,473,480,485,508,516,521,534,536,549,551,552,557,562,569,572,574,601,606,609,626,641,655,664,667,673,704,707,713,718,719,756,762,767,771,782,785,786,791,795,798,802,805,810,812,819,829,834,855,856,858,872,880,884,885,889,906,912,917,921,925,928,936,945,948,954,962,964,968,973,974,975 +0425_00257 15,24,26,50,52,89,92,103,105,109,118,130,134,144,153,155,165,168,173,174,180,200,211,223,225,237,244,245,249,259,260,272,280,288,298,303,313,327,331,332,347,366,367,380,382,391,393,398,404,406,422,425,430,433,444,461,466,467,468,473,488,493,499,508,533,534,545,548,549,554,557,569,572,579,584,590,597,612,626,639,670,679,696,704,719,723,726,734,776,780,795,819,837,851,852,854,855,867,869,898,906,919,925,936,948,962,963,964,974,983,984,985,987,994,1021 +0425_00258 20,55,61,132,146,197,207,236,243,259,263,289,297,347,484,508,516,517,525,570,645,727,754,762,787,802,837,838,857,948,957,970,998 +0425_00259 15,62,80,81,87,110,116,119,132,134,153,195,208,220,245,259,272,385,393,398,399,405,426,439,487,508,524,539,550,568,571,585,618,623,624,625,628,642,662,676,725,794,805,806,825,829,843,850,926,948,968 +0425_00260 15,20,22,40,61,63,64,68,83,114,127,134,143,144,180,181,220,237,282,298,303,306,330,336,337,347,374,385,389,404,420,422,458,461,488,508,515,516,550,576,596,609,670,686,700,718,727,777,783,814,828,874,878,890,897,912,914,937,938,948,968,977,1012,1022,1024 +0425_00261 26,75,96,101,111,134,139,145,169,245,246,348,353,381,405,409,417,421,442,479,487,494,499,508,516,524,530,533,540,548,550,638,641,684,746,757,759,816,889,915,948,956,967,968,970,1015 +0425_00262 1,8,20,31,55,68,96,101,129,134,153,211,219,220,259,260,287,297,315,334,335,336,347,359,367,368,479,482,487,508,515,516,517,542,549,550,570,600,621,637,641,670,686,694,696,705,710,719,725,727,767,779,800,802,857,889,945,948,955,968,993,998 +0425_00263 20,49,134,154,207,220,230,241,276,295,300,330,343,347,350,490,497,502,508,516,522,542,550,559,580,593,596,600,638,647,654,686,715,727,739,742,760,781,802,850,917,922,948,968,970 +0425_00264 20,23,26,55,63,66,68,74,84,90,108,134,136,144,146,182,197,199,236,238,272,278,298,342,347,351,389,398,405,446,461,476,508,515,516,530,531,549,550,553,565,599,613,634,660,670,686,721,727,772,778,792,811,822,841,850,873,918,948,951,966,968,992 +0425_00265 15,20,44,50,89,94,134,139,165,216,245,254,281,289,364,508,540,586,626,660,669,677,727,772,790,823,863,1014 +0425_00266 20,52,94,134,153,208,261,347,408,426,482,487,508,509,523,525,549,550,626,642,654,655,670,713,719,727,776,781,884,897,903,922,945,948,968,976,994,1000 +0425_00267 10,13,20,52,94,97,134,153,164,182,199,207,220,243,261,292,338,347,367,455,487,508,523,546,549,550,555,597,626,638,654,670,713,719,727,745,776,781,802,811,839,884,898,945,948,949,968,976,994 +0425_00268 20,92,96,128,134,145,146,148,153,207,236,327,338,388,413,421,440,444,487,502,508,550,609,626,628,670,710,727,737,802,818,844,854,863,897,948,968,983 +0425_00269 7,20,37,86,89,94,143,153,165,195,199,204,247,298,300,321,347,461,493,505,508,562,626,677,719,727,779,799,865,936,948,974,994 +0425_00270 2,20,62,94,96,107,109,134,145,153,187,207,225,231,260,283,347,351,399,421,435,487,494,508,532,550,556,575,626,662,687,727,751,755,778,781,826,845,884,948,968,979,994,1015 +0425_00271 8,20,57,61,96,118,134,145,150,194,213,217,220,233,241,247,272,278,288,318,326,352,359,374,391,395,397,405,423,425,454,487,496,508,516,524,550,578,595,610,626,640,641,654,680,686,714,727,773,801,816,829,832,889,920,948,968,1019 +0425_00272 6,15,20,44,71,82,95,96,134,145,150,153,159,167,186,201,207,245,256,272,326,329,353,391,421,430,461,466,487,508,511,550,557,579,585,586,589,601,613,626,640,647,654,656,681,714,727,748,762,768,861,876,948,968,969 +0425_00273 20,31,38,68,81,94,96,106,134,181,185,211,214,241,251,330,331,337,347,356,397,405,408,413,420,437,442,486,487,508,510,515,525,530,548,549,550,571,580,618,621,626,686,705,719,727,728,733,779,793,807,809,814,835,841,850,862,905,909,911,925,948,960,968 +0425_00274 4,15,20,25,29,68,89,117,134,138,146,153,154,176,194,217,236,237,265,270,280,297,305,347,374,446,447,459,481,490,500,508,515,516,525,549,563,603,617,622,633,691,699,705,720,727,744,756,767,772,778,783,793,857,873,887,902,944,948,968,983,994,1000,1004,1010,1017,1023 +0425_00275 4,9,15,20,89,95,138,148,153,160,169,213,221,223,227,259,270,272,298,319,411,453,461,508,516,570,652,655,657,711,772,812,834,945,948,989,998,1004 +0425_00276 14,20,52,58,63,94,97,134,153,207,220,263,292,338,342,347,400,402,416,457,508,549,597,605,614,626,638,649,654,670,719,727,735,745,773,802,839,883,884,912,948,949,968,983 +0425_00277 13,20,92,134,144,146,153,178,182,206,220,236,261,314,367,405,413,418,420,472,480,485,487,508,524,550,587,609,626,632,642,657,670,688,705,727,759,781,800,813,818,844,854,890,898,940,948,961,968 +0425_00278 13,20,52,92,126,134,139,146,153,182,206,220,236,261,265,280,288,347,367,413,418,430,455,466,480,487,508,549,550,609,626,642,670,727,781,800,818,844,854,890,898,946,948,968,982 +0425_00279 3,13,20,52,94,126,134,139,153,175,182,206,220,235,261,280,347,360,367,426,430,455,480,487,508,549,550,626,642,654,670,719,727,781,844,884,890,898,939,948,968 +0425_00280 14,28,33,53,58,103,110,134,144,153,193,207,230,245,257,321,352,363,405,411,427,506,508,516,552,615,662,668,669,671,722,748,802,830,948,965,994,1018 +0425_00281 15,30,52,53,62,66,101,106,107,111,126,133,134,146,153,161,172,175,180,182,236,245,249,292,310,316,341,342,347,357,358,379,398,403,405,412,420,424,451,496,505,506,508,515,524,532,550,582,584,592,593,595,615,631,654,662,686,700,705,709,727,729,734,750,756,786,800,815,817,820,862,892,948,955,962,966,968,969,994,1000,1002,1018,1023 +0425_00282 4,49,64,67,103,129,132,134,136,153,163,165,168,175,207,231,245,309,317,319,326,337,348,405,422,438,481,482,506,508,524,554,556,570,575,576,582,615,626,631,662,736,830,860,868,887,889,940,950,968 +0425_00283 88,134,219,239,245,249,288,317,405,422,479,507,508,529,582,591,622,628,662,778,787,803,836,866,871,917,950,968,975 +0425_00284 14,28,36,58,103,110,134,144,153,188,230,240,245,257,321,359,363,405,411,427,506,508,516,615,662,668,748,821,830,881,948,965,994 +0425_00285 15,31,96,134,145,201,203,223,226,237,242,245,249,306,314,316,327,335,339,343,344,368,376,388,405,421,425,437,442,473,481,487,495,506,508,520,536,550,559,580,662,669,681,706,710,731,773,808,831,863,864,924,966,968,983,987,998,1022 +0425_00286 20,48,64,67,129,132,134,141,153,163,168,171,175,207,228,233,241,242,245,292,294,309,317,319,321,326,337,347,392,405,422,423,475,481,506,508,510,524,544,554,570,575,576,582,601,606,615,626,631,662,690,694,727,737,790,801,802,860,861,863,868,875,887,889,927,932,940,948,963,968,999 +0425_00287 29,90,96,134,145,203,220,235,245,249,272,335,346,360,380,405,421,487,493,506,508,516,550,582,616,630,662,710,718,824,864,925,948,968,987 +0425_00288 10,21,28,62,117,134,141,144,153,220,245,293,297,315,327,405,417,453,459,500,506,508,582,615,629,662,670,689,706,738,778,780,786,813,826,948,965,994 +0425_00289 14,28,58,62,66,78,112,132,134,141,153,188,220,230,240,245,293,297,315,363,405,417,459,506,508,516,582,615,629,662,689,706,778,786,821,826,948,965,977,994 +0425_00290 33,53,110,134,144,193,207,216,230,245,261,321,352,353,405,411,427,506,508,516,552,614,615,662,668,669,671,748,796,802,874,948,1018 +0425_00291 14,28,58,103,110,134,144,153,230,245,257,321,329,363,384,405,411,427,450,506,508,516,615,662,668,703,714,739,748,830,908,948,961,965,977,991,994 +0425_00292 75,100,101,134,135,144,166,181,192,245,331,388,405,468,493,504,506,508,582,662,762,814,831,863,915,948,956,977,987,1015 +0425_00293 7,33,53,64,110,134,193,205,207,216,245,261,321,405,411,481,506,508,516,611,614,615,662,668,738,796,802,858,887,889,948,992 +0425_00294 7,64,110,134,144,245,321,405,411,481,506,508,516,551,610,611,615,626,662,668,714,738,739,818,856,887,889,948,961,977,992 +0425_00295 4,20,51,56,96,105,134,144,145,153,197,198,208,211,228,241,260,291,294,296,298,303,347,353,387,411,418,421,430,432,483,487,515,523,533,549,550,582,593,618,626,635,640,655,670,697,699,705,709,773,778,800,812,832,844,847,889,897,898,899,948,968,972,993,994 +0425_00296 5,7,15,26,31,49,60,71,72,83,85,87,89,131,134,148,160,222,245,276,285,306,311,357,370,399,499,508,513,554,566,608,626,695,755,772,801,826,848,849,879,892,909,916,928,936,943,945,948,964,968,1019,1022 +0425_00297 7,9,15,26,71,72,83,85,89,109,134,148,222,245,254,297,306,311,348,357,399,400,418,472,477,499,508,513,554,566,586,601,626,695,703,755,772,787,801,826,841,848,879,909,916,928,936,943,948,963,964,968,1019,1022 +0425_00298 15,26,40,77,89,104,113,134,153,158,214,222,224,226,237,245,288,292,315,328,336,353,380,400,423,440,492,499,508,544,550,566,567,586,626,640,652,666,703,716,726,757,769,772,782,783,846,908,924,932,948,951,968,1007,1014,1022 +0425_00299 20,60,62,73,94,96,134,141,144,145,153,207,210,230,238,251,265,270,300,347,360,401,417,421,427,466,479,480,487,508,511,516,517,549,550,558,588,626,670,673,695,710,718,727,739,863,870,899,916,917,948,968,977,989,999,1014,1017,1019 +0425_00300 7,15,20,26,37,47,49,60,85,89,94,109,127,134,146,195,204,216,222,245,247,249,254,260,274,285,297,300,310,337,343,347,348,381,400,424,461,472,477,478,493,499,508,562,566,586,590,601,606,609,626,632,677,703,719,727,739,741,748,772,779,787,799,801,804,841,851,865,879,928,936,948,964,969,973,974,1022 +0425_00301 10,15,26,35,47,57,71,89,134,140,143,144,153,167,171,190,244,245,256,260,265,282,320,340,341,347,352,353,392,418,425,435,438,449,453,461,467,488,496,499,501,508,516,523,526,534,538,545,549,567,580,594,603,618,621,626,651,656,672,689,707,711,719,720,752,763,771,775,780,812,819,853,855,859,863,869,883,885,894,895,906,936,937,938,947,948,961,964,970,974,981,987,990,992,994,998,1008,1015 +0425_00302 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 +0425_00303 14,15,26,60,89,102,108,111,156,222,244,282,285,288,295,348,401,414,453,492,499,531,560,566,596,609,625,626,646,656,690,698,730,746,761,772,802,818,846,851,855,872,936,948,949,951,964,987,1014,1022 diff --git a/processed_data/0425/0425_fingerprints_maccs_canonical_success.tsv b/processed_data/0425/0425_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..ab34fe09e --- /dev/null +++ b/processed_data/0425/0425_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,304 @@ +id bits.on +0425_00001 123,139,154,157,159,162,163,164,165 +0425_00002 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0425_00003 24,49,56,63,70,71,80,89,94,95,102,113,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,150,152,156,157,158,159,161,162,163,164,165 +0425_00004 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0425_00005 108,113,114,115,116,118,127,128,129,139,143,147,152,155,157,160,162,163,164,165 +0425_00006 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0425_00007 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00008 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0425_00009 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00010 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00011 37,43,53,66,74,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,129,131,136,137,141,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00012 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0425_00013 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00014 37,43,53,66,77,80,89,90,92,97,98,106,110,112,114,116,117,120,121,127,131,136,137,142,143,146,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00015 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00016 24,68,69,71,72,90,92,94,102,104,109,110,111,113,114,115,116,117,118,124,126,127,131,132,139,143,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00017 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00018 75,79,85,86,90,91,92,95,98,100,110,111,114,115,116,117,118,121,122,128,129,133,135,137,138,141,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00019 37,43,53,66,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,129,131,136,137,141,142,143,146,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00020 37,38,52,62,65,69,70,75,77,79,80,83,85,94,96,97,100,105,106,109,110,113,114,117,120,121,122,123,124,125,126,127,128,130,131,137,138,139,142,143,144,145,146,148,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00021 16,19,22,37,57,75,77,84,85,97,101,105,106,110,117,120,121,122,125,135,137,142,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00022 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00023 65,79,82,85,86,91,92,98,100,104,105,108,109,110,111,113,114,115,116,117,118,121,122,125,126,127,129,132,137,138,141,142,143,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00024 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0425_00025 28,39,40,47,48,51,52,55,58,60,61,62,65,67,69,73,75,79,80,83,85,86,88,92,93,94,95,96,97,100,102,104,106,108,110,112,113,115,117,120,121,122,124,127,130,132,133,135,136,137,139,140,141,142,143,144,146,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00026 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0425_00027 32,33,36,51,55,58,59,60,61,64,67,69,73,81,82,83,84,88,94,96,98,100,102,104,105,106,108,111,112,114,115,117,120,124,127,129,130,131,133,136,137,140,142,143,144,146,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0425_00028 57,83,89,91,96,105,123,131,132,136,137,139,140,146,147,150,152,154,157,159,163,164,165 +0425_00029 57,65,66,83,89,90,91,95,96,98,104,105,108,109,112,114,116,120,121,123,128,129,131,132,137,139,144,145,146,147,149,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0425_00030 62,90,104,123,125,132,136,139,145,146,147,152,154,155,157,159,162,163,164,165 +0425_00031 113,123,125,126,127,139,143,145,146,152,154,157,159,160,162,163,164,165 +0425_00032 53,54,82,89,95,100,104,111,113,115,116,125,127,129,131,132,139,140,143,145,146,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00033 54,82,93,95,100,104,110,111,113,115,116,117,125,126,127,129,131,132,133,135,139,140,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00034 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0425_00035 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0425_00036 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0425_00037 62,75,83,85,92,96,100,105,110,117,121,122,123,125,127,133,135,136,137,139,143,144,145,146,148,150,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00038 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00039 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0425_00040 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00041 75,79,85,86,90,91,92,93,95,98,100,108,110,111,115,116,117,118,121,122,129,133,135,137,141,142,144,145,147,148,149,150,151,153,154,156,158,160,161,162,163,164,165 +0425_00042 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00043 93,105,113,115,116,125,126,127,132,143,145,147,149,152,154,155,157,159,160,162,163,164,165 +0425_00044 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0425_00045 54,82,84,95,100,104,113,127,131,132,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0425_00046 52,62,75,80,83,89,92,94,95,96,97,110,113,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,139,142,143,145,146,147,148,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00047 37,43,53,66,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,128,129,131,136,137,141,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00048 37,43,53,62,66,77,80,89,90,92,97,98,106,110,112,114,117,120,121,127,131,136,137,142,143,145,146,150,151,154,155,156,158,159,160,161,162,163,164,165 +0425_00049 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0425_00050 29,54,69,84,86,90,91,93,95,102,104,111,112,115,116,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0425_00051 36,47,65,81,83,88,89,90,91,92,96,97,98,106,109,110,111,113,114,117,120,121,125,126,127,132,136,137,142,143,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00052 32,33,51,55,58,59,60,61,62,64,67,69,73,75,81,83,84,85,86,88,89,94,95,96,97,100,102,106,111,112,113,117,118,121,122,123,124,125,126,127,130,131,133,135,136,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0425_00053 54,79,82,91,92,95,100,104,108,110,111,114,115,116,117,131,133,135,141,142,144,147,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00054 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00055 36,62,75,81,83,85,86,88,95,96,98,100,105,109,111,113,118,120,121,122,125,126,127,128,129,131,132,137,138,139,140,143,144,145,146,147,148,150,152,153,154,155,157,158,159,161,162,163,164,165 +0425_00056 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0425_00057 66,84,90,101,105,112,116,128,145,151,156,158,160,161,163,165 +0425_00058 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0425_00059 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00060 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0425_00061 34,37,43,53,66,77,80,89,90,91,92,97,98,99,106,110,112,114,115,116,117,120,121,127,128,129,131,136,137,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00062 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00063 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00064 36,81,83,88,96,123,136,137,139,146,152,154,157,159,160,162,163,164,165 +0425_00065 36,37,47,52,65,66,74,77,79,80,81,83,85,88,93,94,96,97,106,110,112,117,120,121,122,124,133,135,137,141,142,148,149,151,154,156,158,160,161,162,164,165 +0425_00066 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00067 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0425_00068 53,59,64,81,88,123,131,139,144,150,154,157,159,162,163,164,165 +0425_00069 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0425_00070 32,33,51,55,57,58,60,61,65,67,69,71,73,80,83,84,88,94,96,97,102,104,105,106,111,112,117,120,121,124,130,132,136,137,142,146,148,151,152,153,155,156,159,161,162,163,164,165 +0425_00071 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00072 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00073 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0425_00074 66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0425_00075 26,50,66,76,90,91,96,99,104,105,108,112,114,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00076 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00077 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0425_00078 39,40,48,55,58,60,61,67,69,73,88,90,102,106,109,112,114,124,126,130,136,139,140,146,148,153,155,157,159,160,164 +0425_00079 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00080 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00081 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00082 89,90,91,92,98,104,108,110,111,115,117,121,127,129,131,132,136,137,139,140,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00083 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00084 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,136,148,151,156,159,160,161,162,163,164,165 +0425_00085 19,34,50,57,66,76,83,89,90,91,96,99,101,104,105,112,123,127,128,129,131,132,136,137,139,140,143,145,146,147,150,152,154,157,159,160,163,164,165 +0425_00086 66,74,112,113,125,127,131,139,143,145,149,152,157,159,160,162,163,164,165 +0425_00087 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0425_00088 104,105,123,125,132,139,145,154,155,157,159,162,163,164,165 +0425_00089 24,49,56,63,70,71,80,89,91,94,95,102,113,114,115,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,149,150,152,155,156,157,158,159,160,161,162,163,164,165 +0425_00090 62,113,125,127,139,143,144,145,150,152,157,162,163,164,165 +0425_00091 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00092 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,136,148,151,156,159,161,162,163,164,165 +0425_00093 33,39,40,43,48,55,58,60,61,67,69,73,88,90,91,94,102,104,106,111,112,117,118,124,129,130,131,133,136,139,146,147,148,151,156,158,159,161,163,164,165 +0425_00094 37,74,77,85,86,93,106,110,117,122,133,135,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00095 37,43,53,65,77,80,89,97,98,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0425_00096 29,32,33,48,51,55,58,59,60,61,64,67,69,73,81,84,88,93,94,102,106,112,113,117,124,126,127,130,136,140,143,146,148,149,151,152,156,157,159,160,161,162,163,164,165 +0425_00097 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,136,139,145,146,148,159,162,163,164,165 +0425_00098 24,49,56,62,63,70,71,80,89,91,94,95,102,113,118,119,122,124,127,129,130,133,135,136,139,140,142,143,144,145,146,147,148,150,152,156,157,158,159,161,162,163,164,165 +0425_00099 62,65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0425_00100 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0425_00101 66,74,112,113,115,127,139,141,143,149,152,155,157,160,162,163,164,165 +0425_00102 25,37,43,53,77,78,80,84,97,106,110,117,119,131,142,151,154,156,158,161,164 +0425_00103 17,34,37,66,75,77,80,85,89,90,92,93,97,98,99,106,108,110,112,114,116,117,120,121,122,127,136,137,141,142,143,146,148,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00104 29,48,65,67,73,79,81,88,92,95,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0425_00105 82,90,91,104,109,118,123,131,132,139,146,147,153,154,155,157,159,164 +0425_00106 26,50,66,72,76,90,91,96,99,105,108,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00107 66,74,112,113,127,139,141,143,144,149,150,152,157,160,162,163,164,165 +0425_00108 29,32,33,51,55,58,59,60,61,64,67,69,73,74,81,82,88,94,100,102,104,106,111,112,117,124,126,130,136,138,140,141,146,147,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00109 74,104,111,115,125,131,133,135,141,142,145,149,151,155,156,158,160,161,162,163,165 +0425_00110 25,43,65,77,79,83,84,96,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0425_00111 24,49,56,63,66,70,71,74,80,89,94,95,102,112,113,119,122,124,127,130,133,135,136,139,140,141,142,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0425_00112 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00113 39,40,48,51,55,58,59,60,61,64,67,73,81,88,102,106,108,109,112,114,115,116,118,124,126,128,129,130,132,136,146,147,148,153,155,157,159,160,162,163,164,165 +0425_00114 36,37,43,47,65,77,80,81,83,88,93,96,97,105,106,110,117,120,121,131,133,135,137,142,151,154,156,158,160,161,162,163,164,165 +0425_00115 37,43,77,90,91,104,106,108,110,111,115,116,117,118,129,131,133,135,142,145,147,150,151,154,156,158,160,161,162,163,164,165 +0425_00116 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0425_00117 23,32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,89,93,94,102,106,110,112,117,123,124,126,130,131,133,135,136,140,142,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00118 39,40,48,51,52,53,55,58,59,60,61,64,67,69,73,81,88,92,94,95,97,102,105,106,110,112,113,117,119,124,125,127,130,131,133,135,136,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00119 113,123,125,126,127,139,143,145,146,152,154,157,159,162,163,164,165 +0425_00120 38,57,62,65,77,79,83,95,96,105,120,121,137,142,151,152,156,161,162,163,164,165 +0425_00121 36,57,76,81,88,89,91,92,97,98,99,108,109,110,116,117,120,132,133,135,137,138,145,147,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00122 36,51,55,57,58,60,61,67,73,76,81,88,89,91,92,97,98,99,102,108,109,110,112,116,117,120,124,127,130,132,133,135,136,137,138,140,143,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00123 54,79,82,86,91,92,95,100,104,110,111,114,116,117,131,132,133,135,138,141,142,144,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00124 23,90,97,106,109,110,113,114,117,123,125,126,127,131,133,135,136,140,142,143,145,146,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00125 23,93,97,106,110,113,117,123,125,126,127,131,133,135,136,140,142,143,145,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00126 26,50,66,76,90,91,96,99,104,105,108,112,116,118,127,128,129,132,139,143,145,147,150,152,154,157,159,160,163,164,165 +0425_00127 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00128 22,65,66,77,80,90,93,97,98,112,113,120,121,125,126,127,137,139,142,143,145,152,157,159,160,161,162,163,164,165 +0425_00129 29,38,48,52,65,67,73,77,79,80,81,83,88,92,94,95,96,97,98,102,105,106,109,110,112,113,114,117,120,121,122,123,124,126,127,128,130,137,138,140,141,142,143,144,146,148,149,150,153,154,155,156,157,159,160,161,162,163,164,165 +0425_00130 37,74,77,85,86,93,106,110,113,117,122,125,126,127,133,135,141,142,143,145,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00131 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0425_00132 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00133 36,37,47,65,77,80,81,83,85,88,93,96,97,105,106,110,117,120,121,122,133,135,137,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00134 24,32,33,49,51,55,56,58,59,60,61,63,64,67,69,70,71,73,79,80,81,84,85,86,88,94,97,100,102,106,108,111,112,114,115,117,118,119,122,124,128,129,130,133,135,136,138,140,142,144,146,147,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0425_00135 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0425_00136 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00137 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00138 29,47,67,69,73,74,81,88,89,90,94,102,106,109,112,113,114,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00139 39,40,48,51,52,55,58,59,60,61,64,67,69,73,81,88,93,94,95,97,102,105,106,112,113,119,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0425_00140 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00141 37,49,52,57,62,65,70,72,75,77,80,82,83,85,89,91,92,94,95,96,97,98,106,109,110,111,113,117,119,120,121,122,124,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00142 29,48,51,55,58,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00143 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0425_00144 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00145 24,29,47,49,56,63,67,69,70,71,73,81,88,89,90,94,95,102,104,106,109,111,112,113,114,115,117,119,122,124,126,127,130,133,135,140,141,142,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00146 38,52,53,54,57,62,65,72,75,77,79,80,82,83,84,89,90,91,92,94,95,96,97,109,110,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0425_00147 25,52,62,65,75,77,79,80,83,94,96,105,106,120,121,122,124,133,135,137,142,144,148,149,150,151,156,158,160,161,162,163,165 +0425_00148 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0425_00149 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00150 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00151 37,43,66,74,77,106,110,112,117,125,131,133,135,141,142,145,149,151,154,156,158,160,161,162,163,164,165 +0425_00152 32,33,36,37,43,47,52,65,67,70,77,79,80,81,83,88,94,96,106,110,117,120,121,124,130,131,133,135,137,142,151,154,156,158,161,162,163,164,165 +0425_00153 19,62,66,75,85,86,93,100,108,111,112,113,114,115,116,118,121,122,127,128,129,137,138,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0425_00154 74,92,97,110,113,117,125,126,127,133,135,141,143,144,145,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00155 28,29,51,55,58,60,61,66,67,73,74,81,88,102,106,109,112,114,116,124,126,128,130,132,136,138,140,141,146,148,149,153,155,157,159,160,164 +0425_00156 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00157 37,52,54,65,66,69,74,75,77,79,80,84,89,92,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,131,133,135,136,137,141,142,143,144,148,149,150,151,154,156,159,160,161,162,163,164,165 +0425_00158 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00159 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,117,120,121,123,124,125,126,130,131,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00160 25,32,33,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,113,117,120,121,123,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00161 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00162 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00163 38,62,65,66,74,77,78,79,83,92,95,96,97,98,105,110,112,117,119,120,121,123,125,127,131,136,137,139,141,142,143,144,145,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00164 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,114,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00165 38,62,66,74,77,78,79,83,92,93,95,96,97,110,112,117,119,120,121,123,126,127,136,137,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00166 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00167 29,62,74,75,83,85,86,89,90,91,92,95,96,97,100,102,110,111,112,114,117,118,121,122,123,124,126,128,129,130,132,136,137,138,139,140,141,145,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00168 57,65,66,72,74,79,80,83,85,86,89,90,91,92,93,96,97,98,100,104,105,109,110,112,113,114,115,117,120,121,122,123,125,127,128,131,132,136,137,138,139,140,141,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00169 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00170 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0425_00171 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00172 13,21,24,30,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,112,115,119,122,124,128,129,130,131,132,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00173 8,11,36,53,54,66,74,79,81,84,88,90,92,95,97,104,110,111,112,117,123,131,132,133,136,137,139,140,141,142,146,149,150,151,154,155,156,157,158,159,160,161,164,165 +0425_00174 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,92,94,97,98,102,106,110,112,117,120,121,124,125,130,131,133,135,136,137,142,145,146,148,151,154,156,158,159,160,161,162,163,164,165 +0425_00175 28,29,38,43,48,65,69,72,75,77,79,80,83,84,85,95,96,98,100,102,104,105,106,109,112,115,116,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,148,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00176 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0425_00177 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,140,142,146,148,149,151,152,154,156,158,159,160,161,162,163,164,165 +0425_00178 34,39,40,48,51,53,55,58,60,61,66,67,69,73,74,88,92,97,99,102,104,106,110,111,112,115,117,124,130,131,132,136,139,140,146,148,149,151,153,154,155,156,158,159,160,161,164 +0425_00179 57,72,74,83,89,96,98,101,105,109,112,116,120,123,132,137,139,140,141,146,149,152,153,154,157,159,160,163,164,165 +0425_00180 62,74,75,80,85,86,89,92,98,100,104,109,110,111,113,114,115,117,118,121,122,123,125,126,127,128,129,131,132,133,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00181 38,62,65,75,77,79,83,85,93,96,100,105,111,114,115,120,121,122,123,125,128,129,137,139,141,142,144,145,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00182 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,92,94,97,98,102,106,110,112,117,120,121,124,125,130,131,133,135,136,137,141,142,145,146,148,149,151,154,156,158,159,160,161,162,163,164,165 +0425_00183 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,88,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,163,164,165 +0425_00184 37,65,77,80,98,106,110,113,117,120,121,127,137,142,143,151,154,156,161,162,163,164,165 +0425_00185 32,33,36,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,86,88,91,93,94,96,97,98,100,102,104,105,106,108,109,111,112,114,115,116,117,118,120,121,122,124,126,127,128,129,130,131,132,133,136,137,138,140,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00186 39,40,48,51,55,58,60,61,67,69,73,82,88,90,91,92,100,102,104,106,108,110,111,112,116,117,118,124,130,131,132,136,138,139,140,146,147,148,151,153,154,155,156,158,159,160,161,164 +0425_00187 53,57,62,66,72,83,89,90,91,93,96,98,104,105,108,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00188 62,105,118,123,125,129,139,145,147,154,157,159,160,162,163,164,165 +0425_00189 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00190 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,74,77,79,80,81,85,86,88,89,92,93,94,95,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00191 57,65,66,71,79,80,83,89,92,93,94,96,97,102,110,112,113,114,115,116,117,120,121,124,126,127,133,135,137,140,141,142,143,144,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00192 25,32,33,36,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,83,88,89,93,94,96,97,98,102,106,110,112,113,117,120,121,123,124,126,127,130,131,133,135,136,137,140,141,142,143,144,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00193 24,52,65,69,70,71,75,77,79,80,83,94,95,96,97,102,105,113,117,120,121,122,124,127,130,137,139,142,143,148,156,161,162,163,164,165 +0425_00194 53,89,91,108,113,114,115,116,118,127,129,131,132,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0425_00195 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,142,148,149,151,156,158,159,160,161,162,163,164,165 +0425_00196 34,50,66,74,76,99,105,112,115,116,123,125,139,141,144,145,147,149,150,154,157,159,160,162,163,164,165 +0425_00197 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00198 38,62,65,66,74,77,78,79,83,86,92,93,95,96,97,98,109,110,112,115,117,119,120,121,123,126,127,131,136,137,139,140,141,142,143,144,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00199 37,38,47,52,59,64,65,66,74,75,77,79,80,81,83,85,86,88,93,94,95,96,97,106,108,109,110,112,114,117,120,121,122,123,124,126,129,132,136,137,138,141,142,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00200 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0425_00201 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0425_00202 57,83,89,92,96,97,110,117,133,135,137,144,150,151,152,154,156,158,159,160,161,162,163,164,165 +0425_00203 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00204 52,66,69,74,92,94,95,110,112,114,117,122,124,125,136,141,142,145,148,149,151,154,155,156,158,159,160,161,162,163,164,165 +0425_00205 83,89,90,91,92,96,99,105,110,117,121,127,129,136,137,143,151,154,156,158,159,161,163,164,165 +0425_00206 52,66,69,74,92,93,94,95,110,112,113,117,122,124,125,126,127,136,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00207 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0425_00208 66,72,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00209 28,39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,97,100,102,104,106,109,110,111,112,114,115,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00210 23,24,51,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00211 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,84,88,94,96,97,102,106,112,117,120,121,124,125,130,136,137,142,144,145,146,148,150,151,152,156,159,160,161,162,163,164,165 +0425_00212 62,66,74,90,91,104,108,112,113,114,115,116,118,127,128,129,131,132,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0425_00213 23,52,53,54,62,65,66,69,74,79,80,86,90,91,92,93,94,95,97,98,100,104,106,110,111,112,117,121,122,123,124,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00214 23,72,82,92,95,100,106,108,110,114,117,123,126,131,133,135,136,142,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00215 72,74,85,92,95,110,117,122,123,133,135,136,139,146,148,149,154,156,157,158,159,160,161,162,163,164,165 +0425_00216 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0425_00217 24,49,51,55,56,58,59,60,61,63,64,67,70,71,73,81,88,89,93,94,97,102,112,118,119,122,124,127,130,132,133,135,136,140,143,144,145,146,147,148,150,152,154,156,158,159,160,161,162,163,164,165 +0425_00218 23,52,62,68,69,74,93,94,95,97,106,110,113,117,123,124,125,126,127,131,133,135,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00219 37,43,74,77,84,106,110,117,131,133,135,142,149,151,154,156,158,160,161,162,163,164,165 +0425_00220 32,33,51,55,57,58,60,61,67,69,73,83,85,86,88,89,93,94,96,97,100,102,105,106,109,111,112,113,114,115,116,117,118,122,124,125,126,127,128,129,130,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00221 23,52,57,62,66,69,72,75,83,89,92,94,95,96,97,106,110,112,113,117,120,121,122,123,124,125,126,127,133,135,136,137,140,142,143,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00222 23,32,33,51,54,55,57,58,59,60,61,64,67,72,73,74,80,81,83,84,86,88,89,90,91,94,95,96,100,101,102,104,105,106,108,109,110,111,112,115,117,120,122,123,124,125,126,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00223 23,36,37,47,53,54,65,74,77,79,81,83,85,86,88,90,91,92,93,95,96,97,100,104,106,109,110,111,115,117,120,121,122,123,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00224 54,66,72,91,96,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00225 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0425_00226 50,54,76,79,84,90,92,95,97,99,104,110,111,114,116,117,123,126,127,131,132,133,136,139,140,141,142,143,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00227 25,43,53,54,74,77,78,79,82,84,90,91,92,95,97,100,104,106,110,111,113,117,118,119,123,127,129,131,132,136,138,139,140,142,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00228 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,141,142,143,145,146,148,149,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00229 34,50,53,62,76,89,91,99,108,113,114,115,116,118,127,129,131,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0425_00230 50,57,66,74,76,82,89,90,91,98,99,105,108,109,112,113,114,115,116,118,127,129,131,137,139,141,143,144,145,146,147,149,152,153,155,157,159,160,162,163,164,165 +0425_00231 38,47,53,54,59,64,65,73,77,79,80,81,83,88,96,98,105,120,121,131,137,142,151,156,161,162,163,165 +0425_00232 36,47,59,64,65,73,81,83,88,96,105,106,120,121,137,151,156,161,162,163,165 +0425_00233 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,141,142,148,149,151,156,158,159,160,161,162,163,164,165 +0425_00234 72,89,93,99,113,125,126,127,131,132,136,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0425_00235 43,47,53,64,66,73,77,80,81,88,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,128,129,131,136,137,141,142,143,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00236 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00237 25,47,49,52,59,64,65,70,74,77,79,80,81,88,93,94,98,106,119,120,121,124,130,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0425_00238 23,43,47,54,73,77,79,81,88,93,97,106,110,117,123,126,131,133,135,136,140,142,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00239 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00240 29,48,50,67,73,76,81,88,89,93,99,102,106,112,123,124,126,130,140,141,146,148,149,154,157,159,160,164 +0425_00241 13,24,30,49,71,79,85,86,89,91,92,94,95,97,100,102,104,110,111,112,114,116,117,122,124,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00242 50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00243 57,62,66,72,83,89,90,91,96,98,99,104,105,108,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00244 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00245 36,38,50,65,75,76,77,79,81,83,85,88,90,96,99,100,111,114,115,116,118,120,121,122,123,128,129,131,136,137,139,140,142,144,146,147,148,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00246 19,50,57,74,76,85,86,93,99,100,104,105,109,111,113,115,116,122,123,125,132,137,138,139,144,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0425_00247 54,74,90,91,92,95,104,108,110,111,116,117,118,123,129,131,136,139,145,146,147,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00248 24,37,41,43,71,77,78,79,80,82,89,90,92,93,94,95,97,100,102,106,110,114,117,119,124,126,131,136,142,146,149,151,153,154,155,156,157,158,159,160,161,164 +0425_00249 29,47,67,69,73,74,76,81,82,88,89,93,94,99,100,102,106,108,112,114,117,123,124,126,130,140,141,146,148,149,151,152,153,154,155,156,157,158,159,160,161,164 +0425_00250 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0425_00251 53,54,66,72,74,80,82,84,86,89,90,91,92,93,95,97,100,104,108,109,110,111,112,113,115,116,117,118,126,127,128,129,131,132,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00252 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,102,104,106,108,109,110,111,112,114,115,117,122,124,126,128,130,132,133,135,136,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00253 36,39,40,48,51,55,58,60,61,67,69,73,81,83,85,86,88,89,92,93,95,96,97,102,104,106,108,109,110,111,112,115,117,122,124,126,128,130,132,133,135,136,137,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00254 53,54,57,72,84,89,90,91,95,97,98,99,104,105,108,112,118,120,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,147,149,150,151,152,154,156,157,158,159,160,161,163,164,165 +0425_00255 22,45,54,66,74,76,84,86,88,90,91,92,95,99,104,110,111,112,115,117,118,123,128,129,131,136,138,139,140,142,146,147,149,150,151,153,154,155,156,157,158,159,160,161,164,165 +0425_00256 26,50,53,57,66,72,74,76,83,89,90,91,93,96,98,99,105,108,109,112,116,120,123,126,127,128,131,132,137,139,140,141,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0425_00257 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0425_00258 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00259 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0425_00260 52,57,66,69,74,92,94,95,98,105,108,109,110,112,113,116,117,118,122,124,125,132,136,137,141,142,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00261 47,52,62,64,66,69,75,77,78,79,80,81,83,88,92,93,94,95,96,97,106,110,112,117,119,120,121,122,124,125,127,133,135,137,142,143,145,148,149,150,151,154,156,158,160,161,162,163,164,165 +0425_00262 24,71,78,79,89,92,93,94,95,97,102,108,109,110,113,117,119,124,125,126,127,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00263 23,54,74,79,92,95,106,110,117,123,126,131,136,141,142,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00264 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,74,77,80,81,85,86,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00265 22,50,76,89,90,91,99,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0425_00266 28,72,85,86,89,91,92,93,95,100,109,110,114,115,117,122,123,126,128,133,135,136,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00267 72,85,86,92,93,95,108,109,110,111,114,115,117,122,123,126,133,135,136,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00268 39,40,48,51,55,58,60,61,67,69,73,74,85,88,89,92,97,102,104,106,108,110,111,112,117,122,124,130,132,133,135,136,139,140,146,148,149,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00269 53,54,57,72,89,91,98,109,114,123,126,127,131,137,139,140,143,146,150,152,153,154,155,157,159,160,163,164,165 +0425_00270 72,90,91,108,113,114,115,116,118,123,126,127,128,129,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 +0425_00271 32,33,36,45,47,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00272 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0425_00273 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,139,140,142,143,144,145,146,150,152,154,156,157,159,160,161,162,163,164,165 +0425_00274 13,24,30,49,51,55,58,59,60,61,64,67,71,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00275 24,25,43,49,52,57,63,70,71,77,78,79,82,83,86,90,91,93,94,96,97,100,102,106,108,109,117,119,122,124,128,129,130,131,132,137,138,142,146,147,148,151,153,155,156,157,158,159,160,161,164,165 +0425_00276 36,72,81,83,85,86,88,92,93,95,96,109,110,111,115,117,122,123,126,133,135,136,137,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00277 28,39,40,48,51,52,55,58,60,61,65,67,69,73,75,77,79,80,83,85,88,89,92,94,96,97,100,102,104,106,108,110,111,112,117,120,121,122,124,129,130,132,133,135,136,137,138,139,140,142,144,146,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00278 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,100,102,104,106,108,109,110,111,112,115,116,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00279 72,85,86,91,92,93,95,100,108,109,110,111,115,116,117,122,123,126,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00280 25,37,43,53,65,74,77,80,82,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00281 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00282 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0425_00283 38,52,53,65,69,77,79,80,83,92,94,96,97,98,105,110,113,117,120,121,124,127,131,137,142,143,151,154,156,161,162,163,164,165 +0425_00284 25,37,43,53,65,77,80,82,90,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,138,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00285 19,36,47,62,78,79,80,81,83,88,91,92,95,96,100,104,105,110,111,117,118,119,120,121,127,129,132,135,137,142,143,144,145,147,151,153,154,156,158,161,162,163,164,165 +0425_00286 25,28,38,43,65,72,74,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,113,117,120,121,122,123,126,127,129,131,132,133,135,136,137,138,139,140,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00287 38,52,62,65,77,79,80,92,94,95,97,98,110,113,117,120,121,124,125,127,137,142,143,144,145,150,151,154,156,160,161,162,163,164,165 +0425_00288 25,65,74,77,80,85,86,90,91,92,93,97,98,106,108,110,113,114,115,116,117,118,120,121,122,127,133,135,137,141,142,143,144,147,148,149,150,151,154,155,156,158,160,161,162,163,164,165 +0425_00289 25,43,65,77,80,82,90,91,92,97,98,100,106,108,110,113,114,115,116,117,118,120,121,127,131,133,135,137,141,142,143,144,147,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00290 25,37,43,53,65,74,77,80,97,98,106,110,113,117,120,121,127,131,133,135,137,141,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00291 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00292 47,52,59,64,65,66,74,77,79,80,81,88,92,93,94,95,97,98,106,110,112,113,117,120,121,124,127,137,141,142,143,144,149,150,151,154,156,160,161,162,163,164,165 +0425_00293 25,37,43,53,65,74,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00294 25,37,43,53,65,66,74,77,80,84,97,98,106,110,112,113,117,120,121,127,131,133,135,137,141,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00295 50,72,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,139,141,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00296 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,131,132,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00297 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00298 54,66,72,90,91,96,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00299 53,54,66,74,79,82,90,91,92,93,95,97,100,104,108,110,111,112,115,116,117,123,126,128,129,131,132,136,139,140,141,142,146,147,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00300 53,54,57,66,72,89,96,98,105,108,112,115,116,118,123,126,127,128,129,131,132,136,137,139,140,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00301 54,57,66,72,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,123,126,127,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00302 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0425_00303 66,90,91,96,104,105,108,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,157,159,160,163,164,165 diff --git a/processed_data/0425/0425_fingerprints_maccs_isomeric_success.tsv b/processed_data/0425/0425_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..ab34fe09e --- /dev/null +++ b/processed_data/0425/0425_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,304 @@ +id bits.on +0425_00001 123,139,154,157,159,162,163,164,165 +0425_00002 53,89,113,123,127,131,139,143,144,146,150,152,154,157,159,162,163,164,165 +0425_00003 24,49,56,63,70,71,80,89,94,95,102,113,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,150,152,156,157,158,159,161,162,163,164,165 +0425_00004 25,43,52,65,69,77,79,80,83,84,94,96,106,120,121,124,131,133,135,137,142,151,156,158,161,162,165 +0425_00005 108,113,114,115,116,118,127,128,129,139,143,147,152,155,157,160,162,163,164,165 +0425_00006 37,43,54,62,66,77,79,83,89,92,95,96,97,106,110,112,117,120,121,125,127,131,136,137,142,143,145,150,151,154,156,158,159,161,162,163,164,165 +0425_00007 29,47,67,69,81,88,89,92,93,94,102,106,110,112,117,124,126,130,136,141,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00008 32,33,36,47,51,52,55,58,59,60,61,64,65,67,69,73,77,79,80,81,83,84,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,164,165 +0425_00009 53,54,66,74,82,89,90,95,100,104,109,112,113,116,127,131,132,138,139,141,143,144,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00010 51,55,58,59,60,61,64,67,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00011 37,43,53,66,74,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,129,131,136,137,141,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00012 41,52,65,66,74,75,77,79,80,83,94,96,100,111,112,120,121,122,124,137,141,142,148,149,153,155,156,158,160,161,162,163,165 +0425_00013 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00014 37,43,53,66,77,80,89,90,92,97,98,106,110,112,114,116,117,120,121,127,131,136,137,142,143,146,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00015 33,36,55,58,60,61,67,69,73,74,75,77,80,81,88,89,92,94,97,98,102,105,106,110,112,117,120,121,122,124,127,130,135,136,137,142,143,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00016 24,68,69,71,72,90,92,94,102,104,109,110,111,113,114,115,116,117,118,124,126,127,131,132,139,143,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00017 32,33,51,55,58,59,60,61,64,67,69,73,81,82,84,88,89,90,94,95,97,100,102,104,106,111,112,113,114,115,116,117,118,123,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00018 75,79,85,86,90,91,92,95,98,100,110,111,114,115,116,117,118,121,122,128,129,133,135,137,138,141,142,144,145,147,148,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00019 37,43,53,66,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,129,131,136,137,141,142,143,146,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00020 37,38,52,62,65,69,70,75,77,79,80,83,85,94,96,97,100,105,106,109,110,113,114,117,120,121,122,123,124,125,126,127,128,130,131,137,138,139,142,143,144,145,146,148,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00021 16,19,22,37,57,75,77,84,85,97,101,105,106,110,117,120,121,122,125,135,137,142,144,145,148,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00022 37,54,66,72,74,77,82,85,86,89,90,95,97,100,104,106,109,110,112,113,114,116,117,122,126,127,131,132,133,135,136,138,139,140,141,142,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00023 65,79,82,85,86,91,92,98,100,104,105,108,109,110,111,113,114,115,116,117,118,121,122,125,126,127,129,132,137,138,141,142,143,145,147,148,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00024 29,67,73,81,88,92,93,102,104,106,108,110,111,112,116,117,124,126,130,132,141,146,148,149,151,153,154,155,156,157,158,159,160,161,164 +0425_00025 28,39,40,47,48,51,52,55,58,60,61,62,65,67,69,73,75,79,80,83,85,86,88,92,93,94,95,96,97,100,102,104,106,108,110,112,113,115,117,120,121,122,124,127,130,132,133,135,136,137,139,140,141,142,143,144,146,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00026 90,91,108,114,115,118,123,128,129,139,147,149,154,155,157,159,160,164 +0425_00027 32,33,36,51,55,58,59,60,61,64,67,69,73,81,82,83,84,88,94,96,98,100,102,104,105,106,108,111,112,114,115,117,120,124,127,129,130,131,133,136,137,140,142,143,144,146,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0425_00028 57,83,89,91,96,105,123,131,132,136,137,139,140,146,147,150,152,154,157,159,163,164,165 +0425_00029 57,65,66,83,89,90,91,95,96,98,104,105,108,109,112,114,116,120,121,123,128,129,131,132,137,139,144,145,146,147,149,151,152,153,154,155,156,157,159,160,161,162,163,164,165 +0425_00030 62,90,104,123,125,132,136,139,145,146,147,152,154,155,157,159,162,163,164,165 +0425_00031 113,123,125,126,127,139,143,145,146,152,154,157,159,160,162,163,164,165 +0425_00032 53,54,82,89,95,100,104,111,113,115,116,125,127,129,131,132,139,140,143,145,146,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00033 54,82,93,95,100,104,110,111,113,115,116,117,125,126,127,129,131,132,133,135,139,140,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00034 66,82,84,90,91,100,104,112,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,163,164,165 +0425_00035 66,74,90,91,108,109,112,113,115,116,118,123,126,127,132,139,141,143,144,146,147,149,150,152,153,154,155,157,159,160,162,163,164,165 +0425_00036 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0425_00037 62,75,83,85,92,96,100,105,110,117,121,122,123,125,127,133,135,136,137,139,143,144,145,146,148,150,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00038 38,52,62,65,66,69,70,75,77,78,79,80,83,85,92,94,95,96,97,100,105,110,111,112,114,115,116,117,118,119,120,121,122,124,125,127,128,129,130,137,142,143,144,145,147,148,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00039 123,125,136,139,145,146,152,154,157,159,160,162,163,164,165 +0425_00040 53,97,123,125,131,133,135,139,144,145,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00041 75,79,85,86,90,91,92,93,95,98,100,108,110,111,115,116,117,118,121,122,129,133,135,137,141,142,144,145,147,148,149,150,151,153,154,156,158,160,161,162,163,164,165 +0425_00042 53,84,89,113,123,127,131,133,135,139,143,144,146,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00043 93,105,113,115,116,125,126,127,132,143,145,147,149,152,154,155,157,159,160,162,163,164,165 +0425_00044 24,32,33,49,51,55,56,58,60,61,63,67,69,70,71,73,88,93,94,95,97,102,106,112,113,117,119,122,124,125,126,127,130,133,135,136,140,142,143,144,145,146,148,150,151,152,156,157,158,159,160,161,162,163,164,165 +0425_00045 54,82,84,95,100,104,113,127,131,132,139,143,151,152,153,155,157,158,159,161,162,163,164,165 +0425_00046 52,62,75,80,83,89,92,94,95,96,97,110,113,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,139,142,143,145,146,147,148,150,152,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00047 37,43,53,66,77,80,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,128,129,131,136,137,141,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00048 37,43,53,62,66,77,80,89,90,92,97,98,106,110,112,114,117,120,121,127,131,136,137,142,143,145,146,150,151,154,155,156,158,159,160,161,162,163,164,165 +0425_00049 52,62,75,80,83,89,92,94,95,96,97,110,114,115,116,117,118,120,121,122,124,125,127,133,135,136,137,142,143,145,147,148,150,154,155,156,158,159,160,161,162,163,164,165 +0425_00050 29,54,69,84,86,90,91,93,95,102,104,111,112,115,116,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,160,161,164 +0425_00051 36,47,65,81,83,88,89,90,91,92,96,97,98,106,109,110,111,113,114,117,120,121,125,126,127,132,136,137,142,143,145,146,147,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00052 32,33,51,55,58,59,60,61,62,64,67,69,73,75,81,83,84,85,86,88,89,94,95,96,97,100,102,106,111,112,113,117,118,121,122,123,124,125,126,127,130,131,133,135,136,137,138,139,140,142,143,144,145,146,147,148,150,151,152,153,154,156,157,158,159,161,162,163,164,165 +0425_00053 54,79,82,91,92,95,100,104,108,110,111,114,115,116,117,131,133,135,141,142,144,147,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00054 32,33,51,55,58,59,60,61,64,67,73,81,86,88,94,100,102,106,108,111,112,114,115,117,118,122,123,124,128,129,130,136,138,139,140,146,147,148,149,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00055 36,62,75,81,83,85,86,88,95,96,98,100,105,109,111,113,118,120,121,122,125,126,127,128,129,131,132,137,138,139,140,143,144,145,146,147,148,150,152,153,154,155,157,158,159,161,162,163,164,165 +0425_00056 53,89,99,113,125,127,131,139,143,145,146,152,157,159,162,163,164,165 +0425_00057 66,84,90,101,105,112,116,128,145,151,156,158,160,161,163,165 +0425_00058 32,33,36,51,55,58,59,60,61,67,69,73,81,83,88,89,92,94,96,102,105,106,110,112,117,120,121,124,127,130,136,137,143,144,146,148,151,154,156,158,159,161,162,163,164,165 +0425_00059 53,84,89,92,97,110,113,117,127,131,139,143,144,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00060 53,54,82,86,89,90,91,95,100,104,109,111,113,118,125,126,127,128,129,131,132,138,139,140,143,144,145,146,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0425_00061 34,37,43,53,66,77,80,89,90,91,92,97,98,99,106,110,112,114,115,116,117,120,121,127,128,129,131,136,137,142,143,146,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00062 32,33,51,54,55,58,60,61,67,69,73,74,82,88,93,94,95,100,102,104,106,112,116,117,124,130,131,132,133,135,136,139,141,142,146,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00063 32,33,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,106,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,136,137,138,140,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00064 36,81,83,88,96,123,136,137,139,146,152,154,157,159,160,162,163,164,165 +0425_00065 36,37,47,52,65,66,74,77,79,80,81,83,85,88,93,94,96,97,106,110,112,117,120,121,122,124,133,135,137,141,142,148,149,151,154,156,158,160,161,162,164,165 +0425_00066 53,54,66,74,82,89,95,100,104,112,113,116,127,131,132,139,141,143,146,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00067 36,38,47,62,65,77,79,83,88,96,105,120,121,137,142,151,156,161,162,163,165 +0425_00068 53,59,64,81,88,123,131,139,144,150,154,157,159,162,163,164,165 +0425_00069 84,90,91,104,108,111,114,115,116,118,129,147,149,151,155,156,158,160,161 +0425_00070 32,33,51,55,57,58,60,61,65,67,69,71,73,80,83,84,88,94,96,97,102,104,105,106,111,112,117,120,121,124,130,132,136,137,142,146,148,151,152,153,155,156,159,161,162,163,164,165 +0425_00071 26,50,66,72,76,82,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00072 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00073 54,66,72,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,157,159,160,162,163,164,165 +0425_00074 66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0425_00075 26,50,66,76,90,91,96,99,104,105,108,112,114,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00076 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0425_00077 66,91,96,105,108,112,113,115,116,118,127,128,129,132,139,143,144,145,147,150,152,154,157,159,160,162,163,164,165 +0425_00078 39,40,48,55,58,60,61,67,69,73,88,90,102,106,109,112,114,124,126,130,136,139,140,146,148,153,155,157,159,160,164 +0425_00079 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00080 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00081 23,93,105,106,110,113,117,123,125,126,127,143,145,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00082 89,90,91,92,98,104,108,110,111,115,117,121,127,129,131,132,136,137,139,140,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00083 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00084 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,136,148,151,156,159,160,161,162,163,164,165 +0425_00085 19,34,50,57,66,76,83,89,90,91,96,99,101,104,105,112,123,127,128,129,131,132,136,137,139,140,143,145,146,147,150,152,154,157,159,160,163,164,165 +0425_00086 66,74,112,113,125,127,131,139,143,145,149,152,157,159,160,162,163,164,165 +0425_00087 34,50,57,72,76,83,89,93,96,98,99,105,109,113,116,120,125,126,127,132,137,140,141,143,144,145,146,149,150,152,153,154,157,159,160,162,163,164,165 +0425_00088 104,105,123,125,132,139,145,154,155,157,159,162,163,164,165 +0425_00089 24,49,56,63,70,71,80,89,91,94,95,102,113,114,115,119,122,124,127,130,133,135,136,139,140,142,143,144,146,148,149,150,152,155,156,157,158,159,160,161,162,163,164,165 +0425_00090 62,113,125,127,139,143,144,145,150,152,157,162,163,164,165 +0425_00091 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00092 32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,94,102,106,112,117,124,130,136,148,151,156,159,161,162,163,164,165 +0425_00093 33,39,40,43,48,55,58,60,61,67,69,73,88,90,91,94,102,104,106,111,112,117,118,124,129,130,131,133,136,139,146,147,148,151,156,158,159,161,163,164,165 +0425_00094 37,74,77,85,86,93,106,110,117,122,133,135,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00095 37,43,53,65,77,80,89,97,98,106,110,113,117,120,121,127,131,136,137,142,143,146,151,154,156,159,161,162,163,164,165 +0425_00096 29,32,33,48,51,55,58,59,60,61,64,67,69,73,81,84,88,93,94,102,106,112,113,117,124,126,127,130,136,140,143,146,148,149,151,152,156,157,159,160,161,162,163,164,165 +0425_00097 39,40,48,51,55,58,59,60,61,64,67,69,73,81,88,102,105,106,112,124,125,130,136,139,145,146,148,159,162,163,164,165 +0425_00098 24,49,56,62,63,70,71,80,89,91,94,95,102,113,118,119,122,124,127,129,130,133,135,136,139,140,142,143,144,145,146,147,148,150,152,156,157,158,159,161,162,163,164,165 +0425_00099 62,65,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0425_00100 52,65,69,70,77,79,80,83,94,96,105,120,121,124,130,137,142,151,156,160,161,162,163,165 +0425_00101 66,74,112,113,115,127,139,141,143,149,152,155,157,160,162,163,164,165 +0425_00102 25,37,43,53,77,78,80,84,97,106,110,117,119,131,142,151,154,156,158,161,164 +0425_00103 17,34,37,66,75,77,80,85,89,90,92,93,97,98,99,106,108,110,112,114,116,117,120,121,122,127,136,137,141,142,143,146,148,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00104 29,48,65,67,73,79,81,88,92,95,97,98,102,106,109,110,112,113,114,117,120,121,124,126,127,128,130,137,138,142,143,146,148,149,153,155,156,157,159,160,161,162,163,164,165 +0425_00105 82,90,91,104,109,118,123,131,132,139,146,147,153,154,155,157,159,164 +0425_00106 26,50,66,72,76,90,91,96,99,105,108,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00107 66,74,112,113,127,139,141,143,144,149,150,152,157,160,162,163,164,165 +0425_00108 29,32,33,51,55,58,59,60,61,64,67,69,73,74,81,82,88,94,100,102,104,106,111,112,117,124,126,130,136,138,140,141,146,147,148,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00109 74,104,111,115,125,131,133,135,141,142,145,149,151,155,156,158,160,161,162,163,165 +0425_00110 25,43,65,77,79,83,84,96,105,106,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0425_00111 24,49,56,63,66,70,71,74,80,89,94,95,102,112,113,119,122,124,127,130,133,135,136,139,140,141,142,143,144,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0425_00112 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00113 39,40,48,51,55,58,59,60,61,64,67,73,81,88,102,106,108,109,112,114,115,116,118,124,126,128,129,130,132,136,146,147,148,153,155,157,159,160,162,163,164,165 +0425_00114 36,37,43,47,65,77,80,81,83,88,93,96,97,105,106,110,117,120,121,131,133,135,137,142,151,154,156,158,160,161,162,163,164,165 +0425_00115 37,43,77,90,91,104,106,108,110,111,115,116,117,118,129,131,133,135,142,145,147,150,151,154,156,158,160,161,162,163,164,165 +0425_00116 37,62,65,75,77,80,85,89,90,91,92,96,97,98,104,105,106,110,111,113,117,118,120,121,122,127,129,133,136,137,142,143,144,145,147,148,150,151,154,156,158,159,161,162,163,164,165 +0425_00117 23,32,33,51,55,58,59,60,61,64,67,69,73,81,84,88,89,93,94,102,106,110,112,117,123,124,126,130,131,133,135,136,140,142,146,148,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00118 39,40,48,51,52,53,55,58,59,60,61,64,67,69,73,81,88,92,94,95,97,102,105,106,110,112,113,117,119,124,125,127,130,131,133,135,136,139,140,142,143,144,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00119 113,123,125,126,127,139,143,145,146,152,154,157,159,162,163,164,165 +0425_00120 38,57,62,65,77,79,83,95,96,105,120,121,137,142,151,152,156,161,162,163,164,165 +0425_00121 36,57,76,81,88,89,91,92,97,98,99,108,109,110,116,117,120,132,133,135,137,138,145,147,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00122 36,51,55,57,58,60,61,67,73,76,81,88,89,91,92,97,98,99,102,108,109,110,112,116,117,120,124,127,130,132,133,135,136,137,138,140,143,145,146,147,148,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00123 54,79,82,86,91,92,95,100,104,110,111,114,116,117,131,132,133,135,138,141,142,144,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00124 23,90,97,106,109,110,113,114,117,123,125,126,127,131,133,135,136,140,142,143,145,146,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00125 23,93,97,106,110,113,117,123,125,126,127,131,133,135,136,140,142,143,145,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00126 26,50,66,76,90,91,96,99,104,105,108,112,116,118,127,128,129,132,139,143,145,147,150,152,154,157,159,160,163,164,165 +0425_00127 23,25,43,65,77,79,83,93,96,97,105,106,110,117,120,121,123,126,131,133,135,137,142,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00128 22,65,66,77,80,90,93,97,98,112,113,120,121,125,126,127,137,139,142,143,145,152,157,159,160,161,162,163,164,165 +0425_00129 29,38,48,52,65,67,73,77,79,80,81,83,88,92,94,95,96,97,98,102,105,106,109,110,112,113,114,117,120,121,122,123,124,126,127,128,130,137,138,140,141,142,143,144,146,148,149,150,153,154,155,156,157,159,160,161,162,163,164,165 +0425_00130 37,74,77,85,86,93,106,110,113,117,122,125,126,127,133,135,141,142,143,145,146,148,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00131 17,26,50,66,76,90,91,96,99,104,105,108,112,114,118,127,128,129,132,139,143,145,147,150,152,154,155,157,159,160,163,164,165 +0425_00132 23,57,66,72,74,83,89,93,96,105,106,110,112,113,117,123,126,127,131,137,139,140,141,143,144,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00133 36,37,47,65,77,80,81,83,85,88,93,96,97,105,106,110,117,120,121,122,133,135,137,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00134 24,32,33,49,51,55,56,58,59,60,61,63,64,67,69,70,71,73,79,80,81,84,85,86,88,94,97,100,102,106,108,111,112,114,115,117,118,119,122,124,128,129,130,133,135,136,138,140,142,144,146,147,148,149,150,151,153,155,156,158,159,160,161,162,163,164,165 +0425_00135 47,52,59,64,65,66,69,74,75,77,79,80,81,84,88,92,93,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,133,135,137,141,142,143,144,148,149,150,151,154,156,160,161,162,163,164,165 +0425_00136 29,48,59,64,69,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00137 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00138 29,47,67,69,73,74,81,88,89,90,94,102,106,109,112,113,114,117,123,124,126,127,130,140,141,143,144,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00139 39,40,48,51,52,55,58,59,60,61,64,67,69,73,81,88,93,94,95,97,102,105,106,112,113,119,124,125,126,127,130,131,133,135,136,139,140,142,143,144,145,146,148,149,150,152,156,157,158,159,160,161,162,163,164,165 +0425_00140 8,11,19,36,47,54,66,74,79,81,83,84,85,88,92,95,96,97,105,110,112,113,117,120,121,122,123,127,131,133,136,137,139,140,142,143,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00141 37,49,52,57,62,65,70,72,75,77,80,82,83,85,89,91,92,94,95,96,97,98,106,109,110,111,113,117,119,120,121,122,124,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00142 29,48,51,55,58,59,60,61,64,67,69,73,74,81,88,90,93,94,102,106,109,112,113,114,117,124,126,127,130,136,140,141,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00143 33,36,39,40,48,55,57,58,60,61,67,69,73,76,88,89,92,94,97,98,99,102,106,110,112,117,120,121,124,127,130,136,137,140,143,146,148,151,152,154,156,157,158,159,160,161,163,164,165 +0425_00144 37,74,77,85,86,93,106,110,117,122,133,135,141,142,148,149,151,154,156,158,160,161,162,163,164,165 +0425_00145 24,29,47,49,56,63,67,69,70,71,73,81,88,89,90,94,95,102,104,106,109,111,112,113,114,115,117,119,122,124,126,127,130,133,135,140,141,142,143,144,146,148,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00146 38,52,53,54,57,62,65,72,75,77,79,80,82,83,84,89,90,91,92,94,95,96,97,109,110,117,120,121,122,124,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,164,165 +0425_00147 25,52,62,65,75,77,79,80,83,94,96,105,106,120,121,122,124,133,135,137,142,144,148,149,150,151,156,158,160,161,162,163,165 +0425_00148 38,52,62,65,69,75,77,79,80,84,92,94,95,97,98,110,113,117,120,121,122,124,125,127,130,133,135,137,142,143,144,145,148,150,151,154,156,160,161,162,163,164,165 +0425_00149 25,33,39,40,48,55,58,60,61,65,67,73,74,77,80,81,82,86,88,92,93,94,97,98,100,102,106,108,110,112,113,114,115,116,117,118,120,121,122,124,126,127,130,133,135,136,137,141,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00150 54,66,72,74,82,90,95,97,100,104,105,109,112,113,116,126,127,128,129,131,132,138,139,140,141,143,144,145,146,149,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00151 37,43,66,74,77,106,110,112,117,125,131,133,135,141,142,145,149,151,154,156,158,160,161,162,163,164,165 +0425_00152 32,33,36,37,43,47,52,65,67,70,77,79,80,81,83,88,94,96,106,110,117,120,121,124,130,131,133,135,137,142,151,154,156,158,161,162,163,164,165 +0425_00153 19,62,66,75,85,86,93,100,108,111,112,113,114,115,116,118,121,122,127,128,129,137,138,139,143,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0425_00154 74,92,97,110,113,117,125,126,127,133,135,141,143,144,145,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00155 28,29,51,55,58,60,61,66,67,73,74,81,88,102,106,109,112,114,116,124,126,128,130,132,136,138,140,141,146,148,149,153,155,157,159,160,164 +0425_00156 32,33,37,43,51,53,55,58,59,60,61,64,65,67,69,73,74,77,80,81,88,89,94,97,98,102,106,110,112,117,121,124,125,130,131,133,135,136,137,141,142,144,145,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00157 37,52,54,65,66,69,74,75,77,79,80,84,89,92,94,95,97,98,106,110,112,113,117,120,121,122,124,127,130,131,133,135,136,137,141,142,143,144,148,149,150,151,154,156,159,160,161,162,163,164,165 +0425_00158 23,82,90,95,100,104,106,109,110,111,113,114,117,123,125,126,127,128,132,138,140,143,145,146,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00159 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,117,120,121,123,124,125,126,130,131,133,135,136,137,140,141,142,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00160 25,32,33,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,93,94,97,98,102,106,110,112,113,117,120,121,123,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00161 26,50,53,76,89,90,91,99,104,105,108,114,115,116,123,126,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00162 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00163 38,62,65,66,74,77,78,79,83,92,95,96,97,98,105,110,112,117,119,120,121,123,125,127,131,136,137,139,141,142,143,144,145,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00164 38,62,65,66,74,77,78,79,83,92,95,96,97,98,110,112,114,117,119,120,121,123,127,131,136,137,139,141,142,143,144,146,149,150,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00165 38,62,66,74,77,78,79,83,92,93,95,96,97,110,112,117,119,120,121,123,126,127,136,137,141,142,143,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00166 25,32,33,37,43,51,55,58,60,61,65,67,69,73,77,80,88,89,91,92,93,94,97,98,102,104,106,110,111,112,113,117,120,121,123,124,125,126,127,130,131,132,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00167 29,62,74,75,83,85,86,89,90,91,92,95,96,97,100,102,110,111,112,114,117,118,121,122,123,124,126,128,129,130,132,136,137,138,139,140,141,145,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00168 57,65,66,72,74,79,80,83,85,86,89,90,91,92,93,96,97,98,100,104,105,109,110,112,113,114,115,117,120,121,122,123,125,127,128,131,132,136,137,138,139,140,141,142,143,144,145,146,148,149,150,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00169 38,52,62,65,69,70,74,77,79,80,83,85,91,92,94,95,96,100,108,110,111,114,115,116,117,118,120,121,122,123,124,125,128,129,130,131,132,136,137,139,141,142,144,145,146,147,148,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00170 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0425_00171 54,72,74,82,90,95,97,100,104,109,113,116,123,126,127,131,132,138,139,140,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00172 13,21,24,30,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,112,115,119,122,124,128,129,130,131,132,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00173 8,11,36,53,54,66,74,79,81,84,88,90,92,95,97,104,110,111,112,117,123,131,132,133,136,137,139,140,141,142,146,149,150,151,154,155,156,157,158,159,160,161,164,165 +0425_00174 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,92,94,97,98,102,106,110,112,117,120,121,124,125,130,131,133,135,136,137,142,145,146,148,151,154,156,158,159,160,161,162,163,164,165 +0425_00175 28,29,38,43,48,65,69,72,75,77,79,80,83,84,85,95,96,98,100,102,104,105,106,109,112,115,116,120,121,122,124,126,129,130,131,132,133,135,137,138,139,140,142,146,148,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00176 50,54,76,79,84,90,92,95,97,99,104,109,110,111,114,116,117,123,126,127,128,131,132,133,136,140,141,142,143,146,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0425_00177 32,33,38,51,55,57,58,59,60,61,64,65,67,69,71,73,77,81,83,88,92,94,95,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,140,142,146,148,149,151,152,154,156,158,159,160,161,162,163,164,165 +0425_00178 34,39,40,48,51,53,55,58,60,61,66,67,69,73,74,88,92,97,99,102,104,106,110,111,112,115,117,124,130,131,132,136,139,140,146,148,149,151,153,154,155,156,158,159,160,161,164 +0425_00179 57,72,74,83,89,96,98,101,105,109,112,116,120,123,132,137,139,140,141,146,149,152,153,154,157,159,160,163,164,165 +0425_00180 62,74,75,80,85,86,89,92,98,100,104,109,110,111,113,114,115,117,118,121,122,123,125,126,127,128,129,131,132,133,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00181 38,62,65,75,77,79,83,85,93,96,100,105,111,114,115,120,121,122,123,125,128,129,137,139,141,142,144,145,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00182 25,32,33,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,92,94,97,98,102,106,110,112,117,120,121,124,125,130,131,133,135,136,137,141,142,145,146,148,149,151,154,156,158,159,160,161,162,163,164,165 +0425_00183 32,33,36,47,51,55,58,59,60,61,64,65,67,69,73,77,81,83,88,92,94,96,97,102,106,110,112,117,120,121,124,130,131,133,135,136,137,142,146,148,151,154,156,158,159,160,161,162,163,164,165 +0425_00184 37,65,77,80,98,106,110,113,117,120,121,127,137,142,143,151,154,156,161,162,163,164,165 +0425_00185 32,33,36,51,55,58,59,60,61,64,67,69,73,75,79,81,82,83,84,86,88,91,93,94,96,97,98,100,102,104,105,106,108,109,111,112,114,115,116,117,118,120,121,122,124,126,127,128,129,130,131,132,133,136,137,138,140,142,143,144,146,147,148,149,150,151,153,155,156,157,158,159,160,161,162,163,164,165 +0425_00186 39,40,48,51,55,58,60,61,67,69,73,82,88,90,91,92,100,102,104,106,108,110,111,112,116,117,118,124,130,131,132,136,138,139,140,146,147,148,151,153,154,155,156,158,159,160,161,164 +0425_00187 53,57,62,66,72,83,89,90,91,93,96,98,104,105,108,112,115,116,118,120,123,126,127,128,129,131,132,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00188 62,105,118,123,125,129,139,145,147,154,157,159,160,162,163,164,165 +0425_00189 52,62,65,75,79,80,83,92,93,94,95,96,97,110,113,117,120,121,122,124,127,133,135,136,137,142,143,144,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0425_00190 25,32,33,37,43,47,51,55,58,59,60,61,64,65,67,69,73,74,77,79,80,81,85,86,88,89,92,93,94,95,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00191 57,65,66,71,79,80,83,89,92,93,94,96,97,102,110,112,113,114,115,116,117,120,121,124,126,127,133,135,137,140,141,142,143,144,146,149,150,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00192 25,32,33,36,37,38,43,51,55,58,59,60,61,64,65,67,69,73,77,80,81,83,88,89,93,94,96,97,98,102,106,110,112,113,117,120,121,123,124,126,127,130,131,133,135,136,137,140,141,142,143,144,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00193 24,52,65,69,70,71,75,77,79,80,83,94,95,96,97,102,105,113,117,120,121,122,124,127,130,137,139,142,143,148,156,161,162,163,164,165 +0425_00194 53,89,91,108,113,114,115,116,118,127,129,131,132,139,143,144,146,147,150,152,154,155,157,159,160,162,163,164,165 +0425_00195 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,142,148,149,151,156,158,159,160,161,162,163,164,165 +0425_00196 34,50,66,74,76,99,105,112,115,116,123,125,139,141,144,145,147,149,150,154,157,159,160,162,163,164,165 +0425_00197 19,37,54,72,75,77,84,85,97,105,106,110,117,121,122,125,127,131,135,137,139,142,143,144,145,146,148,150,151,152,154,156,157,158,159,161,162,163,164,165 +0425_00198 38,62,65,66,74,77,78,79,83,86,92,93,95,96,97,98,109,110,112,115,117,119,120,121,123,126,127,131,136,137,139,140,141,142,143,144,146,149,150,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00199 37,38,47,52,59,64,65,66,74,75,77,79,80,81,83,85,86,88,93,94,95,96,97,106,108,109,110,112,114,117,120,121,122,123,124,126,129,132,136,137,138,141,142,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00200 53,82,90,91,97,98,100,104,111,118,121,123,129,131,137,139,145,147,151,153,154,156,157,158,159,161,162,163,164,165 +0425_00201 89,93,113,125,126,127,139,143,144,145,146,150,152,154,157,159,160,162,163,164,165 +0425_00202 57,83,89,92,96,97,110,117,133,135,137,144,150,151,152,154,156,158,159,160,161,162,163,164,165 +0425_00203 23,72,74,97,106,109,110,113,114,117,123,126,127,133,135,138,140,141,143,144,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00204 52,66,69,74,92,94,95,110,112,114,117,122,124,125,136,141,142,145,148,149,151,154,155,156,158,159,160,161,162,163,164,165 +0425_00205 83,89,90,91,92,96,99,105,110,117,121,127,129,136,137,143,151,154,156,158,159,161,163,164,165 +0425_00206 52,66,69,74,92,93,94,95,110,112,113,117,122,124,125,126,127,136,141,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00207 50,57,66,74,76,89,90,91,98,99,105,108,112,113,114,115,116,118,123,127,129,131,137,139,140,141,143,144,145,146,147,149,152,154,155,157,159,160,162,163,164,165 +0425_00208 66,72,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00209 28,39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,97,100,102,104,106,109,110,111,112,114,115,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00210 23,24,51,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,117,119,123,124,126,130,136,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00211 32,33,51,55,57,58,59,60,61,62,64,65,67,69,71,73,81,83,84,88,94,96,97,102,106,112,117,120,121,124,125,130,136,137,142,144,145,146,148,150,151,152,156,159,160,161,162,163,164,165 +0425_00212 62,66,74,90,91,104,108,112,113,114,115,116,118,127,128,129,131,132,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0425_00213 23,52,53,54,62,65,66,69,74,79,80,86,90,91,92,93,94,95,97,98,100,104,106,110,111,112,117,121,122,123,124,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00214 23,72,82,92,95,100,106,108,110,114,117,123,126,131,133,135,136,142,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00215 72,74,85,92,95,110,117,122,123,133,135,136,139,146,148,149,154,156,157,158,159,160,161,162,163,164,165 +0425_00216 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0425_00217 24,49,51,55,56,58,59,60,61,63,64,67,70,71,73,81,88,89,93,94,97,102,112,118,119,122,124,127,130,132,133,135,136,140,143,144,145,146,147,148,150,152,154,156,158,159,160,161,162,163,164,165 +0425_00218 23,52,62,68,69,74,93,94,95,97,106,110,113,117,123,124,125,126,127,131,133,135,141,142,143,144,145,146,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00219 37,43,74,77,84,106,110,117,131,133,135,142,149,151,154,156,158,160,161,162,163,164,165 +0425_00220 32,33,51,55,57,58,60,61,67,69,73,83,85,86,88,89,93,94,96,97,100,102,105,106,109,111,112,113,114,115,116,117,118,122,124,125,126,127,128,129,130,132,133,135,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00221 23,52,57,62,66,69,72,75,83,89,92,94,95,96,97,106,110,112,113,117,120,121,122,123,124,125,126,127,133,135,136,137,140,142,143,145,146,148,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00222 23,32,33,51,54,55,57,58,59,60,61,64,67,72,73,74,80,81,83,84,86,88,89,90,91,94,95,96,100,101,102,104,105,106,108,109,110,111,112,115,117,120,122,123,124,125,126,127,128,129,130,131,132,133,135,136,137,138,139,140,142,143,145,146,147,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00223 23,36,37,47,53,54,65,74,77,79,81,83,85,86,88,90,91,92,93,95,96,97,100,104,106,109,110,111,115,117,120,121,122,123,125,126,129,131,132,136,137,138,139,140,141,142,145,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00224 54,66,72,91,96,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00225 16,19,22,26,50,57,66,76,83,93,96,99,105,108,112,115,116,118,120,123,126,127,128,129,132,136,137,140,141,143,145,146,147,149,152,154,157,159,160,163,164,165 +0425_00226 50,54,76,79,84,90,92,95,97,99,104,110,111,114,116,117,123,126,127,131,132,133,136,139,140,141,142,143,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00227 25,43,53,54,74,77,78,79,82,84,90,91,92,95,97,100,104,106,110,111,113,117,118,119,123,127,129,131,132,136,138,139,140,142,143,146,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00228 32,33,37,38,51,55,58,59,60,61,64,65,67,69,73,77,80,81,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,124,125,126,127,130,131,133,135,136,137,140,141,142,143,145,146,148,149,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00229 34,50,53,62,76,89,91,99,108,113,114,115,116,118,127,129,131,139,141,143,144,145,147,149,150,152,155,157,159,160,162,163,164,165 +0425_00230 50,57,66,74,76,82,89,90,91,98,99,105,108,109,112,113,114,115,116,118,127,129,131,137,139,141,143,144,145,146,147,149,152,153,155,157,159,160,162,163,164,165 +0425_00231 38,47,53,54,59,64,65,73,77,79,80,81,83,88,96,98,105,120,121,131,137,142,151,156,161,162,163,165 +0425_00232 36,47,59,64,65,73,81,83,88,96,105,106,120,121,137,151,156,161,162,163,165 +0425_00233 33,55,58,60,61,67,69,73,74,77,81,86,88,93,94,102,106,112,117,122,124,130,133,135,136,141,142,148,149,151,156,158,159,160,161,162,163,164,165 +0425_00234 72,89,93,99,113,125,126,127,131,132,136,139,140,143,144,145,146,149,150,152,154,155,157,159,160,162,163,164,165 +0425_00235 43,47,53,64,66,73,77,80,81,88,89,90,91,92,97,98,106,108,110,112,114,115,116,117,120,121,127,128,129,131,136,137,141,142,143,147,149,150,151,154,155,156,158,159,160,161,163,164,165 +0425_00236 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00237 25,47,49,52,59,64,65,70,74,77,79,80,81,88,93,94,98,106,119,120,121,124,130,133,135,137,141,142,149,151,156,158,160,161,162,163,165 +0425_00238 23,43,47,54,73,77,79,81,88,93,97,106,110,117,123,126,131,133,135,136,140,142,144,146,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00239 21,24,38,43,45,49,51,56,57,60,61,63,67,70,71,73,74,76,77,79,82,83,85,86,88,89,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,136,137,138,140,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0425_00240 29,48,50,67,73,76,81,88,89,93,99,102,106,112,123,124,126,130,140,141,146,148,149,154,157,159,160,164 +0425_00241 13,24,30,49,71,79,85,86,89,91,92,94,95,97,100,102,104,110,111,112,114,116,117,122,124,132,133,135,138,141,142,144,148,149,150,151,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00242 50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,157,159,160,163,164,165 +0425_00243 57,62,66,72,83,89,90,91,96,98,99,104,105,108,112,114,115,116,118,120,123,127,128,129,131,132,136,137,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0425_00244 53,66,82,86,90,91,93,97,100,104,112,113,115,118,126,127,128,129,131,132,139,143,145,147,149,151,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00245 36,38,50,65,75,76,77,79,81,83,85,88,90,96,99,100,111,114,115,116,118,120,121,122,123,128,129,131,136,137,139,140,142,144,146,147,148,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00246 19,50,57,74,76,85,86,93,99,100,104,105,109,111,113,115,116,122,123,125,132,137,138,139,144,145,146,147,148,149,152,153,154,155,157,158,159,160,161,162,163,164,165 +0425_00247 54,74,90,91,92,95,104,108,110,111,116,117,118,123,129,131,136,139,145,146,147,149,151,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00248 24,37,41,43,71,77,78,79,80,82,89,90,92,93,94,95,97,100,102,106,110,114,117,119,124,126,131,136,142,146,149,151,153,154,155,156,157,158,159,160,161,164 +0425_00249 29,47,67,69,73,74,76,81,82,88,89,93,94,99,100,102,106,108,112,114,117,123,124,126,130,140,141,146,148,149,151,152,153,154,155,156,157,158,159,160,161,164 +0425_00250 74,82,84,90,91,100,104,108,115,123,131,132,139,149,151,153,154,155,157,158,159,160,161,164 +0425_00251 53,54,66,72,74,80,82,84,86,89,90,91,92,93,95,97,100,104,108,109,110,111,112,113,115,116,117,118,126,127,128,129,131,132,136,138,139,140,141,142,143,144,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00252 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,102,104,106,108,109,110,111,112,114,115,117,122,124,126,128,130,132,133,135,136,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00253 36,39,40,48,51,55,58,60,61,67,69,73,81,83,85,86,88,89,92,93,95,96,97,102,104,106,108,109,110,111,112,115,117,122,124,126,128,130,132,133,135,136,137,138,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00254 53,54,57,72,84,89,90,91,95,97,98,99,104,105,108,112,118,120,123,126,127,128,129,131,132,133,136,137,139,140,141,143,145,146,147,149,150,151,152,154,156,157,158,159,160,161,163,164,165 +0425_00255 22,45,54,66,74,76,84,86,88,90,91,92,95,99,104,110,111,112,115,117,118,123,128,129,131,136,138,139,140,142,146,147,149,150,151,153,154,155,156,157,158,159,160,161,164,165 +0425_00256 26,50,53,57,66,72,74,76,83,89,90,91,93,96,98,99,105,108,109,112,116,120,123,126,127,128,131,132,137,139,140,141,143,145,146,149,150,152,153,154,157,159,160,163,164,165 +0425_00257 24,28,54,57,66,71,72,74,78,85,86,89,90,91,93,94,95,97,98,102,104,108,109,111,112,114,115,116,119,120,122,123,124,126,127,129,131,132,133,137,138,139,140,141,142,143,145,146,147,148,149,150,152,153,154,155,156,157,158,159,160,161,163,164,165 +0425_00258 23,24,51,55,58,60,61,67,71,73,78,79,81,88,93,94,95,97,102,106,110,112,117,119,123,124,126,130,136,140,141,142,146,148,149,151,154,156,157,158,159,160,161,164 +0425_00259 37,52,65,69,75,77,78,79,80,90,94,95,98,100,106,110,111,115,117,119,120,121,122,124,127,130,133,137,142,143,145,148,150,151,153,154,156,158,160,161,162,163,164,165 +0425_00260 52,57,66,69,74,92,94,95,98,105,108,109,110,112,113,116,117,118,122,124,125,132,136,137,141,142,144,145,146,147,148,149,150,151,152,153,154,156,157,158,159,160,161,162,163,164,165 +0425_00261 47,52,62,64,66,69,75,77,78,79,80,81,83,88,92,93,94,95,96,97,106,110,112,117,119,120,121,122,124,125,127,133,135,137,142,143,145,148,149,150,151,154,156,158,160,161,162,163,164,165 +0425_00262 24,71,78,79,89,92,93,94,95,97,102,108,109,110,113,117,119,124,125,126,127,141,142,143,144,145,146,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00263 23,54,74,79,92,95,106,110,117,123,126,131,136,141,142,146,149,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00264 25,32,33,37,43,51,55,58,59,60,61,64,65,67,69,73,74,77,80,81,85,86,88,89,92,93,94,97,98,102,106,110,112,113,117,120,121,122,124,125,126,127,130,131,133,135,136,137,140,141,142,143,144,145,146,148,149,150,151,154,156,157,158,159,160,161,162,163,164,165 +0425_00265 22,50,76,89,90,91,99,123,127,131,132,136,139,140,143,146,150,152,154,157,159,163,164,165 +0425_00266 28,72,85,86,89,91,92,93,95,100,109,110,114,115,117,122,123,126,128,133,135,136,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00267 72,85,86,92,93,95,108,109,110,111,114,115,117,122,123,126,133,135,136,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00268 39,40,48,51,55,58,60,61,67,69,73,74,85,88,89,92,97,102,104,106,108,110,111,112,117,122,124,130,132,133,135,136,139,140,146,148,149,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00269 53,54,57,72,89,91,98,109,114,123,126,127,131,137,139,140,143,146,150,152,153,154,155,157,159,160,163,164,165 +0425_00270 72,90,91,108,113,114,115,116,118,123,126,127,128,129,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 +0425_00271 32,33,36,45,47,51,53,55,58,59,60,61,65,67,73,75,76,77,79,81,83,88,89,92,93,94,95,96,97,98,99,102,105,106,110,112,117,120,121,122,124,127,130,131,133,135,136,137,139,140,142,143,144,145,146,148,149,150,151,152,154,156,157,158,159,160,161,162,163,164,165 +0425_00272 57,89,91,98,105,113,115,123,125,127,132,136,137,139,140,143,144,145,146,150,152,154,155,157,159,160,162,163,164,165 +0425_00273 41,50,65,76,77,80,89,92,93,97,98,99,110,113,117,120,121,123,125,126,127,137,139,140,142,143,144,145,146,150,152,154,156,157,159,160,161,162,163,164,165 +0425_00274 13,24,30,49,51,55,58,59,60,61,64,67,71,73,75,79,81,82,83,84,85,86,88,89,90,91,92,93,94,96,97,100,102,108,110,111,112,113,114,116,117,118,121,122,124,126,127,128,129,130,131,132,133,135,136,137,138,140,141,142,143,144,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00275 24,25,43,49,52,57,63,70,71,77,78,79,82,83,86,90,91,93,94,96,97,100,102,106,108,109,117,119,122,124,128,129,130,131,132,137,138,142,146,147,148,151,153,155,156,157,158,159,160,161,164,165 +0425_00276 36,72,81,83,85,86,88,92,93,95,96,109,110,111,115,117,122,123,126,133,135,136,137,139,140,141,144,146,148,149,150,153,154,155,156,157,158,159,160,161,162,164,165 +0425_00277 28,39,40,48,51,52,55,58,60,61,65,67,69,73,75,77,79,80,83,85,88,89,92,94,96,97,100,102,104,106,108,110,111,112,117,120,121,122,124,129,130,132,133,135,136,137,138,139,140,142,144,146,148,149,150,153,154,155,156,158,159,160,161,162,163,164,165 +0425_00278 39,40,48,51,55,58,60,61,67,69,73,85,86,88,89,92,93,95,97,100,102,104,106,108,109,110,111,112,115,116,117,122,124,126,128,129,130,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00279 72,85,86,91,92,93,95,100,108,109,110,111,115,116,117,122,123,126,132,133,135,136,138,139,140,141,144,146,147,148,149,150,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00280 25,37,43,53,65,74,77,80,82,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00281 32,33,38,51,52,55,58,59,60,61,62,64,65,67,73,75,77,79,80,81,83,85,86,88,92,93,94,95,96,97,98,100,102,105,106,108,109,110,111,112,113,114,115,116,117,118,120,121,122,124,125,126,127,129,130,136,137,138,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00282 25,38,43,53,65,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,111,113,117,120,121,122,127,129,131,133,135,137,138,139,142,143,146,147,148,151,153,154,155,156,157,158,159,161,162,163,164,165 +0425_00283 38,52,53,65,69,77,79,80,83,92,94,96,97,98,105,110,113,117,120,121,124,127,131,137,142,143,151,154,156,161,162,163,164,165 +0425_00284 25,37,43,53,65,77,80,82,90,97,98,100,106,110,113,114,117,120,121,127,131,133,135,137,138,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00285 19,36,47,62,78,79,80,81,83,88,91,92,95,96,100,104,105,110,111,117,118,119,120,121,127,129,132,135,137,142,143,144,145,147,151,153,154,156,158,161,162,163,164,165 +0425_00286 25,28,38,43,65,72,74,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,100,105,106,109,110,113,117,120,121,122,123,126,127,129,131,132,133,135,136,137,138,139,140,142,143,146,148,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00287 38,52,62,65,77,79,80,92,94,95,97,98,110,113,117,120,121,124,125,127,137,142,143,144,145,150,151,154,156,160,161,162,163,164,165 +0425_00288 25,65,74,77,80,85,86,90,91,92,93,97,98,106,108,110,113,114,115,116,117,118,120,121,122,127,133,135,137,141,142,143,144,147,148,149,150,151,154,155,156,158,160,161,162,163,164,165 +0425_00289 25,43,65,77,80,82,90,91,92,97,98,100,106,108,110,113,114,115,116,117,118,120,121,127,131,133,135,137,141,142,143,144,147,149,150,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00290 25,37,43,53,65,74,77,80,97,98,106,110,113,117,120,121,127,131,133,135,137,141,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00291 25,37,43,53,65,66,74,77,80,82,97,98,100,106,110,112,113,114,117,120,121,127,131,133,135,137,141,142,143,149,151,153,154,155,156,158,160,161,162,163,164,165 +0425_00292 47,52,59,64,65,66,74,77,79,80,81,88,92,93,94,95,97,98,106,110,112,113,117,120,121,124,127,137,141,142,143,144,149,150,151,154,156,160,161,162,163,164,165 +0425_00293 25,37,43,53,65,74,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00294 25,37,43,53,65,66,74,77,80,84,97,98,106,110,112,113,117,120,121,127,131,133,135,137,141,142,143,149,151,154,156,158,160,161,162,163,164,165 +0425_00295 50,72,74,76,85,86,93,95,99,100,109,111,113,114,115,116,122,125,126,127,132,138,139,141,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0425_00296 26,50,66,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,131,132,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00297 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00298 54,66,72,90,91,96,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,146,147,150,152,154,157,159,160,162,163,164,165 +0425_00299 53,54,66,74,79,82,90,91,92,93,95,97,100,104,108,110,111,112,115,116,117,123,126,128,129,131,132,136,139,140,141,142,146,147,149,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0425_00300 53,54,57,66,72,89,96,98,105,108,112,115,116,118,123,126,127,128,129,131,132,136,137,139,140,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0425_00301 54,57,66,72,89,90,91,93,95,97,98,104,108,111,112,114,115,116,120,123,126,127,131,132,133,136,137,139,140,141,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,163,164,165 +0425_00302 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0425_00303 66,90,91,96,104,105,108,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,157,159,160,163,164,165 diff --git a/processed_data/0425/0425_fingerprints_pubchem_canonical_success.tsv b/processed_data/0425/0425_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..99fab92e3 --- /dev/null +++ b/processed_data/0425/0425_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,304 @@ +id bits.on +0425_00001 10,11,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711 +0425_00002 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0425_00003 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0425_00004 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0425_00005 10,11,12,19,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0425_00006 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0425_00007 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0425_00008 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,375,376,380,391,393,394,413,415,419,421,422,423,440,444,451,452,458,460,468,469,480,487,490,509,512,518,520,561,597,636,644,648,655 +0425_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0425_00010 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0425_00011 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,689,693,698,709,710,711,712 +0425_00012 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0425_00013 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0425_00014 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,709,711,712 +0425_00015 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0425_00016 10,11,12,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,347,352,353,356,357,367,371,372,375,382,383,385,394,396,406,417,421,431,435,440,442,444,447,452,471,477,491,499,515,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,615,619,620,621,627,633,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0425_00017 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0425_00018 10,11,12,13,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0425_00019 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,709,710,711,712,713 +0425_00020 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,399,404,406,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,487,488,491,494,496,500,503,505,507,516,517,518,520,521,522,523,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,613,614,618,619,620,624,625,629,634,635,637,638,639,641,642,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,714,738,756,759,771,777,801,819,822,834 +0425_00021 10,11,12,15,16,19,20,116,119,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,406,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0425_00022 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0425_00023 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,385,386,387,388,391,392,393,394,397,404,406,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,570,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,613,614,615,619,620,621,624,627,629,633,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,704,705,709,710,711,713,759,822 +0425_00024 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0425_00025 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,301,309,333,341,345,352,353,356,358,359,366,369,371,372,375,377,378,382,385,388,391,392,397,409,415,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,458,459,460,465,468,469,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0425_00026 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0425_00027 10,11,12,15,16,19,20,21,34,35,144,147,179,185,256,257,284,285,286,294,300,306,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,375,384,385,391,393,394,413,415,417,422,431,435,442,447,458,460,465,466,471,472,480,481,484,491,501,508,514,521,525,529,532,533,541,550,553,557,565,571,583,587,593,596,600,608,609,614,629,634,635,641,644,657,659,661,669,679,680,689,709,710,711 +0425_00028 10,11,12,19,20,21,144,147,151,154,284,285,287,309,333,334,336,340,342,345,347,353,367,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,699,700,705,709,710,711,713,799,819,820 +0425_00029 10,11,12,13,15,19,20,144,146,147,179,180,185,186,256,257,258,284,285,286,287,300,309,333,334,338,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,496,507,517,521,524,525,528,531,536,539,546,549,550,553,556,557,565,567,571,574,575,577,578,579,580,582,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,618,619,620,629,634,635,638,640,641,642,643,656,657,658,660,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,735,759,798,822 +0425_00030 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,661,665,669,672,673,678,679,680,681,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,714,777 +0425_00031 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,736,799 +0425_00032 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0425_00033 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,442,447,449,450,452,465,471,477,491,496,499,503,517,521,525,529,541,542,543,544,546,547,549,550,553,557,565,566,567,571,572,574,575,579,583,585,586,588,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,668,669,678,679,680,681,683,684,689,690,691,697,699,702,709,710,711,715,738,764,778,801,827 +0425_00034 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0425_00035 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0425_00036 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0425_00037 10,11,12,13,15,19,20,144,149,150,179,180,186,187,256,258,284,285,286,287,309,333,334,336,341,345,346,352,353,356,357,366,371,372,375,377,378,381,385,391,392,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,624,629,634,635,638,641,642,646,647,656,657,658,661,665,666,669,672,673,678,679,680,681,684,685,686,689,690,693,697,698,699,705,709,710,711,713,717,756,780,819 +0425_00038 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0425_00039 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0425_00040 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0425_00041 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0425_00042 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0425_00043 10,11,12,19,20,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0425_00044 10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0425_00045 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0425_00046 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,309,333,334,336,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,407,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,499,503,516,517,519,521,525,536,542,543,546,547,549,550,553,557,565,571,574,575,579,580,581,583,585,586,589,591,593,594,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,690,693,709,710,722,785 +0425_00047 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,689,693,709,710,711,712,713 +0425_00048 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0425_00049 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0425_00050 10,11,15,19,20,21,31,284,285,286,287,293,300,309,315,333,339,341,345,346,349,352,353,366,375,381,394,407,411,412,421,426,441,444,453,457,529,536,537,567,580,618,638,644 +0425_00051 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,300,333,334,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,377,382,383,385,388,391,393,394,397,404,406,413,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,490,491,492,496,499,503,507,508,517,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,587,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,651,652,656,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,715,778 +0425_00052 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,377,378,381,382,383,384,385,391,392,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0425_00053 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,537,541,546,547,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0425_00054 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0425_00055 10,11,12,13,15,19,20,21,34,144,147,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,287,294,309,333,334,342,345,346,347,352,353,354,356,357,366,367,371,372,382,383,384,385,386,391,392,406,407,413,417,421,422,431,433,435,442,444,447,471,472,477,481,491,494,499,501,508,514,517,521,525,532,533,536,541,542,543,549,553,554,557,565,566,567,571,574,575,579,580,583,585,587,590,591,593,595,596,598,600,604,605,607,609,614,615,616,618,619,620,621,624,627,633,635,638,641,642,652,656,657,659,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,742,758,778,805,821 +0425_00056 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0425_00057 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689,697,698,709,710,711,712,798 +0425_00058 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0425_00059 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0425_00060 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0425_00061 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,417,421,435,440,442,444,447,452,491,517,536,557,561,580,581,583,589,593,594,600,614,637,641,646,648,651,655,680,684,685,689,693,709,710,711,712,713 +0425_00062 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,385,391,393,394,407,415,417,431,435,438,442,447,450,458,460,465,471,491,503,517,521,525,529,541,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,593,596,600,601,604,608,609,614,618,619,620,634,635,638,641,642,644,656,657,660,661,665,666,668,669,678,679,680,681,684,689,690,692,697,699,704,709,710,711,717,780 +0425_00063 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0425_00064 10,11,12,19,20,34,144,147,179,180,256,257,258,284,285,287,294,309,333,334,336,342,345,350,353,354,356,357,369,371,372,375,381,384,385,407,413,417,421,422,431,433,435,441,442,444,447,453,471,472,481,491,494,501,508,514,517,521,525,532,533,536,553,554,557,565,571,579,580,583,585,587,596,598,600,604,609,618,619,624,635,638,641,642,656,659,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0425_00065 10,11,12,15,16,17,19,34,144,146,147,256,257,284,285,286,287,294,300,301,333,334,335,345,352,354,359,366,375,376,380,391,392,393,394,413,419,421,422,423,443,451,452,468,481,487,490,508,509,516,518,520,529,539,541,561,587,637,645,647,648 +0425_00066 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,736,741,799,804 +0425_00067 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00068 10,11,19,20,34,179,180,256,284,285,287,294,309,333,334,345,353,354,356,357,371,372,381,384,385,407,414,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,532,533,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00069 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0425_00070 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,342,345,350,352,353,354,356,357,358,359,369,371,372,377,382,383,385,386,388,396,415,417,419,421,424,431,432,433,435,438,442,443,444,447,450,455,458,460,465,466,471,491,494,499,515,517,521,524,525,531,536,539,540,542,543,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,652,653,656,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,757,820 +0425_00071 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0425_00072 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0425_00073 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0425_00074 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0425_00075 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0425_00076 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0425_00077 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0425_00078 10,19,20,21,34,284,285,287,309,345,347,353,367,375,409,459,460 +0425_00079 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00080 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0425_00081 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0425_00082 10,11,12,15,19,20,21,179,180,181,182,186,284,285,286,287,300,309,333,334,336,340,342,345,347,352,353,367,375,391,393,394,407,421,433,440,444,452,536,572,580,582,583,593,614,618,638,643,644,646,651,657,680,681,684,685,689,690,692,693,694,695,696,697,698,699,703,705,706,709,710,711,798 +0425_00083 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0425_00084 10,11,15,19,20,34,179,180,256,284,285,294,300,306,333,334,345,354,356,357,371,372,375,384,385,415,417,431,435,442,447,458,460,466,471,484,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0425_00085 10,11,12,13,19,20,21,144,145,147,151,152,158,179,180,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,572,574,580,582,583,595,600,615,618,620,638,640,641,643,661,667,668,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0425_00086 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0425_00087 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0425_00088 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,345,353,356,357,371,372,381,385,386,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,756,798,819 +0425_00089 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,336,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713,722,738,750,757,764,785,801,813,820,827 +0425_00090 10,11,12,19,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0425_00091 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0425_00092 10,11,15,19,20,34,179,180,256,284,285,294,300,306,333,345,354,356,371,372,384,385,415,417,435,442,447,458,460,466,471,484,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 +0425_00093 10,11,15,19,20,34,179,180,284,285,286,300,306,309,333,339,341,345,346,352,366,394,409,459,460,529,583,593,644,680,684 +0425_00094 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,341,345,352,356,366,371,372,375,376,377,378,385,391,392,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684 +0425_00095 10,15,16,19,20,179,181,182,256,257,286,287,300,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,561,573,637,648,651 +0425_00096 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,287,294,300,306,315,333,342,345,353,354,356,367,371,372,375,382,383,384,385,408,412,415,417,435,442,447,458,460,466,471,484,491,499,517,521,525,532,533,542,543,549,553,557,565,571,574,575,579,583,585,596,600,604,607,609,619,620,635,638,641,642,652,656,661,665,669,678,679,680,681,690,721,784 +0425_00097 10,11,12,19,20,34,179,180,186,187,256,258,284,285,294,309,333,334,345,354,356,357,371,372,384,385,386,409,415,417,431,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,697,709,710,711,713,716,737,756,779,800,819 +0425_00098 10,11,12,15,16,19,20,21,179,180,186,187,256,284,285,286,287,302,309,333,334,336,341,342,345,352,353,356,357,371,372,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,713,722,738,750,757,764,785,801,813,820,827 +0425_00099 10,11,12,13,15,19,20,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,494,496,503,507,517,521,524,525,531,536,539,540,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,700,705,709,710,711,713,759,822 +0425_00100 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0425_00101 10,11,12,19,179,180,256,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0425_00102 10,15,16,17,19,286,287,300,376,391,394,419,421,451,452,454,488 +0425_00103 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,366,375,376,391,392,393,394,417,418,421,428,435,440,442,444,447,452,461,491,517,536,541,557,561,580,581,583,589,593,594,600,614,637,641,646,647,648,651,655,709,710,711,712,713 +0425_00104 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,345,346,347,352,353,359,366,367,371,373,374,375,377,382,388,391,397,404,408,412,417,419,436,443,446,447,448,450,454,462,473,483,486,492,496,498,500,503,507,517,522,540,541,543,544,547,548,567,570,578,612,657,660 +0425_00105 10,11,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,618,638,682,687 +0425_00106 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,353,375,407,417,421,431,433,442,444,463,491,499,525,536,538,554,557,580,583,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,861 +0425_00107 10,11,12,13,19,179,180,256,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,735,757,778,798,820 +0425_00108 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,286,287,294,300,306,315,333,340,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,384,385,394,408,412,415,417,435,442,447,458,460,466,471,484,491,517,521,525,529,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,644,661,665,669,678,679,680 +0425_00109 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,336,339,341,345,346,352,356,366,371,372,375,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,709,710,729,792 +0425_00110 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00111 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,712,713,722,738,750,757,764,785,801,813,820,827 +0425_00112 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00113 10,11,12,13,19,20,34,179,180,256,284,285,287,294,333,345,347,353,354,356,367,371,372,375,384,385,415,417,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,689,690,697,699 +0425_00114 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0425_00115 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,336,339,341,345,346,352,356,366,371,372,375,376,377,378,385,391,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,822 +0425_00116 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0425_00117 10,11,12,15,16,19,20,21,34,179,180,256,284,285,286,287,294,300,306,333,341,345,352,354,356,367,371,372,375,377,378,381,384,385,394,406,415,417,421,435,438,442,447,450,452,453,458,460,465,466,471,484,491,503,517,521,525,532,533,546,547,550,553,557,560,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,726,789 +0425_00118 10,11,12,13,15,16,19,20,21,22,34,35,179,180,186,187,193,194,256,258,260,284,285,286,287,294,300,301,309,333,334,341,342,345,352,353,354,356,357,371,372,375,377,378,382,383,384,385,386,391,393,394,407,409,415,417,421,423,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,482,491,496,499,503,517,521,525,532,533,534,542,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,630,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,716,717,736,737,738,742,747,756,757,759,764,768,779,780,799,800,801,805,810,819,820,822,827,831 +0425_00119 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,624,627,633,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,693,699,700,705,709,710,711,736,799 +0425_00120 10,11,12,15,16,19,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,360,367,371,372,376,377,378,380,382,385,387,388,390,391,393,394,397,400,401,404,406,410,417,419,421,432,433,435,437,438,439,442,443,444,447,449,450,451,454,462,465,471,473,477,483,485,486,488,489,491,494,495,496,499,500,503,505,507,517,520,521,524,525,528,531,536,537,539,540,542,543,546,547,548,549,550,553,554,556,557,561,565,566,567,570,571,573,574,575,577,579,580,583,585,586,590,593,595,596,597,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,657,658,660,661,665,666,667,669,672,673,675,678,679,680,681,684,685,692,696,703,771,834 +0425_00121 10,11,12,15,19,20,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 +0425_00122 10,11,12,15,19,20,21,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,415,417,421,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 +0425_00123 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,529,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00124 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0425_00125 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,689,690,692,703,704,709,710,711,738,743,801,806 +0425_00126 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,572,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,841,861,862 +0425_00127 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00128 10,11,12,15,16,19,20,116,117,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,380,382,383,385,388,390,391,397,404,406,407,417,419,431,435,436,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,517,520,521,522,524,525,531,539,541,542,543,546,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,618,619,620,622,627,629,635,637,638,639,641,642,652,655,656,658,661,665,666,667,668,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,713,715,778 +0425_00129 10,11,12,15,16,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,301,315,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,375,376,377,379,380,381,382,385,388,389,390,391,397,404,406,408,412,417,419,421,423,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,468,473,478,483,485,487,488,491,492,494,496,497,499,503,505,507,516,518,520,522,524,525,531,536,539,540,541,542,543,546,547,549,550,554,556,557,561,571,573,574,575,577,578,580,581,586,593,594,595,597,601,602,605,614,615,617,620,622,624,625,629,634,637,638,639,645,653,655,657,658,666,667,672,673,674,675,709 +0425_00130 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,352,353,356,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,417,421,435,438,442,447,450,452,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,646,647,652,655,656,658,661,665,666,667,669,675,678,679,680,681,682,683,684,690,720,722,783,785 +0425_00131 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0425_00132 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0425_00133 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0425_00134 10,11,12,15,16,17,19,20,21,34,179,180,256,284,285,286,294,300,302,306,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,396,402,415,417,424,435,438,442,447,450,455,456,458,460,465,466,471,484,491,496,503,515,521,525,532,533,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,630,634,635,641,649,657,658,661,665,666,669,678,679,680,684,726,747,750,771,789,810,813,834 +0425_00135 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0425_00136 10,11,12,15,19,20,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,417,426,431,435,442,447,457,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0425_00137 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0425_00138 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,300,305,315,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,394,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,529,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,644,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0425_00139 10,11,12,13,15,16,19,20,21,22,34,35,179,180,186,187,193,194,256,258,260,284,285,286,287,294,301,309,333,334,341,342,345,352,353,354,356,357,367,371,372,375,377,378,382,383,384,385,386,406,407,409,415,417,423,431,435,438,442,447,450,458,459,460,465,466,471,477,482,491,499,503,517,521,525,532,533,542,543,544,546,547,549,550,553,557,565,566,567,571,574,575,579,583,585,588,590,591,593,595,596,600,601,604,605,607,608,609,616,618,619,620,627,634,635,638,641,642,652,656,661,665,666,667,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,715,716,726,736,737,738,742,756,758,759,764,778,779,789,799,800,801,805,819,821,822,827 +0425_00140 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0425_00141 10,11,12,15,16,17,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,301,309,333,334,339,340,341,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,423,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,616,618,622,625,629,637,638,639,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0425_00142 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,460,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0425_00143 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0425_00144 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00145 10,11,12,15,16,19,20,21,31,34,179,180,256,284,285,286,287,300,302,305,315,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,394,396,402,408,412,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,529,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,644,650,652,656,661,665,666,669,678,679,680,681,684,689,690,700,709,710,711,717,736,764,780,799,827 +0425_00146 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,301,309,333,340,342,345,346,347,352,353,359,360,366,367,374,376,380,390,391,394,397,404,406,407,419,421,423,439,440,443,444,448,451,452,454,468,473,485,487,488,492,495,497,505,507,516,518,520,522,537,541,561,567,568,570,572,573,583,593,597,603,612,613,614,615,618,637,638,639,640,645,655,660,663,664,681,682,683,684,691,692,703 +0425_00147 10,11,12,15,16,17,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,300,301,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,423,432,435,438,442,443,447,450,451,454,465,468,471,473,478,483,485,486,488,489,491,496,500,503,505,507,516,517,518,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,614,617,619,622,629,634,635,636,637,641,644,645,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00148 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0425_00149 10,11,12,15,16,17,19,20,34,179,181,182,256,257,284,285,286,287,300,306,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,404,417,419,431,432,438,442,443,450,451,454,459,460,465,473,483,485,488,491,496,499,505,507,520,524,525,529,531,539,540,541,542,546,549,550,556,557,561,571,573,574,575,583,586,593,594,596,597,601,602,607,609,614,620,622,629,634,635,637,638,639,641,644,652,653,655,658,661,666,669,675,679,680,681,684,689,690,709,710,711 +0425_00150 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0425_00151 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00152 10,11,12,15,16,17,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,301,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,384,385,388,391,393,394,417,419,421,422,423,435,436,438,442,443,446,447,448,450,452,465,471,475,478,484,491,496,497,500,503,509,512,514,516,517,521,525,533,534,546,547,548,550,553,557,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684 +0425_00153 10,11,12,15,19,179,180,214,216,217,256,284,285,286,287,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,736,799 +0425_00154 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,697,703,704,705,709,710,711,713,743,756,806,819 +0425_00155 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,334,345,347,353,354,367,369,375,408,412,413,415,458,460,466,480,508 +0425_00156 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0425_00157 10,11,15,16,17,19,20,179,181,182,256,257,284,285,286,287,300,301,333,334,335,341,345,352,353,356,358,359,375,376,377,380,382,388,390,391,394,395,397,399,400,404,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,478,483,485,486,487,488,489,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,636,645,646,648,651,655,658,666,675,709,712 +0425_00158 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0425_00159 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,358,359,367,371,372,375,376,377,380,381,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,432,435,438,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,483,484,485,488,491,494,496,503,505,507,517,520,521,524,525,531,532,533,536,539,540,546,547,549,550,553,554,556,557,561,565,571,573,574,575,579,580,583,585,586,593,594,595,596,597,598,600,601,602,604,605,609,614,619,620,622,624,629,634,635,637,638,641,642,648,655,656,658,661,665,666,667,669,672,673,675,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00160 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,360,367,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,415,417,419,421,431,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,473,484,485,488,491,494,505,507,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,595,596,597,598,600,604,605,609,619,620,624,635,637,638,641,642,648,655,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00161 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0425_00162 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0425_00163 10,11,12,13,15,16,19,20,144,149,150,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,336,337,341,345,352,353,356,357,358,359,371,372,375,376,377,378,381,385,386,387,388,391,393,394,397,404,407,417,419,421,431,432,435,438,439,440,441,442,443,444,447,450,451,452,453,454,465,471,473,483,488,491,494,496,503,507,517,520,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0425_00164 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,703,709,710,711,713 +0425_00165 10,11,12,13,15,16,19,20,144,149,150,179,180,256,284,285,286,287,300,333,334,336,337,341,345,352,353,356,357,367,371,372,375,376,381,385,391,393,394,406,417,419,421,431,435,439,440,441,442,443,444,447,451,452,453,454,465,471,488,491,494,517,520,521,525,536,537,539,549,550,553,554,556,557,565,570,571,574,575,577,579,580,583,585,593,595,596,597,598,600,604,605,608,609,612,614,619,620,624,629,634,635,638,641,642,646,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0425_00166 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,350,352,353,354,356,357,359,367,369,371,372,375,376,377,380,381,382,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,485,488,491,494,496,499,503,505,507,517,520,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,609,614,619,620,622,624,627,629,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0425_00167 10,11,12,13,15,19,20,21,31,144,146,147,179,180,186,187,256,284,285,286,287,293,309,315,333,334,336,339,341,345,346,347,348,349,352,353,356,357,366,367,368,371,372,375,381,385,391,392,406,407,408,411,412,417,421,426,431,435,440,441,442,444,447,452,453,457,471,491,517,521,525,536,537,541,553,557,564,565,567,571,579,580,583,585,593,596,600,603,604,609,614,615,618,619,635,638,641,646,647,657,660,661,662,665,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713 +0425_00168 10,11,12,13,15,16,19,20,21,144,149,150,179,180,181,182,185,186,188,189,193,200,256,257,258,259,260,284,285,286,287,309,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,463,465,471,473,483,491,494,496,499,503,507,517,521,522,524,525,531,536,538,539,540,541,542,543,546,547,549,550,553,554,556,557,565,568,570,571,574,575,577,578,579,580,582,583,585,586,591,593,594,595,596,598,600,601,604,605,607,608,609,612,614,615,618,619,620,624,629,634,635,638,639,641,642,643,646,647,652,656,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,682,683,684,685,687,689,690,692,693,694,695,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,738,756,757,759,785,799,801,819,820,822 +0425_00169 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0425_00170 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0425_00171 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0425_00172 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,515,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00173 10,11,12,15,16,19,20,21,34,130,133,284,285,286,287,294,300,309,333,334,339,341,345,346,352,353,354,366,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,659,683,686,687,688,709,710 +0425_00174 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,346,352,353,354,356,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,393,394,397,404,415,417,419,421,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00175 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0425_00176 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0425_00177 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,391,393,394,396,415,417,419,421,424,433,435,438,439,440,442,443,444,447,450,451,452,455,458,460,465,466,471,484,491,494,496,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,586,593,596,600,601,604,608,609,614,619,625,629,634,635,639,641,644,646,653,657,658,661,665,666,669,674,678,679,680,684,726,789 +0425_00178 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,334,337,341,345,350,352,353,354,369,375,391,393,394,409,415,417,421,435,440,442,444,447,452,458,459,460,465,466,517,554,644,646,657,673 +0425_00179 10,11,12,19,20,21,144,147,151,154,179,182,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,564,568,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0425_00180 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,582,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,615,618,619,620,621,624,626,627,629,633,634,635,638,640,641,642,643,644,646,647,652,656,657,658,661,665,666,667,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,703,705,706,709,710,711,714,736,757,759,777,799,820,822 +0425_00181 10,11,12,13,14,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,200,201,256,257,258,259,260,262,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,488,491,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,714,717,735,738,756,759,771,777,780,798,801,819,822,834 +0425_00182 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,393,394,397,404,415,417,419,421,432,435,438,440,442,443,444,447,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00183 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,341,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,378,380,384,385,388,391,393,394,397,404,413,415,417,419,421,422,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00184 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,529,531,539,540,541,546,547,550,556,561,573,577,586,594,597,600,602,614,622,629,637,644,646,647,655,658,675 +0425_00185 10,11,12,15,16,19,20,21,34,35,144,147,179,184,185,256,257,284,285,286,287,294,300,306,333,334,339,341,345,346,347,352,353,354,356,357,366,367,371,372,375,384,385,391,393,394,406,413,415,417,422,431,435,442,447,458,460,465,466,471,472,480,481,484,491,501,508,514,521,525,529,532,533,541,550,553,557,565,570,571,583,587,593,596,600,608,609,612,614,629,634,635,639,641,644,657,659,661,669,679,684,709,711 +0425_00186 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,345,346,350,352,353,354,366,369,375,391,393,394,409,415,421,440,444,452,458,459,460,466,529,541,614,644,646,647,657 +0425_00187 10,11,12,13,14,19,20,21,22,23,144,147,151,154,158,161,179,182,186,189,193,196,200,203,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00188 10,11,12,13,19,20,179,180,186,187,193,194,256,258,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,386,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0425_00189 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,367,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,449,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0425_00190 10,11,12,15,16,17,19,20,21,34,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,436,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,494,496,499,503,505,507,517,520,521,522,524,525,531,532,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,577,578,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,625,627,629,634,635,637,639,640,641,647,648,653,654,655,657,658,661,665,666,667,669,672,673,674,675,678,679,684,685,696,709,710 +0425_00191 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,335,341,342,345,352,353,356,357,358,359,367,371,372,375,377,382,383,385,388,391,393,394,396,406,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,465,471,477,491,494,496,499,503,515,517,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,559,560,565,566,571,574,575,576,579,580,581,582,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,608,609,614,619,620,622,624,625,626,627,629,634,635,638,639,640,641,642,643,644,646,651,652,653,654,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,699,701,702,705,709,710,711,712,741,757,804,820 +0425_00192 10,11,12,15,16,17,19,20,21,34,35,144,147,179,181,182,256,257,258,259,284,285,286,287,294,300,306,333,345,350,352,353,354,356,359,360,367,369,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,413,415,417,419,421,422,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,472,473,481,484,485,488,491,494,501,505,507,508,514,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,587,595,596,597,598,604,605,609,620,624,635,637,638,641,642,648,655,656,659,661,665,667,669,672,678,679,681,685 +0425_00193 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,301,302,309,333,341,345,352,356,358,359,371,372,377,378,385,387,388,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0425_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0425_00195 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,341,345,352,356,366,371,372,375,377,378,385,391,394,417,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684 +0425_00196 10,11,12,13,19,20,179,180,183,186,187,193,256,258,284,285,287,309,333,334,335,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0425_00197 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0425_00198 10,11,12,15,16,19,20,21,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,406,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,595,596,597,598,600,601,604,605,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,686,690,691,692,694,696,701,703,704,709,710,711,713 +0425_00199 10,11,12,15,16,17,19,20,34,144,146,147,256,257,284,285,286,287,294,301,333,334,335,345,347,350,352,353,354,359,360,366,367,369,375,376,380,381,390,391,392,397,404,406,413,419,421,423,439,441,443,444,451,452,453,454,468,473,474,476,485,487,488,490,505,507,508,516,518,519,520,539,541,561,573,597,614,615,637,645,647,648,655 +0425_00200 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0425_00201 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711,715,757,778,820 +0425_00202 10,11,12,15,19,20,144,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,385,391,393,394,406,410,417,421,431,433,435,437,438,440,442,444,447,449,450,452,465,471,477,491,494,496,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,586,589,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,711 +0425_00203 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,560,565,566,568,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,631,633,634,635,638,639,641,642,644,646,652,653,656,658,661,663,665,666,667,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0425_00204 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,345,352,353,356,357,371,372,375,385,391,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,516,517,519,521,523,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,735,777,798 +0425_00205 10,11,12,15,19,20,144,146,147,179,183,284,285,286,287,300,333,334,336,345,352,353,391,393,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,614,641,644,646,651,657,661,679,680,684,685,686,688,709,710,711,713 +0425_00206 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,342,345,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,736,756,757,798,799,819,820 +0425_00207 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00208 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861 +0425_00209 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00210 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647 +0425_00211 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,302,306,333,334,341,342,345,352,353,354,356,357,358,359,371,372,375,377,382,384,385,388,396,415,417,419,421,424,431,432,433,435,438,442,443,444,447,450,455,458,460,465,466,471,484,491,494,499,515,517,521,524,525,531,532,533,536,539,542,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,652,653,656,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,716,779 +0425_00212 10,11,12,13,19,20,179,180,186,187,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,714,736,757,777,799,820 +0425_00213 10,11,12,13,14,15,16,17,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,301,309,333,334,335,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,381,385,388,391,393,394,395,397,399,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,516,517,519,521,522,523,524,525,529,531,536,537,539,540,541,546,547,550,553,556,557,560,565,567,570,571,572,577,578,579,580,583,585,586,593,594,596,600,601,603,604,608,609,612,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,698,699,709,710,711,712,714,777 +0425_00214 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,340,341,342,345,346,347,352,353,356,366,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,453,463,465,471,491,496,503,517,521,525,529,536,538,541,546,547,550,553,557,560,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684 +0425_00215 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,339,341,345,346,352,353,356,366,371,372,375,377,378,381,385,391,392,407,417,421,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,503,517,521,525,537,538,541,546,547,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684 +0425_00216 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0425_00217 10,11,12,15,19,20,21,34,179,180,186,187,256,284,285,286,287,294,302,333,334,336,341,342,345,352,353,354,356,357,369,371,372,375,377,378,384,385,396,402,413,415,417,421,424,431,433,435,438,442,444,447,450,455,456,458,460,465,466,471,491,494,501,503,508,515,517,521,525,532,533,536,546,547,550,553,554,557,559,565,571,579,580,581,583,585,587,589,593,596,598,600,601,604,608,609,619,624,625,630,634,635,641,661,665,666,669,672,673,674,678,679,680,684,685,689,693,695,696,697,698,705,707,708,709,710,711,716,747,759,779,810,822 +0425_00218 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,394,395,399,406,417,421,431,435,438,442,447,450,452,453,465,471,477,478,491,499,503,511,516,517,519,521,523,525,542,543,544,546,547,549,550,553,557,560,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,616,619,620,627,634,635,638,641,642,644,652,656,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,738,764,778,801,827 +0425_00219 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00220 10,11,12,13,15,16,19,20,21,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,306,333,334,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,382,383,385,386,391,392,394,406,410,415,417,421,431,433,435,438,442,444,447,450,458,460,465,471,477,491,494,499,503,517,521,525,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,633,634,635,638,639,641,642,643,644,652,656,657,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,688,689,690,692,693,694,696,697,698,699,700,704,705,706,708,709,710,711,713,715,722,738,757,778,785,801,820 +0425_00221 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,258,260,284,285,286,287,300,301,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,394,395,399,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,477,478,491,499,503,516,517,519,521,523,525,536,538,542,543,546,547,549,550,553,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,606,607,608,609,613,614,615,616,619,620,621,627,633,634,635,638,641,642,644,646,651,652,656,660,661,665,666,667,669,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,778 +0425_00222 10,11,12,13,15,16,19,20,21,34,144,147,151,154,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,336,339,340,341,342,345,346,347,348,352,353,354,356,357,366,367,368,371,372,375,377,378,381,384,385,391,393,394,406,407,415,417,421,431,435,438,442,447,450,452,453,458,460,465,466,471,484,491,503,517,521,525,529,532,533,541,546,547,550,553,557,560,564,565,567,568,571,572,579,583,585,593,594,596,600,601,604,608,609,611,613,614,615,618,619,634,635,638,640,641,644,646,647,657,660,661,662,663,665,666,669,678,679,680,681,682,684,689,690,691,697,699,701,709,710,711,726,789 +0425_00223 10,11,12,13,14,15,16,17,19,20,21,34,35,144,146,147,151,153,154,179,180,186,187,256,257,258,259,260,262,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,381,384,385,388,391,392,393,394,397,404,406,407,413,417,419,421,422,431,432,435,436,438,440,442,443,444,446,447,448,450,452,453,454,465,471,473,474,475,476,481,483,490,491,492,496,501,503,507,508,509,514,517,521,522,524,525,529,532,533,534,536,537,539,540,541,546,547,549,550,553,557,560,561,565,567,570,571,572,574,579,580,583,585,586,587,593,595,596,600,603,604,605,608,609,612,613,614,618,619,629,635,637,638,639,641,644,646,647,655,657,658,659,660,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711 +0425_00224 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,762,777,778,798,799,819,825,861 +0425_00225 10,11,12,13,19,20,21,116,119,144,145,147,151,179,180,183,186,187,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,580,583,600,615,638,641,642,661,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0425_00226 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,618,620,638,639,641,644,646,647,657,660,661,667,668,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0425_00227 10,11,12,13,15,16,17,18,19,20,21,22,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,376,381,382,383,385,391,393,394,407,417,419,421,431,435,440,441,442,444,447,451,452,453,454,471,488,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,581,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,639,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,683,684,685,686,687,688,689,690,693,696,697,699,705,709,710,711,715,778 +0425_00228 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,393,394,397,404,406,415,417,419,421,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,646,653,655,657,658,661,665,666,667,669,675,678,679,680,684,726,789 +0425_00229 10,11,12,13,19,20,179,180,183,186,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00230 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00231 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,422,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,509,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0425_00232 10,11,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,658,661,665,666,669,678,679,680,684,768,831 +0425_00233 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,334,341,345,352,356,357,366,371,372,375,377,378,385,391,394,417,431,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0425_00234 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,589,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0425_00235 10,11,12,15,16,19,20,34,179,181,182,284,285,286,287,294,300,333,334,335,336,345,352,353,375,376,391,393,394,421,422,440,444,452,509,512,536,561,580,581,583,589,593,594,614,637,648,655,680,684,685,689,693,709,710,711,712,713 +0425_00236 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00237 10,11,15,16,17,34,179,181,182,256,257,284,285,286,294,300,301,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,423,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0425_00238 10,11,12,15,16,17,19,20,21,34,35,179,180,256,284,285,286,287,294,300,333,341,345,352,356,367,371,372,375,376,377,378,381,385,391,393,394,406,417,421,422,435,438,442,447,450,452,453,465,471,491,496,503,509,512,517,521,525,546,547,548,550,553,557,560,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00239 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00240 10,11,19,20,21,31,34,284,285,287,315,333,334,345,347,353,367,375,381,406,408,412,417,421,431,441,442,444,447,453,499,536,554,574,595,600,667,673 +0425_00241 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,396,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,515,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00242 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00243 10,11,12,13,14,19,20,21,22,144,147,179,182,185,186,189,193,196,200,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,663,664,667,668,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00244 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0425_00245 10,11,12,13,15,16,19,20,21,34,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,294,309,333,334,341,345,346,350,352,353,354,356,357,358,359,360,366,369,371,372,373,374,375,376,377,380,381,384,385,388,390,391,392,397,398,404,407,413,417,419,421,422,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,472,473,481,483,485,486,488,491,492,494,496,500,501,503,505,507,508,514,517,520,521,522,524,525,532,533,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,579,580,583,585,586,587,593,596,597,598,600,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,659,661,665,668,669,672,673,675,678,679,680,681,684,685,689,690,693,699,700,705,709,710,711,714,777 +0425_00246 10,11,12,13,15,19,20,179,180,186,187,214,220,256,258,284,285,286,287,309,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,541,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,735,756,757,778,798,819,820 +0425_00247 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,777 +0425_00248 10,11,15,16,17,19,20,284,285,286,287,300,302,333,341,345,346,352,353,366,367,375,376,391,393,394,396,419,420,421,430,432,440,443,444,452,529,536,541,561,569,614,637,644,646,647,648,651,655 +0425_00249 10,11,12,15,19,20,21,31,34,284,285,286,287,300,305,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,408,412,417,421,435,441,442,444,447,453,499,525,529,554,574,595,600,615,620,644,667,672 +0425_00250 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0425_00251 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,580,581,583,585,590,593,594,595,596,600,604,605,607,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,644,646,647,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,687,689,690,693,696,697,698,699,700,705,708,709,710,711,713,715,736,762,778,799,825 +0425_00252 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00253 10,11,12,15,19,20,21,34,35,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,384,385,391,392,406,409,413,415,417,421,422,431,438,440,442,444,447,450,452,458,459,460,465,466,471,472,481,491,496,501,508,521,525,532,534,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0425_00254 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,394,406,407,417,421,435,441,442,444,447,453,491,517,525,529,536,557,564,565,567,568,572,574,580,582,583,593,595,600,611,615,618,620,638,639,640,641,642,643,644,661,662,663,664,665,667,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0425_00255 10,11,12,13,15,16,19,20,21,34,116,117,284,285,286,287,294,300,309,333,334,335,336,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,417,421,435,438,440,441,442,444,447,450,452,453,491,503,508,525,529,536,537,554,557,567,574,580,583,587,593,603,614,618,620,641,644,646,657,659,660,661,668,672,673,679,684,685,709,710,712,713 +0425_00256 10,11,12,13,14,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,564,565,568,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,663,664,665,667,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0425_00257 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00258 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0425_00259 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0425_00260 10,11,12,13,15,16,19,20,179,180,185,186,187,193,256,258,284,285,286,287,300,301,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,624,627,629,633,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,705,706,709,710,711,713,715,735,736,756,757,778,798,799,819,820 +0425_00261 10,11,12,13,15,16,19,34,144,149,150,179,180,186,187,256,258,284,285,286,287,294,300,301,333,334,337,341,345,352,353,356,357,369,371,372,375,376,377,378,385,391,394,395,399,413,417,419,421,431,435,438,440,442,444,447,450,451,452,454,465,471,476,478,488,490,491,503,516,517,519,520,521,523,525,536,537,546,547,550,553,557,565,570,571,579,580,583,585,593,596,597,598,600,601,604,608,609,612,614,619,634,635,641,644,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0425_00262 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,333,334,341,342,345,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,396,406,417,419,421,431,432,435,440,442,443,444,447,452,471,477,491,499,517,521,525,529,536,539,541,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,684,685,689,690,692,693,694,697,699,700,703,705,709,710,711,713,714,736,756,757,777,799,819,820 +0425_00263 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,442,444,447,452,453,465,471,491,517,521,525,529,536,537,541,550,553,557,560,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,613,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,689,697,698,709,710,711,714,777 +0425_00264 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,359,366,367,371,372,375,376,377,378,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,438,440,442,443,444,447,449,450,451,452,454,458,460,465,466,471,473,477,483,484,485,488,491,494,496,499,503,505,507,517,520,521,524,525,529,531,532,533,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,579,580,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,627,629,630,634,635,637,639,640,641,644,646,647,648,653,654,655,658,661,665,666,667,669,672,673,675,678,679,680,684,685,689,693,696,705,708,709,710,711,717,747,758,780,810,821 +0425_00265 10,11,12,19,20,21,116,117,179,180,284,285,287,309,333,334,336,342,345,353,381,407,417,421,431,433,441,442,444,453,491,499,525,536,554,557,580,583,589,618,638,641,661,672,679,680,681,685,687,688,689,690,693,695,699,705,707,709,710,711 +0425_00266 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,341,345,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00267 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00268 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,339,341,345,346,350,352,353,354,356,366,369,371,372,375,377,378,385,391,392,409,415,417,421,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684 +0425_00269 10,11,12,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0425_00270 10,11,12,13,19,20,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,600,604,605,606,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705 +0425_00271 10,11,12,15,16,19,20,21,34,35,144,146,147,179,180,184,185,186,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,431,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,499,501,507,508,509,512,514,517,520,521,522,524,525,532,533,534,537,539,541,546,549,553,554,557,561,565,570,571,574,575,579,583,585,586,596,597,600,603,604,609,612,614,618,619,620,635,637,638,641,642,648,655,656,658,661,665,668,669,672,675,678,679,680,681,689,690,699,709,710,711,758,821 +0425_00272 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0425_00273 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,407,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,618,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,668,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0425_00274 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,302,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,396,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,515,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0425_00275 10,11,15,16,17,19,20,144,147,284,285,286,287,300,301,302,333,334,336,345,346,347,352,353,366,367,375,376,391,393,394,402,406,419,424,451,456,520,529,541,561,593,597,614,615,637,638,639,644,655,683,709 +0425_00276 10,11,12,15,19,20,21,34,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,381,384,385,391,392,406,407,413,417,421,422,431,438,440,441,442,444,447,450,452,453,463,465,471,472,481,491,496,501,508,521,525,532,534,537,538,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,603,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0425_00277 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,301,309,333,334,341,345,346,350,352,353,354,356,357,359,366,369,371,372,373,374,375,376,377,378,385,388,391,392,397,409,415,417,419,421,423,431,435,436,438,440,442,443,444,446,447,448,450,452,454,458,459,460,465,466,468,471,478,491,492,496,497,503,516,517,518,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,629,634,635,637,641,645,646,647,648,655,657,658,661,665,666,669,675,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00278 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00279 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00280 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00281 10,11,12,13,15,16,17,19,20,21,34,144,146,147,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,287,294,300,301,306,333,334,341,342,345,346,347,352,353,354,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,383,384,385,387,388,390,391,392,393,394,397,400,401,404,406,415,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,468,471,473,477,478,483,484,485,486,488,489,491,494,495,496,497,499,500,505,507,516,517,520,521,522,524,525,528,531,532,533,536,537,539,540,541,542,543,546,548,549,550,553,554,556,557,561,565,566,570,571,573,574,575,577,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,603,604,605,607,608,609,612,614,615,617,619,620,621,622,624,625,627,629,633,634,635,637,638,639,641,642,645,646,648,652,655,656,657,658,661,665,666,667,669,672,674,675,678,679,680,681,684,685,686,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0425_00282 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,341,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,572,573,581,586,593,594,597,602,603,612,614,618,622,625,629,637,638,640,648,655,657,658,674,675,683,709 +0425_00283 10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0425_00284 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00285 10,11,12,13,15,16,19,34,144,147,179,180,183,186,214,219,220,256,257,258,284,285,286,287,294,300,333,334,341,345,346,352,353,354,356,357,366,371,372,377,384,385,391,393,394,413,417,419,421,422,431,432,435,440,442,443,444,447,450,452,454,465,471,472,481,490,491,496,501,508,509,512,517,521,525,532,537,539,546,550,553,556,557,565,570,571,577,579,583,585,586,587,593,596,600,601,604,608,609,612,614,619,629,634,635,641,644,646,657,658,659,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,821 +0425_00286 10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,441,442,443,444,448,450,451,452,453,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,586,594,597,602,603,612,613,614,615,616,618,622,625,629,637,638,640,644,648,655,658,663,664,674,675,709 +0425_00287 10,11,12,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,489,491,495,496,500,505,507,516,517,518,520,521,524,525,528,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,636,641,644,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0425_00288 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,392,393,394,397,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,648,655,658,661,666,669,672,674,675,679,680,684,685,689,693,709,710,711 +0425_00289 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,524,525,528,529,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,648,655,658,661,666,669,672,674,675,679,680,684,685,689,693,709,710,711 +0425_00290 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00291 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00292 10,11,12,15,16,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,393,394,397,400,401,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,479,483,485,486,487,488,489,490,491,495,496,500,505,507,516,518,520,524,528,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,636,645,648,655,658,666,675,709,712 +0425_00293 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00294 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,352,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,561,573,597,637,644,648,655 +0425_00295 10,11,12,13,15,19,20,179,180,186,187,193,194,256,258,260,284,285,286,287,309,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,616,618,619,620,621,627,631,632,633,635,638,641,642,652,656,660,661,663,664,665,667,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,715,736,762,778,799,825 +0425_00296 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,574,580,583,600,618,620,638,641,661,668,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,841,861,862 +0425_00297 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,574,580,583,600,618,620,638,641,661,668,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +0425_00298 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,757,762,777,778,798,799,819,820,825,861 +0425_00299 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711,712 +0425_00300 10,11,12,13,19,20,21,22,144,145,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,421,433,441,444,453,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,861 +0425_00301 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,433,441,444,453,529,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,644,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00302 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0425_00303 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,572,583,618,638,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,840,841,861,862 diff --git a/processed_data/0425/0425_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0425/0425_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..99fab92e3 --- /dev/null +++ b/processed_data/0425/0425_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,304 @@ +id bits.on +0425_00001 10,11,19,20,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711 +0425_00002 10,11,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0425_00003 10,11,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,341,342,345,352,353,356,371,372,377,378,382,383,385,396,402,407,417,424,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,690,722,750,764,785,813,827 +0425_00004 10,15,16,17,144,146,147,256,257,284,286,300,301,366,374,376,380,390,391,394,395,397,399,400,404,419,423,448,451,454,468,485,487,488,489,492,497,505,518,520,522,523,541,561,573,636 +0425_00005 10,11,12,19,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,715,778 +0425_00006 10,11,12,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,353,356,357,371,372,376,385,391,393,394,417,421,431,435,440,442,444,447,452,465,471,491,517,521,525,536,537,550,553,557,561,565,570,571,579,580,583,585,593,596,598,600,603,604,608,609,612,614,619,629,634,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0425_00007 10,11,15,19,20,31,34,284,285,286,287,294,300,305,315,345,352,353,367,369,375,394,408,412,421,426,440,444,452,457,644 +0425_00008 10,11,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,287,294,300,301,306,345,352,353,375,376,380,391,393,394,413,415,419,421,422,423,440,444,451,452,458,460,468,469,480,487,490,509,512,518,520,561,597,636,644,648,655 +0425_00009 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,702,709,710,711,715,735,757,778,798,820 +0425_00010 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0425_00011 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,689,693,698,709,710,711,712 +0425_00012 10,11,12,13,15,16,17,144,146,147,179,180,256,257,258,284,285,286,301,333,334,335,345,346,352,356,357,366,371,372,374,375,376,380,385,390,391,397,404,417,419,420,423,430,431,435,442,447,448,451,454,465,468,471,485,487,488,491,492,497,505,516,518,520,521,522,525,541,550,553,557,561,565,569,571,573,579,583,585,593,596,597,600,604,608,609,614,619,629,634,635,637,641,655,661,665,669,677,678,679,680,684,689,697,698,709,710,711,712,713,735,798 +0425_00013 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0425_00014 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,709,711,712 +0425_00015 10,11,12,15,16,19,20,34,179,180,184,185,186,256,284,285,286,287,300,306,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,394,417,421,431,435,438,440,442,444,447,450,452,460,465,471,491,494,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,581,583,585,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,644,646,647,657,661,665,666,669,672,673,674,678,679,680,684,685,689,693,705,709,710,711,759,822 +0425_00016 10,11,12,15,19,20,179,180,256,284,285,286,287,300,302,309,333,334,342,345,347,352,353,356,357,367,371,372,375,382,383,385,394,396,406,417,421,431,435,440,442,444,447,452,471,477,491,499,515,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,615,619,620,621,627,633,635,638,641,642,644,652,656,661,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0425_00017 10,11,12,13,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,375,377,378,381,382,383,384,385,391,393,394,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,529,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,644,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0425_00018 10,11,12,13,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0425_00019 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,709,710,711,712,713 +0425_00020 10,11,12,13,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,256,257,258,259,260,262,284,285,286,287,300,301,309,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,399,404,406,407,417,419,421,423,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,487,488,491,494,496,500,503,505,507,516,517,518,520,521,522,523,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,613,614,618,619,620,624,625,629,634,635,637,638,639,641,642,655,656,657,658,661,665,666,668,669,672,673,674,675,678,679,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,713,714,738,756,759,771,777,801,819,822,834 +0425_00021 10,11,12,15,16,19,20,116,119,179,180,186,187,214,219,220,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,406,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,571,574,575,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0425_00022 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,407,417,421,431,433,435,438,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,561,565,566,567,568,571,572,574,575,579,580,582,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,637,638,639,641,642,643,644,646,647,652,655,656,657,658,660,661,663,664,665,666,667,669,672,673,675,678,679,680,681,683,684,685,686,689,690,693,697,699,705,709,710,711,722,738,757,785,801,820 +0425_00023 10,11,12,13,15,16,19,20,179,180,181,182,186,256,257,258,284,285,286,287,300,333,334,341,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,382,385,386,387,388,391,392,393,394,397,404,406,417,419,421,431,432,435,438,440,442,443,444,447,450,452,454,465,471,473,477,483,491,494,496,499,503,507,517,521,524,525,529,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,565,566,570,571,574,575,577,578,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,612,613,614,615,619,620,621,624,627,629,633,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,689,690,692,693,697,698,699,704,705,709,710,711,713,759,822 +0425_00024 10,11,15,19,20,31,34,35,284,285,286,287,294,300,315,345,350,352,353,354,366,367,369,375,391,393,394,408,412,421,440,444,452,529,541,644,647 +0425_00025 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,301,309,333,341,345,352,353,356,358,359,366,369,371,372,375,377,378,382,385,388,391,392,397,409,415,417,419,421,423,432,435,438,440,442,443,444,447,450,452,454,458,459,460,465,468,469,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0425_00026 10,11,12,19,20,284,285,287,309,333,334,336,345,353,375,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,709,710,711 +0425_00027 10,11,12,15,16,19,20,21,34,35,144,147,179,185,256,257,284,285,286,294,300,306,333,334,339,341,345,346,350,352,354,356,357,366,369,371,372,375,384,385,391,393,394,413,415,417,422,431,435,442,447,458,460,465,466,471,472,480,481,484,491,501,508,514,521,525,529,532,533,541,550,553,557,565,571,583,587,593,596,600,608,609,614,629,634,635,641,644,657,659,661,669,679,680,689,709,710,711 +0425_00028 10,11,12,19,20,21,144,147,151,154,284,285,287,309,333,334,336,340,342,345,347,353,367,381,406,407,421,441,444,453,536,580,582,583,615,618,638,640,643,680,681,682,685,687,688,689,690,693,697,699,700,705,709,710,711,713,799,819,820 +0425_00029 10,11,12,13,15,19,20,144,146,147,179,180,185,186,256,257,258,284,285,286,287,300,309,333,334,338,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,496,507,517,521,524,525,528,531,536,539,546,549,550,553,556,557,565,567,571,574,575,577,578,579,580,582,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,618,619,620,629,634,635,638,640,641,642,643,656,657,658,660,661,665,666,667,669,678,679,680,681,683,684,685,686,689,690,692,693,697,698,699,700,703,704,705,709,710,711,713,735,759,798,822 +0425_00030 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,661,665,669,672,673,678,679,680,681,685,687,688,689,690,693,697,698,699,700,705,709,710,711,713,714,777 +0425_00031 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,736,799 +0425_00032 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,715,736,741,778,799,804 +0425_00033 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,391,393,394,406,407,417,421,431,435,438,442,447,449,450,452,465,471,477,491,496,499,503,517,521,525,529,541,542,543,544,546,547,549,550,553,557,565,566,567,571,572,574,575,579,583,585,586,588,590,591,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,646,652,656,657,658,660,661,665,666,667,668,669,678,679,680,681,683,684,689,690,691,697,699,702,709,710,711,715,738,764,778,801,827 +0425_00034 10,11,12,15,19,20,179,180,284,285,286,287,300,309,333,334,335,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,680,681,683,684,685,686,689,690,693,697,698,699,705,709,710,711,712 +0425_00035 10,11,12,19,20,179,180,256,284,285,287,309,333,334,335,342,345,347,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,691,694,699,700,701,709,710,711,712,714,736,757,777,799,820 +0425_00036 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0425_00037 10,11,12,13,15,19,20,144,149,150,179,180,186,187,256,258,284,285,286,287,309,333,334,336,341,345,346,352,353,356,357,366,371,372,375,377,378,381,385,391,392,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,496,503,517,521,525,536,541,546,547,550,553,554,557,565,571,579,580,583,585,586,593,596,598,600,601,604,608,609,614,618,619,624,629,634,635,638,641,642,646,647,656,657,658,661,665,666,669,672,673,678,679,680,681,684,685,686,689,690,693,697,698,699,705,709,710,711,713,717,756,780,819 +0425_00038 10,11,12,13,15,16,17,19,144,145,146,147,149,150,151,158,179,180,186,187,256,257,258,260,284,285,286,287,300,301,333,334,337,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,385,390,391,392,399,417,419,421,423,431,435,439,440,442,443,444,447,451,452,454,465,471,487,488,491,516,517,518,520,521,523,525,531,536,537,539,540,541,550,553,556,557,565,570,571,577,579,580,583,585,593,596,597,600,604,608,609,612,614,619,629,634,635,641,646,647,657,661,665,669,678,679,680,684,685,689,693,697,698,709,710,711,713,714,756,777,819 +0425_00039 10,11,12,13,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,385,407,417,421,431,433,435,441,442,444,447,453,471,491,494,517,521,525,536,553,554,557,565,571,579,580,583,585,596,598,600,604,609,618,619,624,635,638,641,642,656,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,735,798 +0425_00040 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,341,345,352,353,356,357,371,372,375,377,378,381,385,391,393,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,496,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,713,738,756,759,801,819,822 +0425_00041 10,11,12,15,16,19,179,180,181,182,186,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,536,537,541,546,550,553,557,565,570,571,579,580,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,685,689,693,698,709,710,711,735,759,798,822 +0425_00042 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,341,342,345,352,353,356,357,371,372,377,378,381,382,383,385,394,407,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,571,574,575,576,579,580,582,583,585,591,593,596,598,600,601,604,607,608,609,618,619,620,624,626,634,635,638,640,641,642,643,644,652,656,661,665,666,668,669,672,673,678,679,680,681,683,684,685,686,689,690,693,699,705,709,710,711,722,738,757,785,801,820 +0425_00043 10,11,12,19,20,179,180,186,187,256,258,284,285,287,333,334,342,345,353,356,357,367,371,372,375,382,383,385,386,406,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0425_00044 10,11,12,15,16,19,20,21,34,179,180,186,187,256,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,356,369,371,372,375,377,378,382,383,385,394,396,402,406,415,417,424,435,438,442,447,450,455,456,458,460,465,471,477,491,499,503,515,517,521,525,542,543,544,546,547,549,550,553,557,559,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,615,616,619,620,621,627,633,634,635,638,639,641,642,644,652,653,656,661,665,666,667,669,678,679,680,681,684,690,692,704,729,743,764,792,806,827 +0425_00045 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0425_00046 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,309,333,334,336,341,342,345,352,353,356,371,372,375,377,378,382,383,385,391,407,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,499,503,516,517,519,521,525,536,542,543,546,547,549,550,553,557,565,571,574,575,579,580,581,583,585,586,589,591,593,594,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,646,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,690,693,709,710,722,785 +0425_00047 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,421,440,444,452,536,561,580,581,583,589,593,594,614,637,646,648,651,655,680,684,685,689,693,709,710,711,712,713 +0425_00048 10,11,12,15,16,19,20,179,180,181,182,186,256,284,285,286,287,300,333,334,335,345,352,353,356,357,371,372,375,376,385,391,393,394,417,421,431,435,440,442,444,447,452,471,491,517,521,525,536,553,557,561,565,571,579,580,581,583,585,589,593,594,596,598,600,604,608,609,614,619,635,637,641,646,648,651,655,661,665,669,678,679,680,684,685,689,693,697,698,705,709,710,711,712,713 +0425_00049 10,11,12,13,15,16,19,20,144,146,147,179,180,186,187,256,258,284,285,286,287,301,333,334,336,341,345,352,353,356,371,372,375,377,378,385,391,417,421,435,438,440,442,444,447,450,452,465,471,478,491,496,503,516,517,519,521,525,536,546,547,550,553,557,565,571,579,580,581,583,585,586,589,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,657,658,661,665,666,669,678,679,680,684,685,693,709,710 +0425_00050 10,11,15,19,20,21,31,284,285,286,287,293,300,309,315,333,339,341,345,346,349,352,353,366,375,381,394,407,411,412,421,426,441,444,453,457,529,536,537,567,580,618,638,644 +0425_00051 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,284,285,286,287,294,300,333,334,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,377,382,383,385,388,391,393,394,397,404,406,413,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,490,491,492,496,499,503,507,508,517,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,580,583,585,586,587,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,638,639,641,642,644,646,651,652,656,657,658,661,665,666,667,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,715,778 +0425_00052 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,366,371,372,377,378,381,382,383,384,385,391,392,406,407,415,417,421,431,435,438,441,442,444,447,450,453,458,460,465,466,471,477,484,491,494,496,499,503,517,521,525,532,533,535,536,541,542,543,544,546,547,549,550,553,554,557,565,566,567,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,616,618,619,620,621,624,627,629,630,633,634,635,638,641,642,652,656,657,658,660,661,665,666,667,668,669,672,673,678,679,680,681,683,684,685,686,689,690,691,693,694,699,701,702,705,706,709,710,711,715,737,738,747,763,764,778,800,801,810,826,827 +0425_00053 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,503,517,521,525,529,536,537,541,546,547,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,709,710,711,759,822 +0425_00054 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,306,309,333,334,345,346,352,353,354,356,357,366,371,372,375,381,384,385,391,407,415,417,421,431,435,441,442,444,447,453,458,460,466,471,484,491,494,517,521,525,532,533,536,541,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,614,618,619,620,624,635,638,641,642,656,657,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,716,779 +0425_00055 10,11,12,13,15,19,20,21,34,144,147,179,180,181,182,186,187,193,194,200,256,257,258,260,262,284,285,286,287,294,309,333,334,342,345,346,347,352,353,354,356,357,366,367,371,372,382,383,384,385,386,391,392,406,407,413,417,421,422,431,433,435,442,444,447,471,472,477,481,491,494,499,501,508,514,517,521,525,532,533,536,541,542,543,549,553,554,557,565,566,567,571,574,575,579,580,583,585,587,590,591,593,595,596,598,600,604,605,607,609,614,615,616,618,619,620,621,624,627,633,635,638,641,642,652,656,657,659,660,661,665,667,668,669,672,673,678,679,680,681,684,685,689,690,693,694,697,698,699,700,705,706,709,710,711,713,715,742,758,778,805,821 +0425_00056 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,700,702,709,710,711,715,736,741,778,799,804 +0425_00057 10,11,12,15,179,180,186,187,193,194,284,285,286,300,333,334,335,336,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689,697,698,709,710,711,712,798 +0425_00058 10,11,15,19,20,34,144,149,150,179,180,256,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,371,372,384,385,394,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,484,491,494,517,521,525,532,533,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711,758,821 +0425_00059 10,11,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,352,353,356,357,371,372,382,383,385,394,407,417,421,431,435,440,442,444,447,452,465,471,491,494,499,517,521,525,536,542,543,549,550,553,554,557,565,571,574,575,579,580,582,583,585,591,593,596,598,600,604,607,608,609,618,619,620,624,626,634,635,638,639,641,642,643,652,656,661,665,668,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,757,820 +0425_00060 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,382,383,385,391,393,394,406,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,615,618,619,620,635,638,640,641,642,644,652,656,657,660,661,665,668,669,678,679,680,681,684,689,690,691,697,698,699,700,702,709,710,711,715,735,757,778,798,820 +0425_00061 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,375,376,391,393,394,417,421,435,440,442,444,447,452,491,517,536,557,561,580,581,583,589,593,594,600,614,637,641,646,648,651,655,680,684,685,689,693,709,710,711,712,713 +0425_00062 10,11,12,15,16,19,20,34,179,180,256,284,285,286,287,294,300,306,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,385,391,393,394,407,415,417,431,435,438,442,447,450,458,460,465,471,491,503,517,521,525,529,541,546,547,549,550,553,557,565,567,571,572,574,575,579,583,585,593,596,600,601,604,608,609,614,618,619,620,634,635,638,641,642,644,656,657,660,661,665,666,668,669,678,679,680,681,684,689,690,692,697,699,704,709,710,711,717,780 +0425_00063 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,306,333,334,339,341,342,345,346,352,353,354,356,357,366,367,371,372,375,382,383,384,385,391,392,393,394,406,415,417,421,431,435,440,442,444,447,452,458,460,465,466,471,477,484,491,494,499,517,521,525,529,532,533,536,541,542,543,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,590,593,595,596,598,600,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,693,699,705,709,710,711,721,737,757,784,800,820 +0425_00064 10,11,12,19,20,34,144,147,179,180,256,257,258,284,285,287,294,309,333,334,336,342,345,350,353,354,356,357,369,371,372,375,381,384,385,407,413,417,421,422,431,433,435,441,442,444,447,453,471,472,481,491,494,501,508,514,517,521,525,532,533,536,553,554,557,565,571,579,580,583,585,587,596,598,600,604,609,618,619,624,635,638,641,642,656,659,661,665,669,672,673,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +0425_00065 10,11,12,15,16,17,19,34,144,146,147,256,257,284,285,286,287,294,300,301,333,334,335,345,352,354,359,366,375,376,380,391,392,393,394,413,419,421,422,423,443,451,452,468,481,487,490,508,509,516,518,520,529,539,541,561,587,637,645,647,648 +0425_00066 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,576,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,640,641,642,644,652,654,656,657,660,661,665,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,703,709,710,711,736,741,799,804 +0425_00067 10,11,12,15,16,34,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,294,300,333,341,345,350,352,354,356,358,359,360,366,369,371,372,374,376,377,378,380,384,385,387,388,390,391,393,394,397,400,401,404,413,417,419,422,432,435,438,439,442,443,447,448,450,451,454,465,471,473,474,475,476,481,483,485,486,488,489,490,491,492,496,500,501,503,505,507,508,509,517,520,521,522,524,525,528,531,532,534,539,540,541,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,587,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,657,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00068 10,11,19,20,34,179,180,256,284,285,287,294,309,333,334,345,353,354,356,357,371,372,381,384,385,407,414,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,532,533,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00069 10,11,15,284,285,286,300,333,339,341,345,346,352,366,375,394,529,583,593,644,680,684,689 +0425_00070 10,11,12,15,16,19,20,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,334,341,342,345,350,352,353,354,356,357,358,359,369,371,372,377,382,383,385,386,388,396,415,417,419,421,424,431,432,433,435,438,442,443,444,447,450,455,458,460,465,466,471,491,494,499,515,517,521,524,525,531,536,539,540,542,543,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,652,653,656,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,757,820 +0425_00071 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0425_00072 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0425_00073 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,568,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,689,690,691,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862,867 +0425_00074 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861,862 +0425_00075 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0425_00076 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,517,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,673,679,680,681,685,687,689,690,693,695,697,698,699,700,705,707,709,710,711,712,713,777,798,819,840,841,861,862 +0425_00077 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,549,553,557,565,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,861 +0425_00078 10,19,20,21,34,284,285,287,309,345,347,353,367,375,409,459,460 +0425_00079 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00080 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0425_00081 10,11,12,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,342,345,353,356,357,366,371,372,375,381,382,383,385,386,391,393,394,406,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,619,620,623,627,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +0425_00082 10,11,12,15,19,20,21,179,180,181,182,186,284,285,286,287,300,309,333,334,336,340,342,345,347,352,353,367,375,391,393,394,407,421,433,440,444,452,536,572,580,582,583,593,614,618,638,643,644,646,651,657,680,681,684,685,689,690,692,693,694,695,696,697,698,699,703,705,706,709,710,711,798 +0425_00083 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,345,346,350,352,353,354,356,357,366,369,371,372,375,381,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,508,517,521,525,529,536,537,541,550,553,557,565,567,570,571,579,580,581,583,585,587,593,596,598,600,603,604,608,609,612,614,618,619,634,635,638,641,644,646,647,657,659,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +0425_00084 10,11,15,19,20,34,179,180,256,284,285,294,300,306,333,334,345,354,356,357,371,372,375,384,385,415,417,431,435,442,447,458,460,466,471,484,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680,689,709,710,711,716,779 +0425_00085 10,11,12,13,19,20,21,144,145,147,151,152,158,179,180,183,186,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,572,574,580,582,583,595,600,615,618,620,638,640,641,643,661,667,668,679,680,681,682,685,687,689,690,691,693,694,695,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,840,841,861,862 +0425_00086 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0425_00087 10,11,12,13,19,20,21,144,150,179,180,185,186,187,192,193,200,256,258,284,285,287,333,334,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,406,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,595,596,598,600,604,605,607,609,615,619,620,621,624,626,627,631,633,635,638,640,641,642,643,652,654,656,661,663,665,667,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,720,735,736,741,757,762,778,783,798,799,804,820,825 +0425_00088 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10,11,12,19,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,709,710,711,713,757,820 +0425_00091 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,684,689,690,691,697,699,702,709,710,711,715,778 +0425_00092 10,11,15,19,20,34,179,180,256,284,285,294,300,306,333,345,354,356,371,372,384,385,415,417,435,442,447,458,460,466,471,484,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,661,665,669,678,679,680 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10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,301,333,334,341,345,352,356,357,358,359,371,372,375,377,378,385,387,388,399,417,419,423,431,432,435,438,442,443,447,450,465,471,478,486,491,500,503,516,517,521,523,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,689,709,710,711,717,738,771,780,801,834 +0425_00101 10,11,12,19,179,180,256,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,778 +0425_00102 10,15,16,17,19,286,287,300,376,391,394,419,421,451,452,454,488 +0425_00103 10,11,12,15,16,19,20,179,181,182,284,285,286,287,300,333,334,335,336,345,352,353,366,375,376,391,392,393,394,417,418,421,428,435,440,442,444,447,452,461,491,517,536,541,557,561,580,581,583,589,593,594,600,614,637,641,646,647,648,651,655,709,710,711,712,713 +0425_00104 10,11,12,15,16,19,20,31,34,179,181,182,256,257,284,285,286,287,315,345,346,347,352,353,359,366,367,371,373,374,375,377,382,388,391,397,404,408,412,417,419,436,443,446,447,448,450,454,462,473,483,486,492,496,498,500,503,507,517,522,540,541,543,544,547,548,567,570,578,612,657,660 +0425_00105 10,11,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,618,638,682,687 +0425_00106 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,353,375,407,417,421,431,433,442,444,463,491,499,525,536,538,554,557,580,583,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,861 +0425_00107 10,11,12,13,19,179,180,256,284,285,287,309,333,334,335,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,735,757,778,798,820 +0425_00108 10,11,12,15,19,20,21,31,34,35,179,180,256,284,285,286,287,294,300,306,315,333,340,342,345,346,347,350,352,353,354,356,366,367,369,371,372,375,384,385,394,408,412,415,417,435,442,447,458,460,466,471,484,491,517,521,525,529,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,641,644,661,665,669,678,679,680 +0425_00109 10,11,12,13,15,16,179,180,186,187,256,258,284,285,286,300,333,334,336,339,341,345,346,352,356,366,371,372,375,377,378,385,391,393,394,417,435,438,442,447,450,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,565,571,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,709,710,729,792 +0425_00110 10,11,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,341,345,352,356,358,359,371,372,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,432,435,438,442,443,447,450,451,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00111 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,302,309,333,334,335,341,342,345,352,353,356,357,371,372,375,377,378,382,383,385,396,402,407,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,521,525,542,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,588,591,593,594,596,600,601,602,604,607,608,609,618,619,620,634,635,638,641,642,650,652,656,661,665,666,668,669,678,679,680,681,683,684,689,690,697,698,699,709,710,711,712,713,722,738,750,757,764,785,801,813,820,827 +0425_00112 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00113 10,11,12,13,19,20,34,179,180,256,284,285,287,294,333,345,347,353,354,356,367,371,372,375,384,385,415,417,435,442,447,458,459,460,466,471,482,491,517,521,525,532,533,553,557,565,571,579,583,585,596,600,604,609,619,635,638,641,661,665,669,678,679,680,681,689,690,697,699 +0425_00114 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,512,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0425_00115 10,11,12,15,16,19,179,180,186,187,256,284,285,286,287,300,333,334,336,339,341,345,346,352,356,366,371,372,375,376,377,378,385,391,393,394,417,421,435,438,442,447,450,452,465,471,491,496,503,517,521,525,529,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,709,710,711,822 +0425_00116 10,11,12,15,16,19,20,144,148,179,180,181,182,186,256,257,284,285,286,287,300,333,334,339,341,345,346,352,353,356,357,358,359,366,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,522,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,646,647,648,651,655,657,658,661,666,669,672,674,675,679,680,684,685,693,709,710,711,864 +0425_00117 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10,11,12,13,15,16,19,20,21,22,34,35,179,180,186,187,193,194,256,258,260,284,285,286,287,294,300,301,309,333,334,341,342,345,352,353,354,356,357,371,372,375,377,378,382,383,384,385,386,391,393,394,407,409,415,417,421,423,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,482,491,496,499,503,517,521,525,532,533,534,542,544,546,547,549,550,553,557,565,567,571,574,575,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,630,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,716,717,736,737,738,742,747,756,757,759,764,768,779,780,799,800,801,805,810,819,820,822,827,831 +0425_00119 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10,11,12,15,16,19,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,300,333,341,342,345,347,352,353,356,358,359,360,367,371,372,376,377,378,380,382,385,387,388,390,391,393,394,397,400,401,404,406,410,417,419,421,432,433,435,437,438,439,442,443,444,447,449,450,451,454,462,465,471,473,477,483,485,486,488,489,491,494,495,496,499,500,503,505,507,517,520,521,524,525,528,531,536,537,539,540,542,543,546,547,548,549,550,553,554,556,557,561,565,566,567,570,571,573,574,575,577,579,580,583,585,586,590,593,595,596,597,598,600,601,603,604,605,607,608,609,612,614,615,616,619,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,657,658,660,661,665,666,667,669,672,673,675,678,679,680,681,684,685,692,696,703,771,834 +0425_00121 10,11,12,15,19,20,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,417,421,435,438,440,442,444,447,450,452,465,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 +0425_00122 10,11,12,15,19,20,21,34,179,180,185,186,256,284,285,286,287,294,300,333,341,342,345,347,350,352,353,354,356,367,369,371,372,375,377,378,385,391,393,394,406,413,415,417,421,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,496,499,503,508,517,521,525,546,547,550,553,554,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,615,619,629,634,635,641,644,646,657,658,659,661,665,666,669,672,678,679,680,684 +0425_00123 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,393,394,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,517,521,525,529,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00124 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,690,692,703,704,743,806 +0425_00125 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,334,341,342,345,352,353,356,357,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,431,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,546,547,549,550,553,557,560,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,619,620,623,627,629,634,635,638,639,641,642,644,646,652,653,656,658,661,665,666,667,669,678,679,680,681,684,689,690,692,703,704,709,710,711,738,743,801,806 +0425_00126 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,517,525,536,554,557,565,572,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,841,861,862 +0425_00127 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,341,345,352,356,358,359,367,371,372,375,376,377,378,380,381,385,387,388,390,391,393,394,397,400,401,404,406,417,419,421,432,435,438,442,443,447,450,451,452,453,454,465,471,473,483,485,486,488,489,491,496,500,503,505,507,517,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,560,561,565,570,571,573,577,579,583,585,586,593,596,597,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00128 10,11,12,15,16,19,20,116,117,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,336,338,342,345,346,352,353,356,357,359,366,367,371,372,373,374,375,376,377,380,382,383,385,388,390,391,397,404,406,407,417,419,431,435,436,442,443,446,447,448,450,451,454,465,471,473,477,483,485,488,491,492,496,499,505,507,517,520,521,522,524,525,531,539,541,542,543,546,549,550,553,556,557,561,565,566,571,573,574,575,577,579,583,585,586,590,593,594,595,596,597,600,602,604,605,607,609,614,618,619,620,622,627,629,635,637,638,639,641,642,652,655,656,658,661,665,666,667,668,669,675,678,679,680,681,684,689,690,691,697,698,699,700,701,702,709,710,711,713,715,778 +0425_00129 10,11,12,15,16,19,20,21,31,34,144,146,147,179,181,182,256,257,258,259,284,285,286,287,301,315,333,334,341,345,346,347,352,353,356,357,358,359,360,366,367,371,372,373,374,375,376,377,379,380,381,382,385,388,389,390,391,397,404,406,408,412,417,419,421,423,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,468,473,478,483,485,487,488,491,492,494,496,497,499,503,505,507,516,518,520,522,524,525,531,536,539,540,541,542,543,546,547,549,550,554,556,557,561,571,573,574,575,577,578,580,581,586,593,594,595,597,601,602,605,614,615,617,620,622,624,625,629,634,637,638,639,645,653,655,657,658,666,667,672,673,674,675,709 +0425_00130 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,333,341,342,345,352,353,356,366,367,371,372,375,376,377,378,382,383,385,391,392,393,394,406,417,421,435,438,442,447,450,452,465,471,477,491,496,499,503,517,521,525,541,542,543,546,547,549,550,553,557,561,565,566,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,615,619,620,621,627,629,633,634,635,637,638,641,642,644,646,647,652,655,656,658,661,665,666,667,669,675,678,679,680,681,682,683,684,690,720,722,783,785 +0425_00131 10,11,12,13,19,20,144,145,179,183,186,190,193,197,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,418,421,428,429,431,433,435,442,444,447,461,491,517,525,536,554,557,565,580,583,600,618,638,641,642,661,665,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,840,841,861,862 +0425_00132 10,11,12,15,19,20,21,144,150,179,180,256,284,285,286,287,300,309,333,334,338,340,342,345,347,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,545,549,553,557,560,565,566,568,571,572,574,575,576,579,583,585,590,595,596,600,604,605,607,609,613,615,618,619,620,621,623,627,631,633,635,638,640,641,642,647,652,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,736,757,762,799,820,825 +0425_00133 10,11,12,15,16,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,333,341,345,352,354,356,358,359,366,371,372,375,376,377,378,380,384,385,387,388,391,392,393,394,397,404,413,417,419,421,422,432,435,438,442,443,447,450,451,452,454,465,471,472,473,474,475,476,481,483,485,488,490,491,496,501,503,507,508,509,514,517,520,521,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,637,641,647,648,655,658,661,665,666,669,675,678,679,680,684,768,831 +0425_00134 10,11,12,15,16,17,19,20,21,34,179,180,256,284,285,286,294,300,302,306,333,341,345,346,352,354,356,366,371,372,375,377,378,384,385,391,392,396,402,415,417,424,435,438,442,447,450,455,456,458,460,465,466,471,484,491,496,503,515,521,525,532,533,541,546,547,548,550,553,557,559,565,570,571,579,583,585,586,593,594,596,600,601,602,604,608,609,612,614,619,629,630,634,635,641,649,657,658,661,665,666,669,678,679,680,684,726,747,750,771,789,810,813,834 +0425_00135 10,11,12,15,16,17,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,397,399,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,483,485,486,487,488,490,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,645,648,655,658,666,675,709,712 +0425_00136 10,11,12,15,19,20,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,417,426,431,435,442,447,457,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0425_00137 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0425_00138 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,300,305,315,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,394,406,408,412,417,421,431,435,441,442,444,447,453,471,491,494,499,517,521,525,529,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,595,596,598,600,604,605,607,609,615,619,620,624,626,635,638,640,641,642,643,644,652,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,757,820 +0425_00139 10,11,12,13,15,16,19,20,21,22,34,35,179,180,186,187,193,194,256,258,260,284,285,286,287,294,301,309,333,334,341,342,345,352,353,354,356,357,367,371,372,375,377,378,382,383,384,385,386,406,407,409,415,417,423,431,435,438,442,447,450,458,459,460,465,466,471,477,482,491,499,503,517,521,525,532,533,542,543,544,546,547,549,550,553,557,565,566,567,571,574,575,579,583,585,588,590,591,593,595,596,600,601,604,605,607,608,609,616,618,619,620,627,634,635,638,641,642,652,656,661,665,666,667,668,669,678,679,680,681,684,689,690,697,699,700,709,710,711,713,715,716,726,736,737,738,742,756,758,759,764,778,779,789,799,800,801,805,819,821,822,827 +0425_00140 10,11,12,13,15,16,19,20,21,34,130,132,133,144,146,147,179,180,256,284,285,286,287,294,300,309,333,334,339,341,342,345,346,350,352,353,354,356,357,366,369,371,372,375,381,382,383,385,391,392,393,394,407,413,417,421,431,435,440,441,442,444,447,452,453,465,471,490,491,499,508,517,521,525,529,536,537,541,542,543,549,550,553,557,565,567,570,571,574,575,579,580,581,583,585,587,591,593,596,598,600,603,604,607,608,609,612,614,618,619,620,634,635,638,641,642,644,646,647,652,656,657,659,660,661,665,668,669,678,679,680,681,684,685,689,690,692,693,697,704,705,709,710,711,715,778 +0425_00141 10,11,12,15,16,17,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,301,309,333,334,339,340,341,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,423,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,616,618,622,625,629,637,638,639,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0425_00142 10,11,12,15,19,20,21,31,34,179,180,256,284,285,286,287,294,300,305,315,333,334,339,341,342,345,346,347,352,353,354,356,357,366,367,369,371,372,375,382,383,384,385,394,408,412,413,415,417,426,431,435,442,447,457,458,460,466,471,491,499,501,508,517,521,525,529,532,533,542,543,549,553,557,565,571,574,575,579,583,585,587,596,600,604,607,609,619,620,635,638,641,642,644,652,656,661,665,669,678,679,680,681,689,690,700,709,710,711,721,736,758,784,799,821 +0425_00143 10,11,15,19,20,21,34,179,184,185,284,285,286,287,300,306,333,342,345,352,353,375,394,417,421,435,440,442,444,447,452,459,460,465,499,525,554,600,644,672 +0425_00144 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,366,371,372,375,376,377,378,385,391,392,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,647,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00145 10,11,12,15,16,19,20,21,31,34,179,180,256,284,285,286,287,300,302,305,315,333,334,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,382,383,385,394,396,402,408,412,417,424,431,435,438,442,447,450,455,456,465,471,491,499,503,515,517,521,525,529,542,543,544,546,547,549,550,553,557,559,565,567,571,574,575,579,583,585,593,596,600,601,604,607,608,609,619,620,634,635,638,641,642,644,650,652,656,661,665,666,669,678,679,680,681,684,689,690,700,709,710,711,717,736,764,780,799,827 +0425_00146 10,11,12,15,16,17,19,20,21,144,146,147,151,154,256,257,284,285,286,287,300,301,309,333,340,342,345,346,347,352,353,359,360,366,367,374,376,380,390,391,394,397,404,406,407,419,421,423,439,440,443,444,448,451,452,454,468,473,485,487,488,492,495,497,505,507,516,518,520,522,537,541,561,567,568,570,572,573,583,593,597,603,612,613,614,615,618,637,638,639,640,645,655,660,663,664,681,682,683,684,691,692,703 +0425_00147 10,11,12,15,16,17,144,146,147,151,153,154,179,180,256,257,258,259,260,284,285,286,300,301,333,341,345,352,356,358,359,371,372,375,376,377,378,380,385,387,388,390,391,393,394,397,400,401,404,417,419,423,432,435,438,442,443,447,450,451,454,465,468,471,473,478,483,485,486,488,489,491,496,500,503,505,507,516,517,518,520,521,524,525,528,531,539,540,546,547,548,550,553,556,557,561,565,570,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,614,617,619,622,629,634,635,636,637,641,644,645,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00148 10,11,12,15,16,17,19,179,180,181,182,186,256,257,258,284,285,286,287,300,301,333,334,341,345,352,353,356,357,358,359,360,371,372,375,376,377,380,382,385,388,390,391,397,399,404,417,419,421,423,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,468,471,473,478,483,485,486,487,488,491,495,496,500,505,507,516,517,518,519,520,521,523,524,525,531,536,537,539,540,546,548,550,553,556,557,561,565,570,571,573,577,579,580,583,585,586,593,596,597,598,600,604,608,609,612,614,617,619,634,635,641,645,646,648,655,657,658,661,665,666,669,675,678,679,680,684,685,689,693,697,705,709,710,711 +0425_00149 10,11,12,15,16,17,19,20,34,179,181,182,256,257,284,285,286,287,300,306,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,404,417,419,431,432,438,442,443,450,451,454,459,460,465,473,483,485,488,491,496,499,505,507,520,524,525,529,531,539,540,541,542,546,549,550,556,557,561,571,573,574,575,583,586,593,594,596,597,601,602,607,609,614,620,622,629,634,635,637,638,639,641,644,652,653,655,658,661,666,669,675,679,680,681,684,689,690,709,710,711 +0425_00150 10,11,12,13,15,19,20,21,179,180,183,186,256,284,285,286,287,300,309,333,334,337,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,682,689,690,691,697,699,700,701,702,709,710,711,713,736,756,757,778,799,819,820,825 +0425_00151 10,11,12,13,15,16,19,179,180,186,187,256,258,284,285,286,287,300,333,334,337,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00152 10,11,12,15,16,17,19,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,301,306,333,341,345,346,352,354,356,359,366,371,372,373,374,376,377,378,384,385,388,391,393,394,417,419,421,422,423,435,436,438,442,443,446,447,448,450,452,465,471,475,478,484,491,496,497,500,503,509,512,514,516,517,521,525,533,534,546,547,548,550,553,557,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,646,655,658,661,665,666,669,675,678,679,680,684 +0425_00153 10,11,12,15,19,179,180,214,216,217,256,284,285,286,287,309,333,334,335,342,345,346,352,353,356,357,366,371,372,375,382,383,385,391,392,407,417,431,435,442,447,471,491,499,517,521,525,541,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,652,656,657,661,665,668,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,736,799 +0425_00154 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,383,385,391,393,394,406,417,421,431,435,438,440,442,444,447,450,452,465,471,477,491,494,496,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,583,585,586,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,627,629,633,634,635,638,639,641,642,644,646,652,653,656,657,658,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,697,703,704,705,709,710,711,713,743,756,806,819 +0425_00155 10,11,12,19,20,21,31,34,35,284,285,287,294,315,333,334,345,347,353,354,367,369,375,408,412,413,415,458,460,466,480,508 +0425_00156 10,11,12,13,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,339,341,345,346,352,354,356,357,359,366,371,372,373,374,375,376,377,378,384,385,388,391,393,394,397,404,415,417,419,421,431,435,436,438,442,443,446,447,448,450,452,454,458,460,465,466,471,473,483,484,491,492,496,503,507,517,521,522,524,525,529,531,532,533,534,539,540,541,546,547,550,553,556,557,561,565,571,578,579,583,585,586,593,594,596,600,601,602,604,608,609,614,619,622,629,634,635,641,644,646,647,655,657,658,661,665,666,669,678,679,680,684,689,709,710,711,738,801 +0425_00157 10,11,15,16,17,19,20,179,181,182,256,257,284,285,286,287,300,301,333,334,335,341,345,352,353,356,358,359,375,376,377,380,382,388,390,391,394,395,397,399,400,404,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,478,483,485,486,487,488,489,491,495,496,500,505,507,516,518,519,520,523,524,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,636,645,646,648,651,655,658,666,675,709,712 +0425_00158 10,11,12,13,15,19,20,21,179,180,186,187,256,258,284,285,286,287,300,333,342,345,346,347,352,353,356,366,367,371,372,375,381,382,383,385,391,393,394,406,417,421,435,442,447,452,453,471,477,491,499,517,521,525,529,541,542,543,549,553,557,560,565,566,567,571,574,575,579,583,585,590,595,596,600,604,605,607,609,613,615,616,619,620,621,627,633,635,638,641,642,644,646,647,652,656,660,661,665,667,669,678,679,680,681,682,690,720,783 +0425_00159 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,358,359,367,371,372,375,376,377,380,381,384,385,388,390,391,393,394,397,404,406,415,417,419,421,431,432,435,438,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,483,484,485,488,491,494,496,503,505,507,517,520,521,524,525,531,532,533,536,539,540,546,547,549,550,553,554,556,557,561,565,571,573,574,575,579,580,583,585,586,593,594,595,596,597,598,600,601,602,604,605,609,614,619,620,622,624,629,634,635,637,638,641,642,648,655,656,658,661,665,666,667,669,672,673,675,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00160 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,352,353,354,356,357,359,360,367,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,415,417,419,421,431,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,473,484,485,488,491,494,505,507,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,595,596,597,598,600,604,605,609,619,620,624,635,637,638,641,642,648,655,656,661,665,667,669,672,673,678,679,680,681,685,689,690,693,699,705,709,710,711,758,821 +0425_00161 10,11,12,13,19,20,21,179,183,186,190,284,285,287,309,333,334,336,340,342,345,347,353,367,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,565,572,574,580,582,583,600,615,618,620,638,640,641,642,643,661,665,668,679,680,681,685,689,690,691,693,694,697,698,699,700,702,705,706,709,710,711,713 +0425_00162 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,503,507,517,520,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,692,696,703,709,710,711,713 +0425_00163 10,11,12,13,15,16,19,20,144,149,150,179,180,181,182,186,256,257,258,284,285,286,287,300,309,333,334,336,337,341,345,352,353,356,357,358,359,371,372,375,376,377,378,381,385,386,387,388,391,393,394,397,404,407,417,419,421,431,432,435,438,439,440,441,442,443,444,447,450,451,452,453,454,465,471,473,483,488,491,494,496,503,507,517,520,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713,759,822 +0425_00164 10,11,12,15,16,19,20,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,352,353,356,357,358,359,366,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,668,669,672,673,674,678,679,680,681,683,684,685,686,689,690,692,693,696,703,709,710,711,713 +0425_00165 10,11,12,13,15,16,19,20,144,149,150,179,180,256,284,285,286,287,300,333,334,336,337,341,345,352,353,356,357,367,371,372,375,376,381,385,391,393,394,406,417,419,421,431,435,439,440,441,442,443,444,447,451,452,453,454,465,471,488,491,494,517,520,521,525,536,537,539,549,550,553,554,556,557,565,570,571,574,575,577,579,580,583,585,593,595,596,597,598,600,604,605,608,609,612,614,619,620,624,629,634,635,638,641,642,646,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,686,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0425_00166 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,345,350,352,353,354,356,357,359,367,369,371,372,375,376,377,380,381,382,385,388,390,391,393,394,397,404,406,415,417,419,421,431,435,441,442,443,444,447,450,451,452,453,454,458,460,465,466,471,473,477,483,485,488,491,494,496,499,503,505,507,517,520,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,609,614,619,620,622,624,627,629,635,637,638,639,640,641,642,648,653,654,655,656,658,661,665,667,669,672,673,675,678,679,680,681,685,689,690,693,697,699,705,709,710,711,713,756,819 +0425_00167 10,11,12,13,15,19,20,21,31,144,146,147,179,180,186,187,256,284,285,286,287,293,309,315,333,334,336,339,341,345,346,347,348,349,352,353,356,357,366,367,368,371,372,375,381,385,391,392,406,407,408,411,412,417,421,426,431,435,440,441,442,444,447,452,453,457,471,491,517,521,525,536,537,541,553,557,564,565,567,571,579,580,583,585,593,596,600,603,604,609,614,615,618,619,635,638,641,646,647,657,660,661,662,665,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713 +0425_00168 10,11,12,13,15,16,19,20,21,144,149,150,179,180,181,182,185,186,188,189,193,200,256,257,258,259,260,284,285,286,287,309,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,375,377,378,381,382,383,385,386,387,388,391,392,397,398,404,406,407,417,419,421,431,432,435,438,440,441,442,443,444,447,450,452,453,454,463,465,471,473,483,491,494,496,499,503,507,517,521,522,524,525,531,536,538,539,540,541,542,543,546,547,549,550,553,554,556,557,565,568,570,571,574,575,577,578,579,580,582,583,585,586,591,593,594,595,596,598,600,601,604,605,607,608,609,612,614,615,618,619,620,624,629,634,635,638,639,641,642,643,646,647,652,656,657,658,661,663,664,665,666,667,668,669,672,678,679,680,681,682,683,684,685,687,689,690,692,693,694,695,696,697,698,699,700,703,704,705,708,709,710,711,713,722,736,738,756,757,759,785,799,801,819,820,822 +0425_00169 10,11,12,13,15,16,17,19,20,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,300,301,309,333,334,336,339,341,345,346,352,353,356,357,359,360,366,371,372,375,376,380,381,385,390,391,392,399,407,417,419,421,423,431,435,439,440,441,442,443,444,447,451,452,453,465,471,487,491,516,517,518,521,523,525,531,536,537,539,541,550,553,556,557,565,567,571,577,579,580,583,585,593,596,600,603,604,608,609,614,618,619,629,634,635,638,641,646,647,657,660,661,665,669,678,679,680,684,685,689,697,698,709,710,711,713,714,756,777,819 +0425_00170 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0425_00171 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,393,394,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705,709,710,711,715,778 +0425_00172 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,515,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00173 10,11,12,15,16,19,20,21,34,130,133,284,285,286,287,294,300,309,333,334,339,341,345,346,352,353,354,366,375,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,659,683,686,687,688,709,710 +0425_00174 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,346,352,353,354,356,359,366,371,372,373,374,375,376,377,378,380,384,385,388,390,391,393,394,397,404,415,417,419,421,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,492,496,503,505,507,517,520,521,522,524,525,531,532,533,539,540,541,546,547,550,553,556,557,561,565,571,573,577,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00175 10,11,12,15,16,17,19,20,21,31,144,146,147,179,181,182,256,257,258,259,284,285,286,287,293,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,570,573,586,594,597,602,612,614,616,622,629,637,655,657,658,660,675 +0425_00176 10,11,12,13,15,16,19,20,21,179,183,284,285,286,287,300,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,620,638,639,641,644,646,647,657,660,661,667,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0425_00177 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,300,302,306,333,341,342,345,352,353,354,356,359,371,372,375,376,377,378,379,380,382,384,385,388,391,393,394,396,415,417,419,421,424,433,435,438,439,440,442,443,444,447,450,451,452,455,458,460,465,466,471,484,491,494,496,499,503,515,517,521,524,525,531,532,533,536,539,540,542,543,546,547,549,550,553,554,556,557,559,565,571,574,579,581,583,585,586,593,596,600,601,604,608,609,614,619,625,629,634,635,639,641,644,646,653,657,658,661,665,666,669,674,678,679,680,684,726,789 +0425_00178 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,334,337,341,345,350,352,353,354,369,375,391,393,394,409,415,417,421,435,440,442,444,447,452,458,459,460,465,466,517,554,644,646,657,673 +0425_00179 10,11,12,19,20,21,144,147,151,154,179,182,284,285,287,309,333,340,342,345,347,353,367,375,381,406,407,421,441,444,453,463,536,538,564,568,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0425_00180 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,258,284,285,286,287,300,309,333,334,336,339,341,342,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,382,383,385,391,392,393,394,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,477,491,494,496,499,503,517,521,525,529,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,576,579,580,582,583,585,586,590,593,594,595,596,598,600,601,604,605,607,608,609,614,615,618,619,620,621,624,626,627,629,633,634,635,638,640,641,642,643,644,646,647,652,656,657,658,661,665,666,667,668,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,703,705,706,709,710,711,714,736,757,759,777,799,820,822 +0425_00181 10,11,12,13,14,15,16,17,19,20,144,146,147,151,153,154,179,180,186,187,193,194,200,201,256,257,258,259,260,262,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,360,366,371,372,375,376,377,378,380,381,385,387,388,390,391,392,397,398,404,407,417,419,421,431,432,435,438,439,441,442,443,444,447,450,451,453,454,465,471,473,483,485,486,488,491,494,496,500,503,505,507,517,520,521,522,524,525,531,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,577,579,580,583,585,586,593,596,597,598,600,601,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,661,665,666,668,669,672,673,675,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,714,717,735,738,756,759,771,777,780,798,801,819,822,834 +0425_00182 10,11,12,15,16,17,19,20,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,358,359,371,372,375,376,377,378,380,384,385,388,390,391,393,394,397,404,415,417,419,421,432,435,438,440,442,443,444,447,450,451,452,454,458,460,465,466,471,473,483,484,485,488,491,496,503,505,507,517,520,521,524,525,531,532,533,539,540,546,547,550,553,556,557,561,565,571,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,614,619,622,629,634,635,637,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00183 10,11,12,15,16,19,20,34,35,144,146,147,179,180,256,257,258,284,285,286,287,294,300,306,333,341,345,346,350,352,353,354,356,359,366,369,371,372,373,374,375,376,377,378,380,384,385,388,391,393,394,397,404,413,415,417,419,421,422,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,501,503,507,508,509,512,514,517,521,522,525,532,533,534,540,541,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,655,657,658,661,665,666,669,675,678,679,680,684,726,789 +0425_00184 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,345,346,352,356,359,366,371,372,373,374,376,377,380,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,442,443,446,447,448,450,451,452,454,465,473,483,485,488,489,492,496,503,505,507,517,520,522,524,528,529,531,539,540,541,546,547,550,556,561,573,577,586,594,597,600,602,614,622,629,637,644,646,647,655,658,675 +0425_00185 10,11,12,15,16,19,20,21,34,35,144,147,179,184,185,256,257,284,285,286,287,294,300,306,333,334,339,341,345,346,347,352,353,354,356,357,366,367,371,372,375,384,385,391,393,394,406,413,415,417,422,431,435,442,447,458,460,465,466,471,472,480,481,484,491,501,508,514,521,525,529,532,533,541,550,553,557,565,570,571,583,587,593,596,600,608,609,612,614,629,634,635,639,641,644,657,659,661,669,679,684,709,711 +0425_00186 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,345,346,350,352,353,354,366,369,375,391,393,394,409,415,421,440,444,452,458,459,460,466,529,541,614,644,646,647,657 +0425_00187 10,11,12,13,14,19,20,21,22,23,144,147,151,154,158,161,179,182,186,189,193,196,200,203,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,536,564,568,572,580,582,583,611,615,618,638,640,643,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00188 10,11,12,13,19,20,179,180,186,187,193,194,256,258,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,386,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,735,756,777,798,819 +0425_00189 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,301,333,341,345,352,353,356,358,359,366,367,371,372,375,377,378,382,385,388,391,393,394,397,417,419,421,423,432,435,438,440,442,443,444,447,449,450,452,454,465,468,471,478,483,491,494,496,497,500,503,516,517,519,521,522,524,525,529,531,536,537,539,540,541,546,547,548,550,553,554,556,557,565,570,571,578,579,580,581,583,585,586,593,594,596,600,601,602,603,604,608,609,612,614,617,619,622,624,625,629,634,635,641,645,646,657,658,661,665,666,669,672,674,678,679,680,684 +0425_00190 10,11,12,15,16,17,19,20,21,34,179,181,182,186,188,189,256,257,258,259,284,285,286,287,294,300,306,333,334,345,346,352,353,354,356,357,359,366,367,371,372,373,374,375,376,377,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,436,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,469,471,473,474,476,477,483,484,485,488,491,492,494,496,499,503,505,507,517,520,521,522,524,525,531,532,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,577,578,579,580,581,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,625,627,629,634,635,637,639,640,641,647,648,653,654,655,657,658,661,665,666,667,669,672,673,674,675,678,679,684,685,696,709,710 +0425_00191 10,11,12,13,15,16,19,20,21,144,146,147,179,180,256,257,258,284,285,286,287,300,302,333,334,335,341,342,345,352,353,356,357,358,359,367,371,372,375,377,382,383,385,388,391,393,394,396,406,417,419,421,424,431,432,435,438,440,442,443,444,447,450,452,455,465,471,477,491,494,496,499,503,515,517,521,524,525,531,536,539,540,542,543,546,547,549,550,553,554,556,557,559,560,565,566,571,574,575,576,579,580,581,582,583,585,586,590,593,594,595,596,598,600,601,602,604,605,607,608,609,614,619,620,622,624,625,626,627,629,634,635,638,639,640,641,642,643,644,646,651,652,653,654,656,657,658,661,665,666,667,669,672,674,678,679,680,681,684,685,689,690,691,693,699,701,702,705,709,710,711,712,741,757,804,820 +0425_00192 10,11,12,15,16,17,19,20,21,34,35,144,147,179,181,182,256,257,258,259,284,285,286,287,294,300,306,333,345,350,352,353,354,356,359,360,367,369,371,372,375,376,380,381,384,385,390,391,393,394,397,404,406,413,415,417,419,421,422,435,439,441,442,443,444,447,451,452,453,454,458,460,466,471,472,473,481,484,485,488,491,494,501,505,507,508,514,517,520,521,525,532,533,536,540,549,553,554,557,561,565,571,573,574,575,579,580,583,585,587,595,596,597,598,604,605,609,620,624,635,637,638,641,642,648,655,656,659,661,665,667,669,672,678,679,681,685 +0425_00193 10,11,15,16,19,144,146,147,179,180,256,257,258,284,285,286,301,302,309,333,341,345,352,356,358,359,371,372,377,378,385,387,388,396,417,419,423,432,435,438,442,443,447,450,465,471,478,486,491,500,503,515,516,517,521,524,525,531,539,540,546,547,548,550,553,556,557,565,570,571,577,579,583,585,593,596,600,601,604,608,609,619,634,635,641,661,665,666,669,678,679,680,684,771,834 +0425_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +0425_00195 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,341,345,352,356,366,371,372,375,377,378,385,391,394,417,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684 +0425_00196 10,11,12,13,19,20,179,180,183,186,187,193,256,258,284,285,287,309,333,334,335,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,714,735,756,777,798,819 +0425_00197 10,11,12,15,16,19,20,179,180,186,187,214,219,220,256,258,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,367,371,372,376,377,378,385,391,392,394,407,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,549,550,553,557,561,565,568,571,572,574,575,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,620,629,634,635,638,639,641,642,646,655,656,657,658,661,664,665,666,668,669,675,678,679,680,681,683,684,689,690,697,698,699,709,710,711,759,822 +0425_00198 10,11,12,15,16,19,20,21,144,149,150,179,181,182,256,257,284,285,286,287,300,309,333,334,336,337,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,376,377,381,385,388,391,393,394,397,404,406,407,417,419,421,431,432,435,436,438,439,440,441,442,443,444,446,447,448,450,451,452,453,454,465,471,473,483,488,491,492,494,496,507,520,521,522,524,525,531,536,537,539,541,546,549,550,553,554,556,557,565,570,571,574,575,577,578,579,580,581,583,585,586,593,595,596,597,598,600,601,604,605,608,609,612,614,618,619,620,624,625,629,634,635,638,639,641,642,646,656,657,658,661,665,666,667,668,669,672,673,674,678,679,680,681,683,684,685,686,690,691,692,694,696,701,703,704,709,710,711,713 +0425_00199 10,11,12,15,16,17,19,20,34,144,146,147,256,257,284,285,286,287,294,301,333,334,335,345,347,350,352,353,354,359,360,366,367,369,375,376,380,381,390,391,392,397,404,406,413,419,421,423,439,441,443,444,451,452,453,454,468,473,474,476,485,487,488,490,505,507,508,516,518,519,520,539,541,561,573,597,614,615,637,645,647,648,655 +0425_00200 10,11,12,15,19,20,179,180,181,182,186,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,529,536,541,553,557,565,571,579,580,581,583,585,593,596,598,600,604,608,609,614,618,619,635,638,639,641,642,644,656,657,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713 +0425_00201 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,618,619,620,624,626,627,635,638,641,642,643,652,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,697,698,699,705,706,709,710,711,715,757,778,820 +0425_00202 10,11,12,15,19,20,144,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,347,352,353,356,357,367,371,372,375,377,378,382,385,391,393,394,406,410,417,421,431,433,435,437,438,440,442,444,447,449,450,452,465,471,477,491,494,496,499,503,517,521,525,536,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,581,582,583,585,586,589,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,629,633,634,635,638,639,641,642,643,644,646,652,656,657,658,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,688,709,711 +0425_00203 10,11,12,15,19,20,21,179,180,256,284,285,286,287,300,333,340,341,342,345,347,352,353,356,367,371,372,375,377,378,381,382,383,385,391,393,394,406,417,421,435,438,442,447,450,452,453,465,471,477,491,496,499,503,517,521,525,542,543,545,546,547,549,550,553,557,560,565,566,568,571,574,575,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,613,614,615,619,620,621,627,629,631,633,634,635,638,639,641,642,644,646,652,653,656,658,661,663,665,666,667,669,678,679,680,681,683,684,690,692,703,704,722,743,762,785,806,825 +0425_00204 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,345,352,353,356,357,371,372,375,385,391,394,395,399,417,421,431,435,440,442,444,447,452,465,471,491,494,516,517,519,521,523,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,614,619,624,629,634,635,641,646,657,661,665,669,672,673,678,679,680,684,685,689,693,697,698,705,709,710,711,714,735,777,798 +0425_00205 10,11,12,15,19,20,144,146,147,179,183,284,285,286,287,300,333,334,336,345,352,353,391,393,394,417,421,435,440,442,444,447,452,491,517,525,536,557,580,583,593,600,614,641,644,646,651,657,661,679,680,684,685,686,688,709,710,711,713 +0425_00206 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,337,341,342,345,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,619,620,624,627,629,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,683,684,685,687,689,690,693,697,698,699,700,705,709,710,711,713,735,736,756,757,798,799,819,820 +0425_00207 10,11,12,13,19,20,21,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,353,356,357,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00208 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,463,471,491,499,517,521,525,536,538,542,543,549,553,557,565,571,572,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,685,689,690,693,694,697,698,699,700,705,709,710,711,712,713,715,736,756,777,778,798,799,819,841,861 +0425_00209 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00210 10,11,15,16,19,20,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,466,508,529,539,540,541,560,587,647 +0425_00211 10,11,12,13,15,16,19,20,34,144,146,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,302,306,333,334,341,342,345,352,353,354,356,357,358,359,371,372,375,377,382,384,385,388,396,415,417,419,421,424,431,432,433,435,438,442,443,444,447,450,455,458,460,465,466,471,484,491,494,499,515,517,521,524,525,531,532,533,536,539,542,546,549,550,553,554,556,557,559,565,571,574,575,577,579,580,581,583,585,593,596,598,600,601,604,607,608,609,619,620,624,625,634,635,638,639,641,642,652,653,656,661,665,666,669,672,674,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,716,779 +0425_00212 10,11,12,13,19,20,179,180,186,187,256,284,285,287,309,333,334,335,336,340,342,345,347,353,356,357,367,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,517,521,525,542,543,549,553,557,565,571,572,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,712,713,714,736,757,777,799,820 +0425_00213 10,11,12,13,14,15,16,17,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,300,301,309,333,334,335,339,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,381,385,388,391,393,394,395,397,399,404,406,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,496,503,507,516,517,519,521,522,523,524,525,529,531,536,537,539,540,541,546,547,550,553,556,557,560,565,567,570,571,572,577,578,579,580,583,585,586,593,594,596,600,601,603,604,608,609,612,614,618,619,629,634,635,638,641,644,646,647,657,658,660,661,665,666,669,678,679,680,681,684,689,690,697,698,699,709,710,711,712,714,777 +0425_00214 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,333,340,341,342,345,346,347,352,353,356,366,367,371,372,375,377,378,381,385,391,393,394,406,417,421,435,438,440,442,444,447,450,452,453,463,465,471,491,496,503,517,521,525,529,536,538,541,546,547,550,553,557,560,565,567,571,579,583,585,586,593,596,600,601,604,606,608,609,613,614,616,619,629,634,635,641,644,646,647,657,658,660,661,665,666,669,678,679,680,684 +0425_00215 10,11,12,15,19,20,179,180,256,284,285,286,287,309,333,339,341,345,346,352,353,356,366,371,372,375,377,378,381,385,391,392,407,417,421,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,503,517,521,525,537,538,541,546,547,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684 +0425_00216 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0425_00217 10,11,12,15,19,20,21,34,179,180,186,187,256,284,285,286,287,294,302,333,334,336,341,342,345,352,353,354,356,357,369,371,372,375,377,378,384,385,396,402,413,415,417,421,424,431,433,435,438,442,444,447,450,455,456,458,460,465,466,471,491,494,501,503,508,515,517,521,525,532,533,536,546,547,550,553,554,557,559,565,571,579,580,581,583,585,587,589,593,596,598,600,601,604,608,609,619,624,625,630,634,635,641,661,665,666,669,672,673,674,678,679,680,684,685,689,693,695,696,697,698,705,707,708,709,710,711,716,747,759,779,810,822 +0425_00218 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,301,333,334,340,341,342,345,347,352,353,356,357,367,371,372,375,377,378,381,382,383,385,394,395,399,406,417,421,431,435,438,442,447,450,452,453,465,471,477,478,491,499,503,511,516,517,519,521,523,525,542,543,544,546,547,549,550,553,557,560,565,566,567,571,574,575,579,583,585,590,593,595,596,600,601,604,605,607,608,609,613,616,619,620,627,634,635,638,641,642,644,652,656,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,738,764,778,801,827 +0425_00219 10,11,12,15,16,19,179,180,256,284,285,286,287,300,333,334,336,341,345,352,356,357,371,372,375,376,377,378,385,391,393,394,417,421,431,435,438,442,447,450,452,465,471,491,496,503,517,521,525,546,547,550,553,557,561,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,646,655,658,661,665,666,669,675,678,679,680,684,689,697,698,709,710,711,713,717,780 +0425_00220 10,11,12,13,15,16,19,20,21,34,144,147,179,180,186,187,256,257,258,260,284,285,286,287,294,300,306,333,334,341,342,345,346,347,352,353,356,357,366,367,369,371,372,375,377,378,382,383,385,386,391,392,394,406,410,415,417,421,431,433,435,438,442,444,447,450,458,460,465,471,477,491,494,499,503,517,521,525,536,541,542,543,546,547,549,550,553,554,557,565,566,571,574,575,579,580,582,583,585,589,590,593,595,596,598,600,601,604,605,607,608,609,614,615,619,620,621,624,626,627,633,634,635,638,639,641,642,643,644,652,656,657,661,665,666,667,669,672,673,678,679,680,681,683,684,685,686,687,688,689,690,692,693,694,696,697,698,699,700,704,705,706,708,709,710,711,713,715,722,738,757,778,785,801,820 +0425_00221 10,11,12,13,15,16,19,20,21,144,146,147,179,180,186,187,193,194,256,258,260,284,285,286,287,300,301,333,334,338,341,342,345,352,353,356,357,371,372,375,377,378,381,382,383,385,391,394,395,399,406,417,421,431,435,438,440,442,444,447,450,452,453,463,465,471,477,478,491,499,503,516,517,519,521,523,525,536,538,542,543,546,547,549,550,553,557,565,566,567,571,574,575,579,580,583,585,590,593,595,596,598,600,601,604,605,606,607,608,609,613,614,615,616,619,620,621,627,633,634,635,638,641,642,644,646,651,652,656,660,661,665,666,667,669,678,679,680,681,684,685,689,690,691,693,697,698,699,700,701,702,705,709,710,711,713,715,778 +0425_00222 10,11,12,13,15,16,19,20,21,34,144,147,151,154,179,180,186,187,256,258,284,285,286,287,294,300,306,309,333,334,336,339,340,341,342,345,346,347,348,352,353,354,356,357,366,367,368,371,372,375,377,378,381,384,385,391,393,394,406,407,415,417,421,431,435,438,442,447,450,452,453,458,460,465,466,471,484,491,503,517,521,525,529,532,533,541,546,547,550,553,557,560,564,565,567,568,571,572,579,583,585,593,594,596,600,601,604,608,609,611,613,614,615,618,619,634,635,638,640,641,644,646,647,657,660,661,662,663,665,666,669,678,679,680,681,682,684,689,690,691,697,699,701,709,710,711,726,789 +0425_00223 10,11,12,13,14,15,16,17,19,20,21,34,35,144,146,147,151,153,154,179,180,186,187,256,257,258,259,260,262,284,285,286,287,294,300,309,333,334,336,339,340,341,342,345,346,347,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,381,384,385,388,391,392,393,394,397,404,406,407,413,417,419,421,422,431,432,435,436,438,440,442,443,444,446,447,448,450,452,453,454,465,471,473,474,475,476,481,483,490,491,492,496,501,503,507,508,509,514,517,521,522,524,525,529,532,533,534,536,537,539,540,541,546,547,549,550,553,557,560,561,565,567,570,571,572,574,579,580,583,585,586,587,593,595,596,600,603,604,605,608,609,612,613,614,618,619,629,635,637,638,639,641,644,646,647,655,657,658,659,660,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711 +0425_00224 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,762,777,778,798,799,819,825,861 +0425_00225 10,11,12,13,19,20,21,116,119,144,145,147,151,179,180,183,186,187,193,284,285,287,333,334,335,336,338,340,342,345,347,353,367,375,381,406,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,580,583,600,615,638,641,642,661,672,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0425_00226 10,11,12,15,16,19,20,21,179,183,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,491,525,529,536,541,554,557,567,570,574,580,583,593,595,600,612,614,615,616,618,620,638,639,641,644,646,647,657,660,661,667,668,672,673,679,680,681,683,684,685,686,689,690,692,693,696,699,703,704,705,708 +0425_00227 10,11,12,13,15,16,17,18,19,20,21,22,179,180,256,284,285,286,287,300,309,333,334,336,339,341,342,345,346,352,353,356,357,366,371,372,375,376,381,382,383,385,391,393,394,407,417,419,421,431,435,440,441,442,444,447,451,452,453,454,471,488,491,499,517,521,525,529,536,537,541,542,543,549,553,557,565,567,570,571,574,575,579,580,581,583,585,591,593,596,600,603,604,607,608,609,612,614,618,619,620,635,638,639,641,642,644,646,647,652,656,657,660,661,665,668,669,678,679,680,681,683,684,685,686,687,688,689,690,693,696,697,699,705,709,710,711,715,778 +0425_00228 10,11,12,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,341,345,352,353,354,356,359,367,371,372,375,376,377,378,379,380,382,384,385,388,390,391,393,394,397,404,406,415,417,419,421,435,438,439,440,442,443,444,447,450,451,452,454,458,460,465,466,471,473,477,483,484,485,488,491,496,499,503,505,507,517,520,521,524,525,531,532,533,539,540,542,543,546,547,549,550,553,556,557,561,565,566,571,573,574,579,583,585,586,590,593,594,595,596,597,600,601,602,604,605,608,609,614,619,622,627,629,634,635,637,639,641,644,646,653,655,657,658,661,665,666,667,669,675,678,679,680,684,726,789 +0425_00229 10,11,12,13,19,20,179,180,183,186,256,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,382,383,385,407,417,431,435,442,447,471,491,499,521,525,542,543,549,553,557,565,571,574,575,576,579,583,585,591,596,600,604,607,609,618,619,620,635,638,640,641,642,652,654,656,661,665,668,669,678,679,680,681,689,690,691,697,698,699,700,702,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00230 10,11,12,13,19,20,179,180,183,185,186,193,256,284,285,287,309,333,334,336,338,342,345,347,353,356,357,367,371,372,375,382,383,385,406,407,417,431,435,442,447,471,477,491,499,521,525,542,543,549,553,557,565,566,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,633,635,638,640,641,642,652,654,656,661,665,667,668,669,678,679,680,681,689,690,691,697,698,699,700,701,702,709,710,711,713,714,736,741,757,777,799,804,820 +0425_00231 10,11,15,16,17,34,144,146,147,179,181,182,256,257,258,259,284,285,286,294,300,333,341,352,354,356,358,359,360,366,374,376,377,378,379,380,384,385,387,388,389,390,391,393,394,397,400,401,404,417,419,422,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,509,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0425_00232 10,11,15,34,35,144,146,147,179,180,256,257,258,284,285,286,294,300,333,341,345,352,354,356,358,359,371,372,377,378,384,385,387,388,391,393,394,397,400,401,404,413,417,419,422,432,435,438,442,443,447,450,454,465,471,472,473,474,475,476,479,481,483,490,491,496,501,503,507,508,509,512,514,517,521,524,525,528,531,532,533,534,539,540,546,547,550,553,556,557,565,571,577,579,583,585,586,587,593,596,600,601,604,608,609,614,619,629,634,635,641,644,658,661,665,666,669,678,679,680,684,768,831 +0425_00233 10,11,12,15,16,19,20,34,179,180,256,284,285,286,300,306,333,334,341,345,352,356,357,366,371,372,375,377,378,385,391,394,417,431,435,438,442,447,450,460,465,471,491,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,593,596,600,601,604,608,609,619,634,635,641,644,661,665,666,669,678,679,680,684,689,709,710,711,717,780 +0425_00234 10,11,12,13,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,579,580,583,585,589,590,591,595,596,600,604,605,607,609,618,619,620,627,631,632,635,638,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0425_00235 10,11,12,15,16,19,20,34,179,181,182,284,285,286,287,294,300,333,334,335,336,345,352,353,375,376,391,393,394,421,422,440,444,452,509,512,536,561,580,581,583,589,593,594,614,637,648,655,680,684,685,689,693,709,710,711,712,713 +0425_00236 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00237 10,11,15,16,17,34,179,181,182,256,257,284,285,286,294,300,301,333,339,341,345,346,352,366,369,375,376,380,390,391,393,394,397,404,413,419,423,451,454,474,476,485,488,490,505,520,529,541,561,573,597,637,644,655 +0425_00238 10,11,12,15,16,17,19,20,21,34,35,179,180,256,284,285,286,287,294,300,333,341,345,352,356,367,371,372,375,376,377,378,381,385,391,393,394,406,417,421,422,435,438,442,447,450,452,453,465,471,491,496,503,509,512,517,521,525,546,547,548,550,553,557,560,561,565,570,571,579,583,585,586,593,596,600,601,604,608,609,612,614,619,629,634,635,637,641,644,648,655,658,661,665,666,669,675,678,679,680,684,771,834 +0425_00239 10,11,12,15,16,17,19,20,21,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,415,417,421,424,433,435,442,444,446,447,450,455,456,458,465,466,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0425_00240 10,11,19,20,21,31,34,284,285,287,315,333,334,345,347,353,367,375,381,406,408,412,417,421,431,441,442,444,447,453,499,536,554,574,595,600,667,673 +0425_00241 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,302,333,334,341,345,346,352,353,356,357,366,371,372,375,377,378,385,391,392,393,394,396,417,421,431,435,438,440,442,444,447,450,452,465,471,491,496,515,517,521,525,537,541,546,550,553,557,565,570,571,579,583,585,586,593,596,600,601,603,604,608,609,612,614,619,629,634,635,641,644,646,657,658,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00242 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,841,861,862 +0425_00243 10,11,12,13,14,19,20,21,22,144,147,179,182,185,186,189,193,196,200,284,285,287,309,333,334,336,338,340,342,345,347,353,367,375,381,406,407,417,421,433,435,441,442,444,447,453,491,517,525,536,557,564,568,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,663,664,667,668,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00244 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,338,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,618,619,620,627,635,638,639,641,642,644,652,656,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,713,715,778 +0425_00245 10,11,12,13,15,16,19,20,21,34,144,146,147,151,154,179,180,256,257,258,259,260,284,285,286,287,294,309,333,334,341,345,346,350,352,353,354,356,357,358,359,360,366,369,371,372,373,374,375,376,377,380,381,384,385,388,390,391,392,397,398,404,407,413,417,419,421,422,431,432,435,436,438,439,441,442,443,444,446,447,448,450,451,453,454,465,471,472,473,481,483,485,486,488,491,492,494,496,500,501,503,505,507,508,514,517,520,521,522,524,525,532,533,536,539,540,541,546,547,548,549,550,553,554,556,557,561,565,570,571,573,574,575,579,580,583,585,586,587,593,596,597,598,600,604,608,609,612,614,618,619,620,624,629,634,635,637,638,641,642,655,656,657,658,659,661,665,668,669,672,673,675,678,679,680,681,684,685,689,690,693,699,700,705,709,710,711,714,777 +0425_00246 10,11,12,13,15,19,20,179,180,186,187,214,220,256,258,284,285,286,287,309,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,381,382,383,385,391,392,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,541,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,614,615,618,619,620,621,627,633,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,715,735,756,757,778,798,819,820 +0425_00247 10,11,12,13,15,19,20,179,180,186,187,256,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,698,699,705,709,710,711,713,777 +0425_00248 10,11,15,16,17,19,20,284,285,286,287,300,302,333,341,345,346,352,353,366,367,375,376,391,393,394,396,419,420,421,430,432,440,443,444,452,529,536,541,561,569,614,637,644,646,647,648,651,655 +0425_00249 10,11,12,15,19,20,21,31,34,284,285,286,287,300,305,315,333,340,342,345,346,347,352,353,366,367,375,381,394,406,408,412,417,421,435,441,442,444,447,453,499,525,529,554,574,595,600,615,620,644,667,672 +0425_00250 10,11,12,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,683,684,685,686,690,693,700,709,710,711 +0425_00251 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,580,581,583,585,590,593,594,595,596,600,604,605,607,609,614,615,618,619,620,621,627,631,633,635,638,640,641,642,644,646,647,652,656,657,661,663,665,667,669,678,679,680,681,683,684,685,687,689,690,693,696,697,698,699,700,705,708,709,710,711,713,715,736,762,778,799,825 +0425_00252 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00253 10,11,12,15,19,20,21,34,35,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,384,385,391,392,406,409,413,415,417,421,422,431,438,440,442,444,447,450,452,458,459,460,465,466,471,472,481,491,496,501,508,521,525,532,534,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0425_00254 10,11,12,13,14,15,19,20,21,22,23,179,182,186,189,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,394,406,407,417,421,435,441,442,444,447,453,491,517,525,529,536,557,564,565,567,568,572,574,580,582,583,593,595,600,611,615,618,620,638,639,640,641,642,643,644,661,662,663,664,665,667,679,680,681,682,685,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711 +0425_00255 10,11,12,13,15,16,19,20,21,34,116,117,284,285,286,287,294,300,309,333,334,335,336,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,413,417,421,435,438,440,441,442,444,447,450,452,453,491,503,508,525,529,536,537,554,557,567,574,580,583,587,593,603,614,618,620,641,644,646,657,659,660,661,668,672,673,679,684,685,709,710,712,713 +0425_00256 10,11,12,13,14,19,20,21,22,144,147,179,182,183,185,186,189,193,196,200,207,284,285,287,309,333,334,336,338,340,342,345,347,348,353,367,368,375,381,406,407,417,421,431,435,441,442,444,447,453,491,517,525,536,557,564,565,568,572,574,580,582,583,595,600,611,615,618,620,638,640,641,642,643,661,662,663,664,665,667,668,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,713 +0425_00257 10,11,12,13,14,15,16,19,20,21,22,179,182,186,189,284,285,286,287,302,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,392,396,406,407,419,421,432,441,443,444,453,536,539,540,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,660,662,663,664,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00258 10,11,15,16,19,20,21,34,284,285,286,287,294,300,302,333,341,345,350,352,354,366,369,375,381,391,393,394,396,413,415,419,421,432,443,452,453,458,460,466,508,529,539,540,541,560,587,647 +0425_00259 10,11,12,15,16,17,19,179,181,182,184,185,186,256,257,284,285,286,287,300,301,333,334,341,345,346,352,356,357,359,366,371,372,373,374,375,376,377,385,388,391,394,395,397,399,404,417,419,421,431,432,435,436,442,443,446,447,448,450,452,454,465,468,471,473,483,491,492,496,503,507,516,517,518,519,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,636,641,645,646,647,655,657,658,661,665,666,669,678,679,684,709,710 +0425_00260 10,11,12,13,15,16,19,20,179,180,185,186,187,193,256,258,284,285,286,287,300,301,333,334,337,341,342,345,347,352,353,356,357,367,371,372,375,382,383,385,391,394,395,399,406,417,421,431,435,440,442,444,447,452,465,471,477,491,494,499,516,517,519,521,523,525,536,542,543,549,550,553,554,557,565,566,571,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,624,627,629,633,634,635,638,641,642,646,652,656,657,661,665,667,669,672,673,678,679,680,681,684,685,689,690,692,693,694,697,698,699,700,705,706,709,710,711,713,715,735,736,756,757,778,798,799,819,820 +0425_00261 10,11,12,13,15,16,19,34,144,149,150,179,180,186,187,256,258,284,285,286,287,294,300,301,333,334,337,341,345,352,353,356,357,369,371,372,375,376,377,378,385,391,394,395,399,413,417,419,421,431,435,438,440,442,444,447,450,451,452,454,465,471,476,478,488,490,491,503,516,517,519,520,521,523,525,536,537,546,547,550,553,557,565,570,571,579,580,583,585,593,596,597,598,600,601,604,608,609,612,614,619,634,635,641,644,661,665,666,669,678,679,680,684,685,689,693,697,698,705,709,710,711,713 +0425_00262 10,11,12,13,15,16,19,20,179,180,186,187,256,258,284,285,286,287,300,302,333,334,341,342,345,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,396,406,417,419,421,431,432,435,440,442,443,444,447,452,471,477,491,499,517,521,525,529,536,539,541,542,543,549,553,556,557,565,566,571,574,575,577,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,641,642,647,652,656,661,665,667,669,678,679,680,681,684,685,689,690,692,693,694,697,699,700,703,705,709,710,711,713,714,736,756,757,777,799,819,820 +0425_00263 10,11,12,13,15,16,19,20,179,180,256,284,285,286,287,300,333,334,336,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,417,421,431,435,440,442,444,447,452,453,465,471,491,517,521,525,529,536,537,541,550,553,557,560,565,570,571,579,580,583,585,593,596,600,603,604,608,609,612,613,614,619,629,634,635,641,644,646,647,657,661,665,669,678,679,680,684,689,697,698,709,710,711,714,777 +0425_00264 10,11,12,13,15,16,17,19,20,21,34,179,180,181,182,186,256,257,258,284,285,286,287,294,300,306,333,334,341,345,352,353,354,356,357,359,366,367,371,372,375,376,377,378,380,382,384,385,388,390,391,392,393,394,397,404,406,415,417,419,421,431,435,438,440,442,443,444,447,449,450,451,452,454,458,460,465,466,471,473,477,483,484,485,488,491,494,496,499,503,505,507,517,520,521,524,525,529,531,532,533,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,571,573,574,576,579,580,583,585,586,590,593,594,595,596,597,598,600,601,602,604,605,608,609,614,619,622,624,627,629,630,634,635,637,639,640,641,644,646,647,648,653,654,655,658,661,665,666,667,669,672,673,675,678,679,680,684,685,689,693,696,705,708,709,710,711,717,747,758,780,810,821 +0425_00265 10,11,12,19,20,21,116,117,179,180,284,285,287,309,333,334,336,342,345,353,381,407,417,421,431,433,441,442,444,453,491,499,525,536,554,557,580,583,589,618,638,641,661,672,679,680,681,685,687,688,689,690,693,695,699,705,707,709,710,711 +0425_00266 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,341,345,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00267 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,339,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,697,698,709,710,711,735,759,798,822 +0425_00268 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,339,341,345,346,350,352,353,354,356,366,369,371,372,375,377,378,385,391,392,409,415,417,421,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684 +0425_00269 10,11,12,19,20,21,179,182,284,285,287,309,333,340,342,345,347,348,353,367,368,375,381,406,407,421,441,444,453,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,690,691,693,694,701,702,706 +0425_00270 10,11,12,13,19,20,179,180,256,284,285,287,309,333,340,342,345,347,353,356,367,371,372,375,381,382,383,385,406,407,417,421,435,441,442,444,447,453,463,471,477,491,499,517,521,525,536,538,542,543,549,553,557,565,566,568,571,574,575,579,580,583,585,590,595,596,600,604,605,606,607,609,615,618,619,620,621,627,633,635,638,641,642,652,656,661,663,664,665,667,669,678,679,680,681,685,689,690,693,697,699,705 +0425_00271 10,11,12,15,16,19,20,21,34,35,144,146,147,179,180,184,185,186,256,257,258,284,285,286,287,294,300,306,309,333,334,341,342,345,346,352,353,354,356,357,359,366,371,372,373,374,375,376,377,380,384,385,388,391,393,394,397,404,407,413,415,417,419,421,422,431,435,436,438,440,442,443,444,446,447,448,450,451,452,454,458,460,465,466,471,473,474,475,476,481,483,484,485,488,490,491,492,496,499,501,507,508,509,512,514,517,520,521,522,524,525,532,533,534,537,539,541,546,549,553,554,557,561,565,570,571,574,575,579,583,585,586,596,597,600,603,604,609,612,614,618,619,620,635,637,638,641,642,648,655,656,658,661,665,668,669,672,675,678,679,680,681,689,690,699,709,710,711,758,821 +0425_00272 10,11,12,13,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,336,342,345,353,356,357,371,372,375,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,623,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,693,694,695,697,698,699,700,705,706,707,709,710,711,713,757,820 +0425_00273 10,11,12,13,15,16,19,20,21,179,180,181,182,186,187,193,256,257,258,260,284,285,286,287,309,333,334,342,345,347,352,353,356,357,359,366,367,371,372,374,375,376,377,380,381,382,383,385,388,390,391,397,404,406,407,417,419,420,421,430,431,435,441,442,443,444,447,448,450,451,453,454,465,467,471,473,477,483,485,488,491,492,496,499,503,505,507,517,520,521,522,524,525,531,536,539,540,541,542,543,546,547,549,550,553,554,556,557,561,565,566,569,571,573,574,575,576,579,580,583,585,586,590,594,595,596,597,598,600,602,604,605,607,609,613,614,615,618,619,620,621,622,627,629,633,635,637,638,639,640,641,642,652,653,654,655,656,658,661,665,667,668,669,673,675,677,678,679,680,681,682,685,687,689,690,693,697,699,705,709,710,711,757,820 +0425_00274 10,11,12,13,15,16,19,20,21,34,144,146,147,179,180,256,284,285,286,287,294,300,302,333,334,339,341,342,345,346,350,352,353,354,356,357,366,367,369,371,372,375,377,378,382,383,384,385,391,392,393,394,396,406,413,415,417,421,431,435,438,440,442,444,447,450,452,458,460,465,466,471,477,491,494,499,501,503,508,515,521,525,529,532,533,534,536,541,542,543,546,547,549,550,553,554,557,565,566,570,571,574,575,579,580,582,583,585,587,590,593,595,596,598,601,604,605,607,608,609,612,614,619,620,624,626,627,629,634,635,638,639,641,642,643,644,646,647,652,653,656,657,659,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,721,737,743,757,768,780,784,800,806,820,831 +0425_00275 10,11,15,16,17,19,20,144,147,284,285,286,287,300,301,302,333,334,336,345,346,347,352,353,366,367,375,376,391,393,394,402,406,419,424,451,456,520,529,541,561,593,597,614,615,637,638,639,644,655,683,709 +0425_00276 10,11,12,15,19,20,21,34,144,147,256,257,284,285,286,287,294,309,333,334,339,341,345,346,347,350,352,353,354,356,357,366,367,369,371,375,377,378,381,384,385,391,392,406,407,413,417,421,422,431,438,440,441,442,444,447,450,452,453,463,465,471,472,481,491,496,501,508,521,525,532,534,537,538,541,546,550,553,557,565,567,571,579,583,585,586,587,596,600,603,604,609,614,616,629,630,635,641,646,647,657,658,659,660,661,665,669,678,679,709,710 +0425_00277 10,11,12,15,16,19,20,21,34,144,146,147,179,180,256,257,258,284,285,286,287,294,301,309,333,334,341,345,346,350,352,353,354,356,357,359,366,369,371,372,373,374,375,376,377,378,385,388,391,392,397,409,415,417,419,421,423,431,435,436,438,440,442,443,444,446,447,448,450,452,454,458,459,460,465,466,468,471,478,491,492,496,497,503,516,517,518,521,522,524,525,531,539,540,541,546,547,550,553,556,557,561,565,571,577,579,583,585,586,593,594,596,600,601,602,604,608,609,614,617,619,622,629,634,635,637,641,645,646,647,648,655,657,658,661,665,666,669,675,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00278 10,11,12,15,19,20,21,34,179,180,256,284,285,286,287,294,309,333,334,341,345,346,347,350,352,353,354,356,357,366,367,369,371,372,375,377,378,385,391,392,406,409,415,417,421,431,435,438,440,442,444,447,450,452,458,459,460,465,466,471,491,496,517,521,525,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00279 10,11,12,15,19,20,21,179,180,256,284,285,286,287,309,333,334,341,345,346,347,352,353,356,357,366,367,371,372,375,377,378,381,385,391,392,406,407,417,421,431,435,438,440,441,442,444,447,450,452,453,463,465,471,491,496,517,521,525,537,538,541,546,550,553,557,565,567,571,579,583,585,586,593,596,600,601,603,604,608,609,614,616,619,629,634,635,641,646,647,657,658,660,661,665,666,669,678,679,680,684,689,698,709,710,711,735,759,798,822 +0425_00280 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00281 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10,11,15,16,17,19,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,301,333,334,345,346,352,353,356,357,359,360,366,371,373,374,376,377,379,380,382,385,386,388,389,390,391,393,394,395,397,399,400,401,404,417,419,421,423,431,436,439,440,442,443,444,446,447,448,450,451,452,454,465,468,473,478,483,485,487,488,489,492,494,496,497,505,507,516,518,520,522,523,524,528,529,531,536,539,541,546,550,554,556,561,573,577,581,586,594,597,602,614,617,622,625,629,637,645,647,648,655,658,673,674,675 +0425_00284 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00285 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10,11,12,15,16,17,19,20,21,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,309,333,334,336,339,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,381,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,441,442,443,444,448,450,451,452,453,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,580,581,586,594,597,602,603,612,613,614,615,616,618,622,625,629,637,638,640,644,648,655,658,663,664,674,675,709 +0425_00287 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10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,341,345,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,392,393,394,397,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,524,525,528,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,648,655,658,661,666,669,672,674,675,679,680,684,685,689,693,709,710,711 +0425_00289 10,11,12,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,341,345,346,352,353,356,357,358,359,366,375,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,431,432,438,440,442,443,444,450,451,452,454,465,473,483,485,488,489,491,494,496,505,507,520,524,525,528,529,531,536,539,540,541,546,550,554,556,557,561,571,573,580,581,583,586,593,594,596,597,601,602,609,614,622,624,625,629,634,635,637,641,644,648,655,658,661,666,669,672,674,675,679,680,684,685,689,693,709,710,711 +0425_00290 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00291 10,11,12,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00292 10,11,12,15,16,19,34,179,181,182,256,257,284,285,286,287,294,300,301,333,334,335,341,345,352,353,356,358,359,369,375,376,377,380,382,388,390,391,393,394,397,400,401,404,413,417,419,421,423,432,438,440,442,443,444,450,451,452,454,468,473,474,476,478,479,483,485,486,487,488,489,490,491,495,496,500,505,507,516,518,520,524,528,536,537,539,546,548,557,561,570,571,573,580,586,593,597,612,614,617,636,645,648,655,658,666,675,709,712 +0425_00293 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,339,341,345,346,352,366,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,529,541,561,573,597,637,644,648,655 +0425_00294 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,334,337,341,345,352,375,376,380,390,391,393,394,397,400,401,404,419,421,451,452,454,485,488,489,505,520,561,573,597,637,644,648,655 +0425_00295 10,11,12,13,15,19,20,179,180,186,187,193,194,256,258,260,284,285,286,287,309,333,334,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,407,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,567,568,571,574,575,579,583,585,590,591,595,596,600,604,605,607,609,615,616,618,619,620,621,627,631,632,633,635,638,641,642,652,656,660,661,663,664,665,667,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,715,736,762,778,799,825 +0425_00296 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,574,580,583,600,618,620,638,641,661,668,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,841,861,862 +0425_00297 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,574,580,583,600,618,620,638,641,661,668,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +0425_00298 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,342,345,353,356,357,371,372,375,382,383,385,407,417,421,431,433,435,442,444,447,471,491,499,517,521,525,536,542,543,545,549,553,557,565,568,571,574,575,579,580,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,715,736,756,757,762,777,778,798,799,819,820,825,861 +0425_00299 10,11,12,13,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,335,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711,712 +0425_00300 10,11,12,13,19,20,21,22,144,145,179,180,182,186,187,193,194,200,284,285,287,309,333,334,335,336,340,342,345,347,348,353,367,368,375,381,406,407,421,433,441,444,453,463,536,538,564,568,572,580,582,583,606,611,615,618,638,640,643,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,712,713,777,778,798,799,819,861 +0425_00301 10,11,12,13,14,15,19,20,21,22,179,182,186,189,284,285,286,287,300,309,333,334,336,338,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,433,441,444,453,529,536,541,564,567,568,572,580,582,583,593,611,614,615,618,638,639,640,643,644,660,662,663,664,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711 +0425_00302 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0425_00303 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,572,583,618,638,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,840,841,861,862 diff --git a/processed_data/0425/0425_gradient.tsv b/processed_data/0425/0425_gradient.tsv new file mode 100644 index 000000000..f88359049 --- /dev/null +++ b/processed_data/0425/0425_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0.1 0.2 99 1 +3 0.2 61 39 +14 0.4 0.1 99.9 +16 0.48 0.1 99.9 diff --git a/processed_data/0425/0425_info.tsv b/processed_data/0425/0425_info.tsv new file mode 100644 index 000000000..44a1b61d6 --- /dev/null +++ b/processed_data/0425/0425_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0425 10.1016/j.jhazmat.2019.121713 Submitted by Fangyuan Sun Mengling Tang, Yanhui Ao, Peifang Wang, Chao Wang ROASMI_70 general flowrate, can be obtained from gradient data diff --git a/processed_data/0425/0425_metadata.tsv b/processed_data/0425/0425_metadata.tsv new file mode 100644 index 000000000..7984a7d3e --- /dev/null +++ b/processed_data/0425/0425_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit column.t0 +0425 Thermo Scientific Acclaim RSLC 120 C18 L1 100.0 2.1 2.2 30.0 90 10 0 0 0 0 0 0 0 0.0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.0 1.0 0 0 0.1 99.9 0 0 % % % % diff --git a/processed_data/0425/0425_report_canonical.pdf b/processed_data/0425/0425_report_canonical.pdf new file mode 100644 index 000000000..6cec17cfb Binary files /dev/null and b/processed_data/0425/0425_report_canonical.pdf differ diff --git a/processed_data/0425/0425_report_isomeric.pdf b/processed_data/0425/0425_report_isomeric.pdf new file mode 100644 index 000000000..e9a8336c2 Binary files /dev/null and b/processed_data/0425/0425_report_isomeric.pdf differ diff --git a/processed_data/0425/0425_rtdata_canonical_success.tsv b/processed_data/0425/0425_rtdata_canonical_success.tsv new file mode 100644 index 000000000..ee6167567 --- /dev/null +++ b/processed_data/0425/0425_rtdata_canonical_success.tsv @@ -0,0 +1,304 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0425_00001 C7H6O2 2.88 C1=CC=C(C=C1)C(=O)O InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0425_00002 C7H6O3 3.58 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0425_00003 C6H4N2O5 4.5 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00004 C2H4N4 1.67 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0425_00005 C15H24O 12.92 CCCCCCCCCC1=CC=C(C=C1)O InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3 IGFHQQFPSIBGKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00006 C15H12N2O2 8.26 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0425_00007 C4H10NO3PS 3.09 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0425_00008 C4H6N4O3S2 3.24 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0425_00009 C13H21NO3 4.06 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0425_00010 C17H27N3O4S 5.08 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0425_00011 C11H18N2O3 7.9 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) VIROVYVQCGLCII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0425_00012 C17H19N5 6.38 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00013 C14H18N2O5 4.98 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0425_00014 C8H12N2O3 4.8 CCC1(C(=O)NC(=O)NC1=O)CC InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) FTOAOBMCPZCFFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00015 C10H12N2O3S 4.49 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0425_00016 C12H17NO3 9.24 CCCCOC1=CC=C(C=C1)CC(=O)NO InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14) MXJWRABVEGLYDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0425_00017 C17H20N2O5S 6.73 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00018 C18H28N2O 10.66 CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21) LEBVLXFERQHONN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00019 C10H16N2O3 6.83 CCC(C)C1(C(=O)NC(=O)NC1=O)CC InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) ZRIHAIZYIMGOAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00020 C24H20N6O3 5.86 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00021 C15H12N2O2 8.47 C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18) ZRWWEEVEIOGMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0425_00022 C20H33N3O4 6.76 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00023 C20H29N3O2 11.57 CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) PUFQVTATUTYEAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) NA (NA) NA (NA) +0425_00024 C5H12NO3PS2 5.25 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0425_00025 C13H17N3O4S 4.89 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20) LVWZTYCIRDMTEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0425_00026 C8H16O2 7.04 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0425_00027 C10H16N2O4S3 4.63 CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16) IAVUPMFITXYVAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) 2,3,5-trisubstituted thiophenes (CHEMONTID:0003482) NA (NA) NA (NA) +0425_00028 C8H10O5 1.32 C1CC2C(C(C1O2)C(=O)O)C(=O)O InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12) GXEKYRXVRROBEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0425_00029 C17H21NO3 10.47 CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) NNYBQONXHNTVIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0425_00030 C16H14O3 6.79 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19) ZPAKPRAICRBAOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00031 C15H14O3 6.79 CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) RDJGLLICXDHJDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00032 C17H21NO4 4.33 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0425_00033 C19H24N2O4 5.91 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) BPZSYCZIITTYBL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0425_00034 C9H17NO2 4.08 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00035 C15H22O3 10.86 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00036 C13H18O2 9.72 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0425_00037 C17H15NO3 6.23 CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) RJMIEHBSYVWVIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0425_00038 C25H28N6O 10.12 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00039 C16H14O3 6.77 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0425_00040 C15H15NO2 9.29 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0425_00041 C15H22N2O 7.49 CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18) INWLQCZOYSRPNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxamides (CHEMONTID:0002312) NA (NA) +0425_00042 C7H7NO3 2.04 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0425_00043 C15H16O2 8.54 CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3 BLXXJMDCKKHMKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00044 C13H12N2O5S 8.24 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00045 C8H11NO2 1.96 C1=CC(=CC=C1C(CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 QHGUCRYDKWKLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00046 C19H20N2O3 7.73 CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3 HFHZKZSRXITVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00047 C11H18N2O3 7.92 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) WEXRUCMBJFQVBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0425_00048 C12H12N2O3 6.1 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) DDBREPKUVSBGFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00049 C19H20N2O2 7.46 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00050 C5H12NO4P 1.29 CP(=O)(CCC(C(=O)O)N)O InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) IAJOBQBIJHVGMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00051 C19H20N2O3S 10.64 CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) HYAFETHFCAUJAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00052 C17H18N2O5S 6.04 C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3 InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) UJEWTUDSLQGTOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00053 C13H20N2O 7.49 CCCNC(C)C(=O)NC1=CC=CC=C1C InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16) MVFGUOIZUNYYSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00054 C13H19NO4S 6.46 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00055 C28H27NO4S 8.86 C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 GZUITABIAKMVPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00056 C14H12O3 6.82 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0425_00057 C12H21N 3.19 CC(C12CC3CC(C1)CC(C3)C2)N InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3 UBCHPRBFMUDMNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0425_00058 C7H5NO3S 3.09 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00059 C7H7NO2 4.83 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0425_00060 C25H37NO4 1.11 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0425_00061 C12H18N2O3 8.39 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) KQPKPCNLIDLUMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00062 C12H20N2O3S 3.91 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00063 C15H23N3O4S 4.42 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00064 C14H12O3S 8.96 CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) MDKGKXOCJGEUJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00065 C9H16N4OS 7.21 CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) HBPDKDSFLXWOAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Aminothiadiazoles (CHEMONTID:0002562) 2-amino-1,3,4-thiadiazoles (CHEMONTID:0004001) +0425_00066 C12H19NO3 3.48 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0425_00067 C10H7N3S 6.52 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00068 C7H6O2S 5.44 C1=CC=C(C(=C1)C(=O)O)S InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9) NBOMNTLFRHMDEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Sulfanylbenzoic acids and derivatives (CHEMONTID:0002086) O-sulfanylbenzoic acids and derivatives (CHEMONTID:0003105) +0425_00069 C7H17N 4.41 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0425_00070 C8H8N2O3S 5.17 C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) UBQNRHZMVUUOMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzisoxazoles (CHEMONTID:0002332) NA (NA) NA (NA) NA (NA) +0425_00071 C21H30O4 9.91 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3 OMFXVFTZEKFJBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00072 C21H28O5 8.92 CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3 OIGNJSKKLXVSLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00073 C18H24O3 7.82 CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3 PROQIPRRNZUXQM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00074 C18H24O2 10.79 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3 VOXZDWNPVJITMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00075 C20H30O2 13.96 CCC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)O InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3 ZDHCJEIGTNNEMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0425_00076 C21H26O5 8.31 CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00077 C18H22O2 10.84 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 DNXHEGUUPJUMQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00078 C2H6O4S 1.52 CCOS(=O)(=O)O InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5) KIWBPDUYBMNFTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0425_00079 C20H32O2 14.41 CC1CC2(C(CCC3C2CCC4(C3CCC4O)C)CC1=O)C InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3 IKXILDNPCZPPRV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00080 C9H13NO2 3.24 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0425_00081 C12H11NO2 7.42 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00082 C15H23NO4 6.32 CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19) YPHMISFOHDHNIV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) Piperidinediones (CHEMONTID:0001582) NA (NA) +0425_00083 C16H19N3O4S 4.46 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23) AVKUERGKIZMTKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00084 C7H9NO2S 4.79 CC1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) LMYRWZFENFIFIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Tosyl compounds (CHEMONTID:0003276) P-toluenesulfonamides (CHEMONTID:0004517) +0425_00085 C19H22O6 4.42 CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22) IXORZMNAPKEEDV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Gibberellins (CHEMONTID:0001767) C19-gibberellins (CHEMONTID:0002998) +0425_00086 C15H16O2 8.49 CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0425_00087 C23H22O6 10.44 CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3 JUVIOZPCNVVQFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0425_00088 C12H10O2 5.7 C1=CC=C2C(=C1)C=CC=C2CC(=O)O InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) PRPINYUDVPFIRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00089 C10H12N2O5 7.92 CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3 OWZPCEFYPSAJFR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00090 C12H10O 9.09 C1=CC=C(C=C1)C2=CC=CC=C2O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00091 C9H13NO2 2.26 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00092 C6H7NO2S 3.92 C1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) KHBQMWCZKVMBLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00093 C6H13NO3S 4.12 C1CCC(CC1)NS(=O)(=O)O InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) HCAJEUSONLESMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfamic acid derivatives (CHEMONTID:0000039) Cyclamates (CHEMONTID:0000365) NA (NA) NA (NA) +0425_00094 C9H12N2O 5.11 CN(C)C(=O)NC1=CC=CC=C1 InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12) XXOYNJXVWVNOOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00095 C3H3N3O3 1.34 C1(=O)NC(=O)NC(=O)N1 InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) ZFSLODLOARCGLH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00096 C8H12NO5PS2 6.16 COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11) BSBSDQUZDZXGFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0425_00097 C10H8O3S 5.42 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) KVBGVZZKJNLNJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00098 C12H14N2O5 9.19 C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2 QJYHUJAGJUHXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0425_00099 C16H11NO2 5.89 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19) YTRMTPPVNRALON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Phenylquinolines (CHEMONTID:0002348) NA (NA) NA (NA) +0425_00100 C7H7N3 6.56 CC1=CC2=NNN=C2C=C1 InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) LRUDIIUSNGCQKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0425_00101 C14H22O 12.3 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 ISAVYTVYFVQUDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00102 C2H6N4O 1.73 C(=NC(=O)N)(N)N InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7) SQSPRWMERUQXNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0425_00103 C14H18N2O3 9.02 CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19) NZXKDOXHBHYTKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00104 C8H13N2O3PS 8.03 CCOP(=S)(OCC)OC1=NC=CN=C1 InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3 IRVDMKJLOCGUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0425_00105 C4H8O3 1.26 C(CC(=O)O)CO InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) SJZRECIVHVDYJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0425_00106 C19H26O3 6.61 CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)O InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3 OSVMTWJCGUFAOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00107 C18H30O 14.6 CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 PFEFOYRSMXVNEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00108 C14H24NO4PS3 10.48 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 RRNIZKPFKNDSRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00109 C18H24N2 11.78 CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3 ZZMVLMVFYMGSMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) Phenylalkylamines (CHEMONTID:0003924) +0425_00110 C7H7N3 5.11 C1=CC=C2C(=C1)NC(=N2)N InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00111 C10H12N2O5 8.13 CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3 IIPZYDQGBIWLBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00112 C20H32O2 14.41 CC1CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3 UXYRZJKIQKRJCF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00113 C18H30O3S 14.15 CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1 InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3 YRIUSKIDOIARQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Benzenesulfonate esters (CHEMONTID:0004309) NA (NA) +0425_00114 C9H9N3OS 7.1 CNC(=O)NC1=NC2=CC=CC=C2S1 InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13) DTCJYIIKPVRVDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00115 C14H20N2O 9.15 CC1CCCCC1NC(=O)NC2=CC=CC=C2 InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17) JXVIIQLNUPXOII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00116 C13H18N2O2 8.23 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00117 C8H10N2O4S 1.46 COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) VGPYEHKOIGNJKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0425_00118 C18H15N3O8S2 4.56 CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)O InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29) RSNSKUBBVCGSND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00119 C13H10O3 7.77 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15) NXTDJHZGHOFSQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00120 C11H8N2O 6.8 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) UYJUZNLFJAWNEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00121 C12H13NO2S 7.42 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00122 C12H13NO4S 5.57 CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) AMEKQAFGQBKLKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00123 C12H18N2O 5.99 CCNCC(=O)NC1=C(C=CC=C1C)C InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15) WRMRXPASUROZGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00124 C16H16N2O4 8.53 CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2 InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) WZJZMXBKUWKXTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00125 C16H16N2O4 8.72 CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) IDOWTHOLJBTAFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00126 C18H22O2 9.17 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3 MEHHPFQKXOUFFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00127 C9H9N3O2 5.8 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0425_00128 C15H16N2O2 7.12 COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3 HUTDUHSNJYTCAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0425_00129 C14H20N3O5PS 11.36 CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3 JOOMJVFZQRQWKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0425_00130 C16H18N2O3 8.39 CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19) AMVYOVYGIJXTQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00131 C21H24O2 9.64 CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3 BJJXHLWLUDYTGC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00132 C12H15NO4 5.09 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0425_00133 C10H11N3OS 8.23 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00134 C12H18N4O6S 10.22 CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) UNAHYJYOSSSJHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0425_00135 C8H14N4OS 7.04 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00136 C13H22NO3PS 10.41 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0425_00137 C24H40O4 11.12 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) RUDATBOHQWOJDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0425_00138 C15H24NO4PS 11.2 CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) HOQADATXFBOEGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00139 C18H16N2O8S2 2.88 CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27) UQWIHFJXDRNUDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00140 C16H19N3O5S 3.68 CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24) LSQZJLSUYDQPKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0425_00141 C10H13N5O4 5.06 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18) HBOMLICNUCNMMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2',3'-dideoxyribonucleosides (CHEMONTID:0002182) NA (NA) NA (NA) +0425_00142 C13H22NO5PS 7.17 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15) LVNYJXIBJFXIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0425_00143 C4H5NO4S 2.34 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0425_00144 C12H18N2O 8.29 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00145 C13H21N2O4PS 11.18 CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-] InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21) OEYOMNZEMCPTKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0425_00146 C8H12N4O5 1.46 C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16) IWUCXVSUMQZMFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Triazole ribonucleosides and ribonucleotides (CHEMONTID:0002342) NA (NA) NA (NA) NA (NA) +0425_00147 C12H12N4 8.22 CC1=CC(=NN1C2=NC3=CC=CC=C3N2)C InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14) RUGYNGIMTAFTLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00148 C10H10N4O 5.22 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00149 C13H24N4O3S 10.5 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0425_00150 C17H27NO4 5.12 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3 VWPOSFSPZNDTMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0425_00151 C17H20N2O 9.64 CC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2 InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20) NNYRZQHKCHEXSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00152 C9H8N4OS 7.12 C1=CC=C(C=C1)NC(=O)NC2=CN=NS2 InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14) HFCYZXMHUIHAQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00153 C15H23NO 6.47 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3 JLICHNCFTLFZJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0425_00154 C17H19NO2 9.58 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19) BCTQJXQXJVLSIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Benzanilides (CHEMONTID:0004713) +0425_00155 C9H21O4PS3 8.98 CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3 DWZSTEUTHNUVQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0425_00156 C16H20N4O3S 8.29 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0425_00157 C7H12N4O2 6.67 CC(C)(C)C1=NNC(=O)N(C1=O)N InChI=1S/C7H12N4O2/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13) AHBXXEZLRFCZSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00158 C17H19NO4 10.55 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00159 C15H16N4O5S 5.03 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) ZDXMLEQEMNLCQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00160 C14H15N5O6S 4.51 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) RSMUVYRMZCOLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00161 C23H36O7 8.27 CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28) TUZYXOIXSAXUGO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0425_00162 C13H15N3O3 3.1 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00163 C17H17N3O3 4.85 CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) CABMTIJINOIHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0425_00164 C15H19N3O3 4.32 CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21) XVOKUMIPKHGGTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00165 C16H20N2O3 7.15 CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20) FFCCBBNQPIMUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00166 C16H18N4O7S 7.66 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00167 C30H46NO7P 13.26 CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3 InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35) BIDNLKIUORFRQP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00168 C23H23N3O5 5.61 CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3 UCFGDBYHRUNTLO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Camptothecins (CHEMONTID:0000240) NA (NA) NA (NA) NA (NA) +0425_00169 C24H29N5O3 8.17 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) ACWBQPMHZXGDFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00170 C10H13N5O4 3.84 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0425_00171 C14H21NO4 3.58 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00172 C13H22N4O4S 3.98 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-] InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3 DFJVUWAHTQPQCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0425_00173 C14H25N3O4S 6.06 CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19) IVBOUFAWPCPFTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0425_00174 C12H12N4O3S 3.76 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16) NJIZUWGMNCUKGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00175 C9H14N5O4P 3.18 CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17) SGOIRFVFHAKUTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0425_00176 C16H28N2O4 8.79 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19) VSZGPKBBMSAYNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00177 C12H13N3O4S 4.33 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15) GXPIUNZCALHVBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00178 C7H13NO4S 2.5 CC(C)(CS(=O)(=O)O)NC(=O)C=C InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12) XHZPRMZZQOIPDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0425_00179 C12H18O7 4.3 CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14) FWCBATIDXGJRMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0425_00180 C27H36N2O4 12.81 CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32) FAEKWTJYAYMJKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0425_00181 C33H30N4O2 11.24 CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) RMMXLENWKUUMAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00182 C14H16N4O3S 5.06 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18) LJKAKWDUZRJNPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00183 C11H11N3O3S2 4.61 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 InChI=1S/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15) KXNXWINFSDKMHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00184 C4H4N2O 5.01 C1=CNC(=O)N=C1 InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7) VTGOHKSTWXHQJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00185 C12H21N3O5S3 5.74 CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17) HCRKCZRJWPKOAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thienothiazines (CHEMONTID:0001928) NA (NA) NA (NA) NA (NA) +0425_00186 C5H11NO4S 1.46 CC(=O)NCCCS(=O)(=O)O InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10) AFCGFAGUEYAMAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0425_00187 C45H76O16 13.67 CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)O)OC)C)O)C)C)OC7CCC(C(O7)C)OC)(C)O)C InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48) WINSLRIENGBHSH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) C-glycosyl compounds (CHEMONTID:0002204) +0425_00188 C19H22O2 11.24 CC(C1=CC=C(C2=CC=CC=C21)C3CCCCC3)C(=O)O InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21) VZUGVMQFWFVFBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00189 C12H13N3O2 4.51 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0425_00190 C15H18N6O6S 4.32 CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) RTCOGUMHFFWOJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0425_00191 C18H24N2O4 9.39 CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) PMHURSZHKKJGBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0425_00192 C12H13N5O6S2 4.52 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) AHTPATJNIAFOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) Thiophene carboxylic acids and derivatives (CHEMONTID:0002017) NA (NA) NA (NA) +0425_00193 C6H5N3O 3.69 C1=CC=C2C(=C1)N=NN2O InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H ASOKPJOREAFHNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0425_00194 C12H16O3 10.62 CCCCCC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C12H16O3/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15/h6-8,13,15H,2-5H2,1H3 SKUFHZAEFGZSQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00195 C8H12N2O2S 7.14 CN(C)S(=O)(=O)NC1=CC=CC=C1 InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3 QCDQDISRALTLNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00196 C24H28O2 14.08 CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) NAVMQTYZDKMPEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0425_00197 C15H14N2O3 6.64 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20) PRGQOPPDPVELEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0425_00198 C15H19N3O4 3.74 CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) NUPJIGQFXCQJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00199 C13H22N4O3S 6.37 CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3 NKNFWVNSBIXGLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00200 C13H17NO2 5.27 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00201 C14H12O3 12.15 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2O InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3 MPOIUZCYWIPYNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0425_00202 C12H11NO2 7.54 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14) JFSPBVWPKOEZCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00203 C14H21NO4 9.01 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00204 C22H28N2O2 10.42 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25) QYPNKSZPJQQLRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0425_00205 C8H9NO2 4.36 C1C=CCC2C1C(=O)NC2=O InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11) CIFFBTOJCKSRJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0425_00206 C22H28N2O3 9.55 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) QCAWEPFNJXQPAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0425_00207 C21H28O4 12.02 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24) YOVRGSHRZRJTLZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0425_00208 C18H22O3 8.42 CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3 WPOCIZJTELRQMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00209 C14H21NO5S 8.02 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19) UTCJUUGCHWHUNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00210 C7H14N2O3S 3.36 CC(C(=NOC(=O)NC)C)S(=O)C InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10) RCTCYOQIGNPQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0425_00211 C16H14N2O3S 7.46 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00212 C21H34O2 13.24 CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3 ZWWRREXSUJTKNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0425_00213 C38H52N6O7 12.36 CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47) AXRYRYVKAWYZBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00214 C12H16N2O3 6.54 CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1 InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16) AMRQXHFXNZFDCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00215 C11H13NO3 5.57 CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15) HYHJOUPYTUBFIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00216 C14H14O3 6.74 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00217 C14H13NO7S 2.13 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-] InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 KPUREKXXPHOJQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00218 C17H20N2O3 9.82 CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20) VHLKTXFWDRXILV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00219 C10H14N2O 8.81 CC(C)C1=CC=C(C=C1)NC(=O)N InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13) ABBKOIZWGCVCKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00220 C31H44N2O5S 13.34 CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3 ZQTNQVWKHCQYLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00221 C22H18N2O4 10.99 CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4 InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 PCCSBWNGDMYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00222 C27H37N3O7S 9.37 CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32) CJBJHOAVZSMMDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0425_00223 C37H48N6O5S2 12.52 CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46) NCDNCNXCDXHOMX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00224 C18H22O3 9.74 CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3 SWINWPBPEKHUOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00225 C24H30O6 6.74 CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3 JUKPWJGBANNWMW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0425_00226 C14H24N2O4 4.92 CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19) NENPYTRHICXVCS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00227 C30H49N9O9 3.16 CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35) PSWFFKRAVBDQEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0425_00228 C14H16N4O5S 5.09 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18) WIYOSEJTAADVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00229 C21H30O2 13.69 CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3 QHMBSVQNZZTUGM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0425_00230 C21H30O3 12.3 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)CO)O InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3 YCBKSSAWEUDACY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0425_00231 C5H4N4S 2.62 C1=NC2=C(N1)C(=S)N=CN2 InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) GLVAUDGFNGKCSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinethiones (CHEMONTID:0001998) NA (NA) +0425_00232 C7H5NS2 6.58 C1=CC=C2C(=C1)NC(=S)S2 InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YXIWHUQXZSMYRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00233 C9H14N2O2S 7.23 CC1=CC=C(C=C1)NS(=O)(=O)N(C)C InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3 UDCDOJQOXWCCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00234 C21H20O6 10 COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3 VFLDPWHFBUODDF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Diarylheptanoids (CHEMONTID:0002650) Linear diarylheptanoids (CHEMONTID:0002651) Curcuminoids (CHEMONTID:0000356) NA (NA) +0425_00235 C11H18N2O2S 8.63 CCCC(C)C1(C(=O)NC(=S)NC1=O)CC InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) IUJDSEJGGMCXSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Thiobarbituric acid derivatives (CHEMONTID:0001122) +0425_00236 C13H22N4O3S 4.67 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00237 C7H11N7S 9.67 CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-] InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12) AFIIBUOYKYSPKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0425_00238 C12H14N4O4S2 6.88 COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) QGHREAKMXXNCOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00239 C13H22N4O4S 3.93 CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 SKHXRNHSZTXSLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00240 C7H13O5PS 5.12 CC(=COP(=S)(OC)OC)C(=O)OC InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3 NTAHCMPOMKHKEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Thiophosphate triesters (CHEMONTID:0003384) NA (NA) +0425_00241 C14H22N2O2 6.56 CC[N+](CC)(CC(=O)NC1=C(C=CC=C1C)C)[O-] InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) YDVXPJXUHRROBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00242 C20H30O2 13.82 CC1=CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3 ANJQEDFWRSLVBR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00243 C42H70O11 14.67 CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47) KQXDHUJYNAXLNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0425_00244 C16H25NO2 6.12 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0425_00245 C23H24N2O4S 6.51 CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29) OROAFUQRIXKEMV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0425_00246 C21H23NO3 7.69 CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24) JBIMVDZLSHOPLA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0425_00247 C19H27NO3 11.37 CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23) OELFLUMRDSZNSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00248 C7H10N4O3 5.58 CCNC(=O)NC(=O)C(=NOC)C#N InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13) XERJKGMBORTKEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oximes (CHEMONTID:0000411) Oxime ethers (CHEMONTID:0001010) NA (NA) +0425_00249 C10H20NO4PS 9.75 CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17) BZNDWPRGXNILMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0425_00250 C8H17NO2 4.04 CC(C)CC(CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11) AYXYPKUFHZROOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00251 C30H53N3O6 10.89 CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35) UXOWGYHJODZGMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0425_00252 C15H23NO5S 8.19 CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) CIGKZVUEZXGYSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00253 C12H19NO5S2 6.97 CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17) YMYKMSAZEZQEER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0425_00254 C47H75NO17 11.77 CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60) VQOXZBDYSJBXMA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00255 C16H26N2O5S 4.91 CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23) DHSUYTOATWAVLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00256 C47H70O14 13.36 CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3 ZFUKERYTFURFGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0425_00257 C41H76N2O15 11.54 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3 RXZBMPWDPOLZGW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00258 C7H14N2O4S 3.67 CC(C(=NOC(=O)NC)C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10) CTJBHIROCMPUKL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Sulfonyls (CHEMONTID:0001157) Sulfones (CHEMONTID:0000505) NA (NA) NA (NA) +0425_00259 C10H11N5O 4.13 CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16) QHMTXANCGGJZRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00260 C24H30N2O3 9.91 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27) HPNSNYBUADCFDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) NA (NA) NA (NA) +0425_00261 C17H17N3OS 9.18 CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3 LMVPQMGRYSRMIW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00262 C19H22N2O3 10.63 CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22) WXUZAHCNPWONDH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0425_00263 C18H28N2O3 9.8 CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22) NWUWYYSKZYIQAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00264 C17H20N6O7S 5.62 CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26) PXDNXJSDGQBLKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Sulfonylureas (CHEMONTID:0000490) Pyrimidinyl-2-sulfonylureas (CHEMONTID:0004705) NA (NA) +0425_00265 C11H12O5 1.49 C1CC1C(=C2C(=O)CC(CC2=O)C(=O)O)O InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16) DFFWZNDCNBOKDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Vinylogous acids (CHEMONTID:0003889) NA (NA) NA (NA) NA (NA) +0425_00266 C14H19NO4 7.69 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C(=O)O InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18) MHCYOELBTPOBIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00267 C15H21NO4 8.29 CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19) LNOOSYCKMKZOJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00268 C11H15NO4S 6.01 CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16) BFSZJLBDHMMCAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00269 C8H14O7 1.35 CCOC1C(C(C(C(O1)C(=O)O)O)O)O InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13) IWJBVMJWSPZNJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0425_00270 C17H26O3 11.44 CCCCCCCCCC(C(=O)O)OC1=CC=CC=C1 InChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19) PIWQVBDRRFMUIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0425_00271 C14H13N3O4S2 6.41 CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) ZRVUJXDFFKFLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0425_00272 C19H16O4 6.56 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0425_00273 C21H15N3O5 7.94 COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)O InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26) IKCXDZCEWZARFL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0425_00274 C17H27N3O5S 4.81 CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-] InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) LLIKIPAUZJTRGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0425_00275 C7H14N4O3 3.59 CNC(=N[N+](=O)[O-])NCC1CCOC1 InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10) YKBZOVFACRVRJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Nitroguanidines (CHEMONTID:0004667) NA (NA) +0425_00276 C12H17NO4S 6.97 CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16) HOYCASTVMCEOTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00277 C14H17N3O4S 6.02 CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)(=O)O InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21) IPVCSECPEVHQOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00278 C13H19NO5S 6.16 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18) RVSCDWJKJDBFRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00279 C13H17NO4 6.07 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)C(=O)O InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17) MHGMSAFPNAKIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00280 C8H15N5O 6 CCNC1=NC(=O)NC(=N1)NC(C)C InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) NFMIMWNQWAWNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00281 C22H30N6O4S 9.5 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00282 C10H15N5O3 3.34 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0425_00283 C5H4N4O 3.04 C1=NNC2=C1C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrazolopyrimidines (CHEMONTID:0000305) Pyrazolo[3,4-d]pyrimidines (CHEMONTID:0004387) NA (NA) NA (NA) +0425_00284 C7H13N5O 5.56 CCNC1=NC(=NC(=O)N1)NCC InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13) YQIXRXMOJFQVBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00285 C17H16N2OS 9.91 C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4 InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20) AIZFEOPQVZBNGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thienodiazepines (CHEMONTID:0002313) NA (NA) NA (NA) NA (NA) +0425_00286 C14H22N6O5 4.08 CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22) WPVFJKSGQUFQAP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00287 C10H9N3O 5.72 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14) OUSYWCQYMPDAEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00288 C11H19N3O 7.97 CCCCC1=C(N=C(NC1=O)N(C)C)C InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15) CJHXCRMKMMBYJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0425_00289 C11H19N3O 8.39 CCCCC1=C(N=C(NC1=O)NCC)C InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15) BBXXLROWFHWFQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00290 C9H17N5O 8.19 CC(C)NC1=NC(=NC(=O)N1)NC(C)C InChI=1S/C9H17N5O/c1-5(2)10-7-12-8(11-6(3)4)14-9(15)13-7/h5-6H,1-4H3,(H3,10,11,12,13,14,15) RUOTUMSRCIMLJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00291 C9H17N5O 8.46 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00292 C8H13N3OS 8.04 CC(C)(C)C1=NN=C(NC1=O)SC InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12) MIWRSUQXSCLDNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00293 C6H11N5O 4.08 CC(C)NC1=NC(=O)NC(=N1)N InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12) GCKLGRUZDXSATG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00294 C7H13N5O 5.42 CC(C)(C)NC1=NC(=O)NC(=N1)N InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13) NUISVCFZNCYUIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Triazinones (CHEMONTID:0001920) NA (NA) NA (NA) +0425_00295 C27H31NO3 11.51 CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC(=C(C=C3)OC)O InChI=1S/C27H31NO3/c1-5-24(22-13-16-26(30-4)25(29)19-22)27(20-9-7-6-8-10-20)21-11-14-23(15-12-21)31-18-17-28(2)3/h6-16,19,29H,5,17-18H2,1-4H3 JUOIQAFNMJEPBM-UHFFFAOYSA-N +0425_00296 C19H28O3 6.61 CC12CCC3C(C1CCC2O)CC(C4=CC(=O)CCC34C)O InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3 XSEGWEUVSZRCBC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00297 C19H26O3 6.99 CC12CCC3C(C1CCC2=O)CC(C4=CC(=O)CCC34C)O InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3 WVAMBAWFDOYFOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00298 C18H22O3 9.89 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3 XQZVQQZZOVBNLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00299 C20H30N2O5 10.16 CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24) HLIAVLHNDJUHFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0425_00300 C25H38O8 10.16 CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31) VFUIRAVTUVCQTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroid glucuronide conjugates (CHEMONTID:0001447) NA (NA) +0425_00301 C37H67NO13 11.26 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3 CIJTVUQEURKBDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00302 C19H26O2 13.1 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 AEMFNILZOJDQLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00303 C20H34O2 13.96 CC12CCC(CC1CCC3C2CCC4(C3CCC4(C)O)C)O InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3 QGKQXZFZOIQFBI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) diff --git a/processed_data/0425/0425_rtdata_isomeric_success.tsv b/processed_data/0425/0425_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..688f4e8c0 --- /dev/null +++ b/processed_data/0425/0425_rtdata_isomeric_success.tsv @@ -0,0 +1,304 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0425_00001 C7H6O2 2.88 C1=CC=C(C=C1)C(=O)O InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) WPYMKLBDIGXBTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0425_00002 C7H6O3 3.58 C1=CC=C(C(=C1)C(=O)O)O InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Hydroxybenzoic acid derivatives (CHEMONTID:0001248) Salicylic acid and derivatives (CHEMONTID:0000487) +0425_00003 C6H4N2O5 4.5 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H UFBJCMHMOXMLKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00004 C2H4N4 1.67 C1=NNC(=N1)N InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) KLSJWNVTNUYHDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Triazoles (CHEMONTID:0000099) NA (NA) NA (NA) +0425_00005 C15H24O 12.92 CCCCCCCCCC1=CC=C(C=C1)O InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3 IGFHQQFPSIBGKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00006 C15H12N2O2 8.26 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19) CXOFVDLJLONNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azolidines (CHEMONTID:0002491) Imidazolidines (CHEMONTID:0000250) Imidazolidinones (CHEMONTID:0001149) Imidazolidinediones (CHEMONTID:0001150) +0425_00007 C4H10NO3PS 3.09 CC(=O)NP(=O)(OC)SC InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) YASYVMFAVPKPKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organophosphorus compounds (CHEMONTID:0000400) Organothiophosphorus compounds (CHEMONTID:0001438) NA (NA) NA (NA) NA (NA) +0425_00008 C4H6N4O3S2 3.24 CC(=O)NC1=NN=C(S1)S(=O)(=O)N InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) BZKPWHYZMXOIDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Thiadiazole sulfonamides (CHEMONTID:0002326) NA (NA) +0425_00009 C13H21NO3 4.06 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 NDAUXUAQIAJITI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0425_00010 C17H27N3O4S 5.08 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) NTJOBXMMWNYJFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0425_00011 C11H18N2O3 7.9 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) VIROVYVQCGLCII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0425_00012 C17H19N5 6.38 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 YBBLVLTVTVSKRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00013 C14H18N2O5 4.98 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0425_00014 C8H12N2O3 4.8 CCC1(C(=O)NC(=O)NC1=O)CC InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) FTOAOBMCPZCFFF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00015 C10H12N2O3S 4.49 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 ZOMSMJKLGFBRBS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) NA (NA) NA (NA) NA (NA) NA (NA) +0425_00016 C12H17NO3 9.24 CCCCOC1=CC=C(C=C1)CC(=O)NO InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14) MXJWRABVEGLYDG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0425_00017 C17H20N2O5S 6.73 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) MAEIEVLCKWDQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00018 C18H28N2O 10.66 CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21) LEBVLXFERQHONN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00019 C10H16N2O3 6.83 CCC(C)C1(C(=O)NC(=O)NC1=O)CC InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) ZRIHAIZYIMGOAB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00020 C24H20N6O3 5.86 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) HTQMVQVXFRQIKW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00021 C15H12N2O2 8.47 C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18) ZRWWEEVEIOGMMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0425_00022 C20H33N3O4 6.76 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) JOATXPAWOHTVSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00023 C20H29N3O2 11.57 CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) PUFQVTATUTYEAL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinolones and derivatives (CHEMONTID:0000056) NA (NA) NA (NA) +0425_00024 C5H12NO3PS2 5.25 CNC(=O)CSP(=S)(OC)OC InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) MCWXGJITAZMZEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0425_00025 C13H17N3O4S 4.89 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)O InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20) LVWZTYCIRDMTEY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0425_00026 C8H16O2 7.04 CCCC(CCC)C(=O)O InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) NIJJYAXOARWZEE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Branched fatty acids (CHEMONTID:0000338) Methyl-branched fatty acids (CHEMONTID:0003544) +0425_00027 C10H16N2O4S3 4.63 CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16) IAVUPMFITXYVAF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) 2,3,5-trisubstituted thiophenes (CHEMONTID:0003482) NA (NA) NA (NA) +0425_00028 C8H10O5 1.32 C1CC2C(C(C1O2)C(=O)O)C(=O)O InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12) GXEKYRXVRROBEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0425_00029 C17H21NO3 10.47 CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) NNYBQONXHNTVIJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0425_00030 C16H14O3 6.79 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19) ZPAKPRAICRBAOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00031 C15H14O3 6.79 CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) RDJGLLICXDHJDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00032 C17H21NO4 4.33 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 LSLYOANBFKQKPT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0425_00033 C19H24N2O4 5.91 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) BPZSYCZIITTYBL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) Amphetamines and derivatives (CHEMONTID:0000188) NA (NA) +0425_00034 C9H17NO2 4.08 C1CCC(CC1)(CC(=O)O)CN InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) UGJMXCAKCUNAIE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00035 C15H22O3 10.86 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17) HEMJJKBWTPKOJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00036 C13H18O2 9.72 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0425_00037 C17H15NO3 6.23 CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) RJMIEHBSYVWVIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0425_00038 C25H28N6O 10.12 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) YOSHYTLCDANDAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00039 C16H14O3 6.77 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) DKYWVDODHFEZIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0425_00040 C15H15NO2 9.29 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) HYYBABOKPJLUIN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0425_00041 C15H22N2O 7.49 CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18) INWLQCZOYSRPNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinecarboxylic acids and derivatives (CHEMONTID:0001974) Piperidinecarboxamides (CHEMONTID:0002312) NA (NA) +0425_00042 C7H7NO3 2.04 C1=CC(=C(C=C1N)C(=O)O)O InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11) KBOPZPXVLCULAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzoic acids (CHEMONTID:0002948) +0425_00043 C15H16O2 8.54 CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3 BLXXJMDCKKHMKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00044 C13H12N2O5S 8.24 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 HYWYRSMBCFDLJT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00045 C8H11NO2 1.96 C1=CC(=CC=C1C(CN)O)O InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 QHGUCRYDKWKLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00046 C19H20N2O3 7.73 CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3 HFHZKZSRXITVMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00047 C11H18N2O3 7.92 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) WEXRUCMBJFQVBZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0425_00048 C12H12N2O3 6.1 CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) DDBREPKUVSBGFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00049 C19H20N2O2 7.46 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00050 C5H12NO4P 1.29 CP(=O)(CCC(C(=O)O)N)O InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) IAJOBQBIJHVGMQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00051 C19H20N2O3S 10.64 CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) HYAFETHFCAUJAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00052 C17H18N2O5S 6.04 C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3 InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) UJEWTUDSLQGTOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00053 C13H20N2O 7.49 CCCNC(C)C(=O)NC1=CC=CC=C1C InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16) MVFGUOIZUNYYSO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00054 C13H19NO4S 6.46 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) DBABZHXKTCFAPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00055 C28H27NO4S 8.86 C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 GZUITABIAKMVPG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00056 C14H12O3 6.82 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H LUKBXSAWLPMMSZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0425_00057 C12H21N 3.19 CC(C12CC3CC(C1)CC(C3)C2)N InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3 UBCHPRBFMUDMNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0425_00058 C7H5NO3S 3.09 C1=CC=C2C(=C1)C(=O)NS2(=O)=O InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) CVHZOJJKTDOEJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00059 C7H7NO2 4.83 C1=CC=C(C(=C1)C(=O)N)O InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) SKZKKFZAGNVIMN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0425_00060 C25H37NO4 1.11 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 GIIZNNXWQWCKIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzyl alcohols (CHEMONTID:0000033) NA (NA) NA (NA) +0425_00061 C12H18N2O3 8.39 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) KQPKPCNLIDLUMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00062 C12H20N2O3S 3.91 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 ZBMZVLHSJCTVON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00063 C15H23N3O4S 4.42 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) BGRJTUBHPOOWDU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00064 C14H12O3S 8.96 CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) MDKGKXOCJGEUJW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00065 C9H16N4OS 7.21 CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) HBPDKDSFLXWOAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiadiazoles (CHEMONTID:0000093) Aminothiadiazoles (CHEMONTID:0002562) 2-amino-1,3,4-thiadiazoles (CHEMONTID:0004001) +0425_00066 C12H19NO3 3.48 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 XWTYSIMOBUGWOL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Resorcinols (CHEMONTID:0000137) NA (NA) +0425_00067 C10H7N3S 6.52 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) WJCNZQLZVWNLKY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00068 C7H6O2S 5.44 C1=CC=C(C(=C1)C(=O)O)S InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9) NBOMNTLFRHMDEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Sulfanylbenzoic acids and derivatives (CHEMONTID:0002086) O-sulfanylbenzoic acids and derivatives (CHEMONTID:0003105) +0425_00069 C7H17N 4.41 CCCCCC(C)N InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3 VSRBKQFNFZQRBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) Monoalkylamines (CHEMONTID:0000469) +0425_00070 C8H8N2O3S 5.17 C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) UBQNRHZMVUUOMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzisoxazoles (CHEMONTID:0002332) NA (NA) NA (NA) NA (NA) +0425_00071 C21H30O4 9.91 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 OMFXVFTZEKFJBZ-HJTSIMOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00072 C21H28O5 8.92 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 OIGNJSKKLXVSLS-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00073 C18H24O3 7.82 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 PROQIPRRNZUXQM-ZXXIGWHRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00074 C18H24O2 10.79 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 VOXZDWNPVJITMN-ZBRFXRBCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00075 C20H30O2 13.96 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1 ZDHCJEIGTNNEMY-XGXHKTLJSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0425_00076 C21H26O5 8.31 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 XOFYZVNMUHMLCC-ZPOLXVRWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0425_00077 C18H22O2 10.84 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 DNXHEGUUPJUMQT-CBZIJGRNSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00078 C2H6O4S 1.52 CCOS(=O)(=O)O InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5) KIWBPDUYBMNFTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) Sulfuric acid esters (CHEMONTID:0003455) Sulfuric acid monoesters (CHEMONTID:0001185) NA (NA) +0425_00079 C20H32O2 14.41 C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1 IKXILDNPCZPPRV-RFMGOVQKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00080 C9H13NO2 3.24 CNC[C@@H](C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +0425_00081 C12H11NO2 7.42 CNC(=O)OC1=CC=CC2=CC=CC=C21 InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14) CVXBEEMKQHEXEN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00082 C15H23NO4 6.32 C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1 YPHMISFOHDHNIV-FSZOTQKASA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Hydropyridines (CHEMONTID:0002224) Tetrahydropyridines (CHEMONTID:0001934) NA (NA) +0425_00083 C16H19N3O4S 4.46 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0425_00084 C7H9NO2S 4.79 CC1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) LMYRWZFENFIFIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) Tosyl compounds (CHEMONTID:0003276) P-toluenesulfonamides (CHEMONTID:0004517) +0425_00085 C19H22O6 4.42 C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 IXORZMNAPKEEDV-OBDJNFEBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Diterpenoids (CHEMONTID:0001551) Gibberellins (CHEMONTID:0001767) C19-gibberellins (CHEMONTID:0002998) +0425_00086 C15H16O2 8.49 CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 IISBACLAFKSPIT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) Bisphenols (CHEMONTID:0000143) NA (NA) +0425_00087 C23H22O6 10.44 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 JUVIOZPCNVVQFO-HBGVWJBISA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Rotenoids (CHEMONTID:0001607) Rotenones (CHEMONTID:0003528) NA (NA) +0425_00088 C12H10O2 5.7 C1=CC=C2C(=C1)C=CC=C2CC(=O)O InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) PRPINYUDVPFIRX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00089 C10H12N2O5 7.92 CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3 OWZPCEFYPSAJFR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00090 C12H10O 9.09 C1=CC=C(C=C1)C2=CC=CC=C2O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00091 C9H13NO2 2.26 CNCC(C1=CC=C(C=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3 YRCWQPVGYLYSOX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-2-unsubstituted benzenoids (CHEMONTID:0004646) NA (NA) NA (NA) +0425_00092 C6H7NO2S 3.92 C1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) KHBQMWCZKVMBLN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00093 C6H13NO3S 4.12 C1CCC(CC1)NS(=O)(=O)O InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) HCAJEUSONLESMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfamic acid derivatives (CHEMONTID:0000039) Cyclamates (CHEMONTID:0000365) NA (NA) NA (NA) +0425_00094 C9H12N2O 5.11 CN(C)C(=O)NC1=CC=CC=C1 InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12) XXOYNJXVWVNOOJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00095 C3H3N3O3 1.34 C1(=O)NC(=O)NC(=O)N1 InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) ZFSLODLOARCGLH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00096 C8H12NO5PS2 6.16 COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11) BSBSDQUZDZXGFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) Phenyl thiophosphates (CHEMONTID:0004748) +0425_00097 C10H8O3S 5.42 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) KVBGVZZKJNLNJU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00098 C12H14N2O5 9.19 C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2 QJYHUJAGJUHXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0425_00099 C16H11NO2 5.89 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19) YTRMTPPVNRALON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Phenylquinolines (CHEMONTID:0002348) NA (NA) NA (NA) +0425_00100 C7H7N3 6.56 CC1=CC2=NNN=C2C=C1 InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) LRUDIIUSNGCQKF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0425_00101 C14H22O 12.3 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 ISAVYTVYFVQUDY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00102 C2H6N4O 1.73 C(=NC(=O)N)(N)N InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7) SQSPRWMERUQXNE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) NA (NA) NA (NA) NA (NA) +0425_00103 C14H18N2O3 9.02 CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19) NZXKDOXHBHYTKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Barbituric acid derivatives (CHEMONTID:0000292) +0425_00104 C8H13N2O3PS 8.03 CCOP(=S)(OCC)OC1=NC=CN=C1 InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3 IRVDMKJLOCGUBJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0425_00105 C4H8O3 1.26 C(CC(=O)O)CO InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7) SJZRECIVHVDYJC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Hydroxy fatty acids (CHEMONTID:0000341) NA (NA) +0425_00106 C19H26O3 6.61 C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1 OSVMTWJCGUFAOD-KZQROQTASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00107 C18H30O 14.6 CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 PFEFOYRSMXVNEL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00108 C14H24NO4PS3 10.48 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3 RRNIZKPFKNDSRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00109 C18H24N2 11.78 CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3 ZZMVLMVFYMGSMY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) Phenylalkylamines (CHEMONTID:0003924) +0425_00110 C7H7N3 5.11 C1=CC=C2C(=C1)NC(=N2)N InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) JWYUFVNJZUSCSM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00111 C10H12N2O5 8.13 CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3 IIPZYDQGBIWLBU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Nitrophenols (CHEMONTID:0000141) Dinitrophenols (CHEMONTID:0004505) NA (NA) +0425_00112 C20H32O2 14.41 C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1 UXYRZJKIQKRJCF-TZPFWLJSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00113 C18H30O3S 14.15 CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1 InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3 YRIUSKIDOIARQF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonic acids and derivatives (CHEMONTID:0000032) Benzenesulfonate esters (CHEMONTID:0004309) NA (NA) +0425_00114 C9H9N3OS 7.1 CNC(=O)NC1=NC2=CC=CC=C2S1 InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13) DTCJYIIKPVRVDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00115 C14H20N2O 9.15 CC1CCCCC1NC(=O)NC2=CC=CC=C2 InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17) JXVIIQLNUPXOII-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00116 C13H18N2O2 8.23 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) ZTMKADLOSYKWCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00117 C8H10N2O4S 1.46 COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11) VGPYEHKOIGNJKV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0425_00118 C18H15N3O8S2 4.56 CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)O InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29) RSNSKUBBVCGSND-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00119 C13H10O3 7.77 C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15) NXTDJHZGHOFSQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00120 C11H8N2O 6.8 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13) UYJUZNLFJAWNEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00121 C12H13NO2S 7.42 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) GYSSRZJIHXQEHQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00122 C12H13NO4S 5.57 CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) AMEKQAFGQBKLKX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00123 C12H18N2O 5.99 CCNCC(=O)NC1=C(C=CC=C1C)C InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15) WRMRXPASUROZGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00124 C16H16N2O4 8.53 CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2 InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) WZJZMXBKUWKXTQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00125 C16H16N2O4 8.72 CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) IDOWTHOLJBTAFI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00126 C18H22O2 9.17 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1 MEHHPFQKXOUFFV-OWSLCNJRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00127 C9H9N3O2 5.8 COC(=O)NC1=NC2=CC=CC=C2N1 InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) TWFZGCMQGLPBSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) 2-benzimidazolylcarbamic acid esters (CHEMONTID:0004711) NA (NA) NA (NA) +0425_00128 C15H16N2O2 7.12 COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3 HUTDUHSNJYTCAR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0425_00129 C14H20N3O5PS 11.36 CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3 JOOMJVFZQRQWKR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Aryl thiophosphates (CHEMONTID:0004623) NA (NA) +0425_00130 C16H18N2O3 8.39 CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19) AMVYOVYGIJXTQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00131 C21H24O2 9.64 CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 BJJXHLWLUDYTGC-ANULTFPQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00132 C12H15NO4 5.09 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) RHSUJRQZTQNSLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Coumarans (CHEMONTID:0004189) NA (NA) NA (NA) NA (NA) +0425_00133 C10H11N3OS 8.23 CNC(=O)N(C)C1=NC2=CC=CC=C2S1 InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14) RRVIAQKBTUQODI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00134 C12H18N4O6S 10.22 CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) UNAHYJYOSSSJHH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Aniline and substituted anilines (CHEMONTID:0000284) Dinitroanilines (CHEMONTID:0003968) NA (NA) +0425_00135 C8H14N4OS 7.04 CC(C)(C)C1=NN=C(N(C1=O)N)SC InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 FOXFZRUHNHCZPX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00136 C13H22NO3PS 10.41 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) ZCJPOPBZHLUFHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxy compounds (CHEMONTID:0004742) NA (NA) NA (NA) +0425_00137 C24H40O4 11.12 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-UZVSRGJWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0425_00138 C15H24NO4PS 11.2 CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) HOQADATXFBOEGG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00139 C18H16N2O8S2 2.88 CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27) UQWIHFJXDRNUDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) Naphthalene sulfonic acids and derivatives (CHEMONTID:0003597) Naphthalene sulfonates (CHEMONTID:0003310) 2-naphthalene sulfonates (CHEMONTID:0003601) +0425_00140 C16H19N3O5S 3.68 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 LSQZJLSUYDQPKJ-NJBDSQKTSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactams (CHEMONTID:0000160) Beta lactams (CHEMONTID:0000162) Penams (CHEMONTID:0000172) Penicillins (CHEMONTID:0000174) +0425_00141 C10H13N5O4 5.06 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2',3'-dideoxyribonucleosides (CHEMONTID:0002182) NA (NA) NA (NA) +0425_00142 C13H22NO5PS 7.17 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15) LVNYJXIBJFXIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonyl compounds (CHEMONTID:0004233) NA (NA) NA (NA) +0425_00143 C4H5NO4S 2.34 CC1=CC(=O)NS(=O)(=O)O1 InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) YGCFIWIQZPHFLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfuric acids and derivatives (CHEMONTID:0000403) NA (NA) NA (NA) NA (NA) +0425_00144 C12H18N2O 8.29 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) PUIYMUZLKQOUOZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00145 C13H21N2O4PS 11.18 CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-] InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21) OEYOMNZEMCPTKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Nitrobenzenes (CHEMONTID:0000036) NA (NA) NA (NA) +0425_00146 C8H12N4O5 1.46 C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 IWUCXVSUMQZMFG-AFCXAGJDSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Triazole ribonucleosides and ribonucleotides (CHEMONTID:0002342) NA (NA) NA (NA) NA (NA) +0425_00147 C12H12N4 8.22 CC1=CC(=NN1C2=NC3=CC=CC=C3N2)C InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14) RUGYNGIMTAFTLP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) NA (NA) NA (NA) NA (NA) +0425_00148 C10H10N4O 5.22 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 VHCNQEUWZYOAEV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00149 C13H24N4O3S 10.5 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16) DSKJPMWIHSOYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Aminopyrimidines and derivatives (CHEMONTID:0001262) NA (NA) +0425_00150 C17H27NO4 5.12 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1 VWPOSFSPZNDTMJ-UCWKZMIHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Tetralins (CHEMONTID:0000048) NA (NA) NA (NA) NA (NA) +0425_00151 C17H20N2O 9.64 CC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2 InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20) NNYRZQHKCHEXSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0425_00152 C9H8N4OS 7.12 C1=CC=C(C=C1)NC(=O)NC2=CN=NS2 InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14) HFCYZXMHUIHAQI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00153 C15H23NO 6.47 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3 JLICHNCFTLFZJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azepanes (CHEMONTID:0000307) NA (NA) NA (NA) NA (NA) +0425_00154 C17H19NO2 9.58 CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19) BCTQJXQXJVLSIG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) Aromatic anilides (CHEMONTID:0004712) Benzanilides (CHEMONTID:0004713) +0425_00155 C9H21O4PS3 8.98 CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3 DWZSTEUTHNUVQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic dithiophosphoric acids and derivatives (CHEMONTID:0003385) Dithiophosphate O-esters (CHEMONTID:0004164) NA (NA) NA (NA) +0425_00156 C16H20N4O3S 8.29 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) NGBFQHCMQULJNZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0425_00157 C7H12N4O2 6.67 CC(C)(C)C1=NNC(=O)N(C1=O)N InChI=1S/C7H12N4O2/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13) AHBXXEZLRFCZSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00158 C17H19NO4 10.55 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) HJUFTIJOISQSKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00159 C15H16N4O5S 5.03 CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) ZDXMLEQEMNLCQG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00160 C14H15N5O6S 4.51 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21) RSMUVYRMZCOLBH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00161 C23H36O7 8.27 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1 TUZYXOIXSAXUGO-PZAWKZKUSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0425_00162 C13H15N3O3 3.1 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19) CLQMBPJKHLGMQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00163 C17H17N3O3 4.85 CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) CABMTIJINOIHOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0425_00164 C15H19N3O3 4.32 CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21) XVOKUMIPKHGGTN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00165 C16H20N2O3 7.15 CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20) FFCCBBNQPIMUJI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00166 C16H18N4O7S 7.66 COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) XMQFTWRPUQYINF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0425_00167 C30H46NO7P 13.26 CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3 InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1 BIDNLKIUORFRQP-FKDWWROVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00168 C23H23N3O5 5.61 CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1 UCFGDBYHRUNTLO-QHCPKHFHSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Camptothecins (CHEMONTID:0000240) NA (NA) NA (NA) NA (NA) +0425_00169 C24H29N5O3 8.17 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1 ACWBQPMHZXGDFX-QFIPXVFZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00170 C10H13N5O4 3.84 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0425_00171 C14H21NO4 3.58 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18) PUQIRTNPJRFRCZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) NA (NA) NA (NA) NA (NA) +0425_00172 C13H22N4O4S 3.98 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-] InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3 DFJVUWAHTQPQCV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0425_00173 C14H25N3O4S 6.06 C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1 IVBOUFAWPCPFTQ-SFYZADRCSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0425_00174 C12H12N4O3S 3.76 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16) NJIZUWGMNCUKGU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00175 C9H14N5O4P 3.18 CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17) SGOIRFVFHAKUTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +0425_00176 C16H28N2O4 8.79 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 VSZGPKBBMSAYNT-RRFJBIMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00177 C12H13N3O4S 4.33 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15) GXPIUNZCALHVBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00178 C7H13NO4S 2.5 CC(C)(CS(=O)(=O)O)NC(=O)C=C InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12) XHZPRMZZQOIPDS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0425_00179 C12H18O7 4.3 CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C(=O)O)C InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)/t6-,7+,8-,12+/m0/s1 FWCBATIDXGJRMF-FLNNQWSLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Acetals (CHEMONTID:0001656) Ketals (CHEMONTID:0004472) +0425_00180 C27H36N2O4 12.81 CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 FAEKWTJYAYMJKF-QHCPKHFHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Phenylpiperidines (CHEMONTID:0000303) NA (NA) NA (NA) +0425_00181 C33H30N4O2 11.24 CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) RMMXLENWKUUMAY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00182 C14H16N4O3S 5.06 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18) LJKAKWDUZRJNPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00183 C11H11N3O3S2 4.61 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2 InChI=1S/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15) KXNXWINFSDKMHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00184 C4H4N2O 5.01 C1=CNC(=O)N=C1 InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7) VTGOHKSTWXHQJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00185 C12H21N3O5S3 5.74 CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 HCRKCZRJWPKOAR-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thienothiazines (CHEMONTID:0001928) NA (NA) NA (NA) NA (NA) +0425_00186 C5H11NO4S 1.46 CC(=O)NCCCS(=O)(=O)O InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10) AFCGFAGUEYAMAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +0425_00187 C45H76O16 13.67 C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O)OC)C)O)C)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)(C)O)C InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1 WINSLRIENGBHSH-ASZYJFLUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) C-glycosyl compounds (CHEMONTID:0002204) +0425_00188 C19H22O2 11.24 CC(C1=CC=C(C2=CC=CC=C21)C3CCCCC3)C(=O)O InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21) VZUGVMQFWFVFBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00189 C12H13N3O2 4.51 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) WSJBSKRPKADYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Pyrazoles (CHEMONTID:0000087) Phenylpyrazoles (CHEMONTID:0002019) NA (NA) +0425_00190 C15H18N6O6S 4.32 CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23) RTCOGUMHFFWOJV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinesulfonamides (CHEMONTID:0001861) NA (NA) NA (NA) +0425_00191 C18H24N2O4 9.39 CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21) PMHURSZHKKJGBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Methoxybenzenes (CHEMONTID:0004113) Dimethoxybenzenes (CHEMONTID:0004111) NA (NA) +0425_00192 C12H13N5O6S2 4.52 CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19) AHTPATJNIAFOLR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thiophenes (CHEMONTID:0000097) Thiophene carboxylic acids and derivatives (CHEMONTID:0002017) NA (NA) NA (NA) +0425_00193 C6H5N3O 3.69 C1=CC=C2C(=C1)N=NN2O InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H ASOKPJOREAFHNY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzotriazoles (CHEMONTID:0000315) NA (NA) NA (NA) NA (NA) +0425_00194 C12H16O3 10.62 CCCCCC(=O)C1=C(C=C(C=C1)O)O InChI=1S/C12H16O3/c1-2-3-4-5-11(14)10-7-6-9(13)8-12(10)15/h6-8,13,15H,2-5H2,1H3 SKUFHZAEFGZSQK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00195 C8H12N2O2S 7.14 CN(C)S(=O)(=O)NC1=CC=CC=C1 InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3 QCDQDISRALTLNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00196 C24H28O2 14.08 CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) NAVMQTYZDKMPEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0425_00197 C15H14N2O3 6.64 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20) PRGQOPPDPVELEG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0425_00198 C15H19N3O4 3.74 CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) NUPJIGQFXCQJBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00199 C13H22N4O3S 6.37 CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3 NKNFWVNSBIXGLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00200 C13H17NO2 5.27 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) INGSNVSERUZOAK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00201 C14H12O3 12.15 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2O InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3 MPOIUZCYWIPYNC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzophenones (CHEMONTID:0000120) NA (NA) NA (NA) +0425_00202 C12H11NO2 7.54 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2 InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14) JFSPBVWPKOEZCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00203 C14H21NO4 9.01 CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16) LNJNFVJKDJYTEU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00204 C22H28N2O2 10.42 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25) QYPNKSZPJQQLRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0425_00205 C8H9NO2 4.36 C1C=CC[C@H]2[C@@H]1C(=O)NC2=O InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+ CIFFBTOJCKSRJY-OLQVQODUSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Isoindoles and derivatives (CHEMONTID:0001819) Isoindolines (CHEMONTID:0002496) Isoindolones (CHEMONTID:0001820) NA (NA) +0425_00206 C22H28N2O3 9.55 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25) QCAWEPFNJXQPAN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) NA (NA) NA (NA) +0425_00207 C21H28O4 12.02 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1 YOVRGSHRZRJTLZ-HZPDHXFCSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0425_00208 C18H22O3 8.42 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1 WPOCIZJTELRQMF-QFXBJFAPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00209 C14H21NO5S 8.02 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19) UTCJUUGCHWHUNI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00210 C7H14N2O3S 3.36 CC(C(=NOC(=O)NC)C)S(=O)C InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10) RCTCYOQIGNPQJH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0425_00211 C16H14N2O3S 7.46 CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00212 C21H34O2 13.24 CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1 ZWWRREXSUJTKNN-AEFFLSMTSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Cyclohexylphenols (CHEMONTID:0002099) NA (NA) NA (NA) +0425_00213 C38H52N6O7 12.36 CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 AXRYRYVKAWYZBR-GASGPIRDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00214 C12H16N2O3 6.54 CCNC(=O)[C@@H](C)OC(=O)NC1=CC=CC=C1 InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1 AMRQXHFXNZFDCH-SECBINFHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylcarbamic acid esters (CHEMONTID:0004714) NA (NA) NA (NA) +0425_00215 C11H13NO3 5.57 CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15) HYHJOUPYTUBFIX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00216 C14H14O3 6.74 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0425_00217 C14H13NO7S 2.13 CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-] InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 KPUREKXXPHOJQT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00218 C17H20N2O3 9.82 CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20) VHLKTXFWDRXILV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Biphenyls and derivatives (CHEMONTID:0000041) NA (NA) NA (NA) +0425_00219 C10H14N2O 8.81 CC(C)C1=CC=C(C=C1)NC(=O)N InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13) ABBKOIZWGCVCKE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) N-phenylureas (CHEMONTID:0001935) NA (NA) NA (NA) +0425_00220 C31H44N2O5S 13.34 CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3 ZQTNQVWKHCQYLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +0425_00221 C22H18N2O4 10.99 CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4 InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3 PCCSBWNGDMYFCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylethers (CHEMONTID:0004155) NA (NA) NA (NA) +0425_00222 C27H37N3O7S 9.37 CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 CJBJHOAVZSMMDJ-HEXNFIEUSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) Aminobenzenesulfonamides (CHEMONTID:0001925) NA (NA) +0425_00223 C37H48N6O5S2 12.52 CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 NCDNCNXCDXHOMX-XGKFQTDJSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00224 C18H22O3 9.74 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 SWINWPBPEKHUOD-JPVZDGGYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00225 C24H30O6 6.74 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1 JUKPWJGBANNWMW-VWBFHTRKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) Spironolactones and derivatives (CHEMONTID:0001807) NA (NA) +0425_00226 C14H24N2O4 4.92 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1 NENPYTRHICXVCS-YNEHKIRRSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00227 C30H49N9O9 3.16 CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1 PSWFFKRAVBDQEG-YGQNSOCVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +0425_00228 C14H16N4O5S 5.09 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18) WIYOSEJTAADVPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00229 C21H30O2 13.69 CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 QHMBSVQNZZTUGM-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Aromatic monoterpenoids (CHEMONTID:0000051) NA (NA) +0425_00230 C21H30O3 12.3 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)CO)O InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1 YCBKSSAWEUDACY-IAGOWNOFSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) 2,2-dimethyl-1-benzopyrans (CHEMONTID:0003522) NA (NA) +0425_00231 C5H4N4S 2.62 C1=NC2=C(N1)C(=S)N=CN2 InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) GLVAUDGFNGKCSF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinethiones (CHEMONTID:0001998) NA (NA) +0425_00232 C7H5NS2 6.58 C1=CC=C2C(=C1)NC(=S)S2 InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) YXIWHUQXZSMYRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazoles (CHEMONTID:0000311) NA (NA) NA (NA) NA (NA) +0425_00233 C9H14N2O2S 7.23 CC1=CC=C(C=C1)NS(=O)(=O)N(C)C InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3 UDCDOJQOXWCCSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Sulfanilides (CHEMONTID:0000038) NA (NA) NA (NA) +0425_00234 C21H20O6 10 COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ VFLDPWHFBUODDF-FCXRPNKRSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Diarylheptanoids (CHEMONTID:0002650) Linear diarylheptanoids (CHEMONTID:0002651) Curcuminoids (CHEMONTID:0000356) NA (NA) +0425_00235 C11H18N2O2S 8.63 CCCC(C)C1(C(=O)NC(=S)NC1=O)CC InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) IUJDSEJGGMCXSG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) Thiobarbituric acid derivatives (CHEMONTID:0001122) +0425_00236 C13H22N4O3S 4.67 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00237 C7H11N7S 9.67 CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-] InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12) AFIIBUOYKYSPKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) Methylthio-s-triazines (CHEMONTID:0004735) NA (NA) +0425_00238 C12H14N4O4S2 6.88 COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) QGHREAKMXXNCOA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) NA (NA) NA (NA) NA (NA) +0425_00239 C13H22N4O4S 3.93 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ SKHXRNHSZTXSLP-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0425_00240 C7H13O5PS 5.12 C/C(=C\OP(=S)(OC)OC)/C(=O)OC InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+ NTAHCMPOMKHKEU-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) Thiophosphate triesters (CHEMONTID:0003384) NA (NA) +0425_00241 C14H22N2O2 6.56 CC[N+](CC)(CC(=O)NC1=C(C=CC=C1C)C)[O-] InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) YDVXPJXUHRROBA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00242 C20H30O2 13.82 CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1 ANJQEDFWRSLVBR-VHUDCFPWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00243 C42H70O11 14.67 CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1 KQXDHUJYNAXLNZ-XQSDOZFQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Terpene glycosides (CHEMONTID:0002049) Diterpene glycosides (CHEMONTID:0001755) NA (NA) +0425_00244 C16H25NO2 6.12 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3 MKAFOJAJJMUXLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenol ethers (CHEMONTID:0002341) Anisoles (CHEMONTID:0000138) NA (NA) NA (NA) +0425_00245 C23H24N2O4S 6.51 CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ OROAFUQRIXKEMV-LDADJPATSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0425_00246 C21H23NO3 7.69 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8- JBIMVDZLSHOPLA-LSCVHKIXSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzoxepines (CHEMONTID:0001910) Dibenzoxepines (CHEMONTID:0001988) NA (NA) NA (NA) +0425_00247 C19H27NO3 11.37 CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1 OELFLUMRDSZNSF-OFLPRAFFSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00248 C7H10N4O3 5.58 CCNC(=O)NC(=O)/C(=N\OC)/C#N InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5- XERJKGMBORTKEO-WZUFQYTHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic carbonic acids and derivatives (CHEMONTID:0000364) Ureas (CHEMONTID:0000517) Ureides (CHEMONTID:0002022) N-acyl ureas (CHEMONTID:0002023) +0425_00249 C10H20NO4PS 9.75 CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+ BZNDWPRGXNILMS-VQHVLOKHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) NA (NA) NA (NA) +0425_00250 C8H17NO2 4.04 CC(C)C[C@@H](CC(=O)O)CN InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1 AYXYPKUFHZROOJ-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0425_00251 C30H53N3O6 10.89 CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 UXOWGYHJODZGMF-QORCZRPOSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0425_00252 C15H23NO5S 8.19 CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) CIGKZVUEZXGYSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00253 C12H19NO5S2 6.97 CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17) YMYKMSAZEZQEER-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Heteroaromatic compounds (CHEMONTID:0004144) NA (NA) NA (NA) NA (NA) +0425_00254 C47H75NO17 11.77 C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47+/m0/s1 VQOXZBDYSJBXMA-RKEBNKJGSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00255 C16H26N2O5S 4.91 CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)O)N)/C(=O)O)C InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1 DHSUYTOATWAVLW-WFVMDLQDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00256 C47H70O14 13.36 C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1 ZFUKERYTFURFGA-PVVXTEPVSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Macrolides and analogues (CHEMONTID:0000147) NA (NA) NA (NA) NA (NA) +0425_00257 C41H76N2O15 11.54 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 RXZBMPWDPOLZGW-HEWSMUCTSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00258 C7H14N2O4S 3.67 CC(/C(=N\OC(=O)NC)/C)S(=O)(=O)C InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5- CTJBHIROCMPUKL-UITAMQMPSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Oxime carbamates (CHEMONTID:0004752) NA (NA) NA (NA) +0425_00259 C10H11N5O 4.13 CC1=NNC(=O)N(C1)/N=C\C2=CN=CC=C2 InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6- QHMTXANCGGJZRX-SDQBBNPISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00260 C24H30N2O3 9.91 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27) HPNSNYBUADCFDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzopyrans (CHEMONTID:0000123) 1-benzopyrans (CHEMONTID:0003410) NA (NA) NA (NA) +0425_00261 C17H17N3OS 9.18 C[C@@]1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3 InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1 LMVPQMGRYSRMIW-KRWDZBQOSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00262 C19H22N2O3 10.63 CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=N/OC)/C(=O)NC InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18- WXUZAHCNPWONDH-UZYVYHOESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0425_00263 C18H28N2O3 9.8 CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1 NWUWYYSKZYIQAE-WMCAAGNKSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Toluenes (CHEMONTID:0001091) NA (NA) NA (NA) +0425_00264 C17H20N6O7S 5.62 CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26) PXDNXJSDGQBLKS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Sulfonylureas (CHEMONTID:0000490) Pyrimidinyl-2-sulfonylureas (CHEMONTID:0004705) NA (NA) +0425_00265 C11H12O5 1.49 C1CC1C(=C2C(=O)CC(CC2=O)C(=O)O)O InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16) DFFWZNDCNBOKDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Vinylogous acids (CHEMONTID:0003889) NA (NA) NA (NA) NA (NA) +0425_00266 C14H19NO4 7.69 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)C(=O)O InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18) MHCYOELBTPOBIU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00267 C15H21NO4 8.29 CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19) LNOOSYCKMKZOJB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00268 C11H15NO4S 6.01 CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16) BFSZJLBDHMMCAH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00269 C8H14O7 1.35 CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1 IWJBVMJWSPZNJH-UQGZVRACSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Glucuronic acid derivatives (CHEMONTID:0002094) +0425_00270 C17H26O3 11.44 CCCCCCCCCC(C(=O)O)OC1=CC=CC=C1 InChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19) PIWQVBDRRFMUIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenoxyacetic acid derivatives (CHEMONTID:0000417) NA (NA) NA (NA) +0425_00271 C14H13N3O4S2 6.41 CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) ZRVUJXDFFKFLMG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzothiazines (CHEMONTID:0000309) NA (NA) NA (NA) NA (NA) +0425_00272 C19H16O4 6.56 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 PJVWKTKQMONHTI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Coumarins and derivatives (CHEMONTID:0000145) Hydroxycoumarins (CHEMONTID:0002908) 4-hydroxycoumarins (CHEMONTID:0002907) NA (NA) +0425_00273 C21H15N3O5 7.94 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)O InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+ IKCXDZCEWZARFL-FOWTUZBSSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Ethers (CHEMONTID:0000254) Diarylethers (CHEMONTID:0002463) NA (NA) +0425_00274 C17H27N3O5S 4.81 CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-] InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21) LLIKIPAUZJTRGB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Aminobenzoic acids and derivatives (CHEMONTID:0000281) Aminobenzamides (CHEMONTID:0001917) +0425_00275 C7H14N4O3 3.59 CN/C(=N\[N+](=O)[O-])/NCC1CCOC1 InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10) YKBZOVFACRVRJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) Nitroguanidines (CHEMONTID:0004667) NA (NA) +0425_00276 C12H17NO4S 6.97 CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16) HOYCASTVMCEOTP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00277 C14H17N3O4S 6.02 CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)(=O)O InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21) IPVCSECPEVHQOV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00278 C13H19NO5S 6.16 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18) RVSCDWJKJDBFRS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Anilides (CHEMONTID:0000285) NA (NA) NA (NA) +0425_00279 C13H17NO4 6.07 CC1=C(C(=CC=C1)C)N(CCOC)C(=O)C(=O)O InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17) MHGMSAFPNAKIRZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00280 C8H15N5O 6 CCNC1=NC(=O)NC(=N1)NC(C)C InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14) NFMIMWNQWAWNDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00281 C22H30N6O4S 9.5 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzenesulfonamides (CHEMONTID:0000031) NA (NA) NA (NA) +0425_00282 C10H15N5O3 3.34 C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) JNTOCHDNEULJHD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Purinones (CHEMONTID:0000597) Hypoxanthines (CHEMONTID:0000246) +0425_00283 C5H4N4O 3.04 C1=NNC2=C1C(=O)NC=N2 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrazolopyrimidines (CHEMONTID:0000305) Pyrazolo[3,4-d]pyrimidines (CHEMONTID:0004387) NA (NA) NA (NA) +0425_00284 C7H13N5O 5.56 CCNC1=NC(=NC(=O)N1)NCC InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13) YQIXRXMOJFQVBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00285 C17H16N2OS 9.91 C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4 InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20) AIZFEOPQVZBNGH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Thienodiazepines (CHEMONTID:0002313) NA (NA) NA (NA) NA (NA) +0425_00286 C14H22N6O5 4.08 CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 WPVFJKSGQUFQAP-GKAPJAKFSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0425_00287 C10H9N3O 5.72 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14) OUSYWCQYMPDAEO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,2,4-triazines (CHEMONTID:0004107) NA (NA) NA (NA) +0425_00288 C11H19N3O 7.97 CCCCC1=C(N=C(NC1=O)N(C)C)C InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15) CJHXCRMKMMBYJQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Tertiary alkylarylamines (CHEMONTID:0002454) +0425_00289 C11H19N3O 8.39 CCCCC1=C(N=C(NC1=O)NCC)C InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15) BBXXLROWFHWFQY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Hydroxypyrimidines (CHEMONTID:0004161) NA (NA) +0425_00290 C9H17N5O 8.19 CC(C)NC1=NC(=NC(=O)N1)NC(C)C InChI=1S/C9H17N5O/c1-5(2)10-7-12-8(11-6(3)4)14-9(15)13-7/h5-6H,1-4H3,(H3,10,11,12,13,14,15) RUOTUMSRCIMLJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00291 C9H17N5O 8.46 CCNC1=NC(=O)NC(=N1)NC(C)(C)C InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15) OYTCZOJKXCTBHG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Aminotriazines (CHEMONTID:0001693) N-aliphatic s-triazines (CHEMONTID:0003080) NA (NA) +0425_00292 C8H13N3OS 8.04 CC(C)(C)C1=NN=C(NC1=O)SC InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12) MIWRSUQXSCLDNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organosulfur compounds (CHEMONTID:0000004) Thioethers (CHEMONTID:0001202) Aryl thioethers (CHEMONTID:0004631) NA (NA) NA (NA) +0425_00293 C6H11N5O 4.08 CC(C)NC1=NC(=O)NC(=N1)N InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12) GCKLGRUZDXSATG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) 1,3,5-triazines (CHEMONTID:0004105) NA (NA) NA (NA) +0425_00294 C7H13N5O 5.42 CC(C)(C)NC1=NC(=O)NC(=N1)N InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13) NUISVCFZNCYUIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Triazines (CHEMONTID:0000098) Triazinones (CHEMONTID:0001920) NA (NA) NA (NA) +0425_00295 C27H31NO3 11.51 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC(=C(C=C3)OC)O InChI=1S/C27H31NO3/c1-5-24(22-13-16-26(30-4)25(29)19-22)27(20-9-7-6-8-10-20)21-11-14-23(15-12-21)31-18-17-28(2)3/h6-16,19,29H,5,17-18H2,1-4H3/b27-24- JUOIQAFNMJEPBM-PNHLSOANSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Stilbenes (CHEMONTID:0000253) NA (NA) NA (NA) NA (NA) +0425_00296 C19H28O3 6.61 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=CC(=O)CC[C@]34C)O InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1 XSEGWEUVSZRCBC-QXROXWLYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00297 C19H26O3 6.99 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)O InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1 WVAMBAWFDOYFOD-BMSLSITRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00298 C18H22O3 9.89 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3 XQZVQQZZOVBNLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0425_00299 C20H30N2O5 10.16 CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24) HLIAVLHNDJUHFG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0425_00300 C25H38O8 10.16 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1 VFUIRAVTUVCQTF-BSOWLZGZSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroidal glycosides (CHEMONTID:0001013) Steroid glucuronide conjugates (CHEMONTID:0001447) NA (NA) +0425_00301 C37H67NO13 11.26 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3 CIJTVUQEURKBDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Aminoglycosides (CHEMONTID:0000282) +0425_00302 C19H26O2 13.1 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 AEMFNILZOJDQLW-QAGGRKNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0425_00303 C20H34O2 13.96 C[C@]1(CCC2C1(CCC3C2CC[C@H]4C3(CC[C@@H](C4)O)C)C)O InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15?,16?,17?,18?,19?,20-/m1/s1 QGKQXZFZOIQFBI-RZEMGSGWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) diff --git a/processed_data/0425/0425_validation_qspr_outliers.tsv b/processed_data/0425/0425_validation_qspr_outliers.tsv new file mode 100644 index 000000000..3f82fce7a --- /dev/null +++ b/processed_data/0425/0425_validation_qspr_outliers.tsv @@ -0,0 +1,8 @@ +id error +0425_00057 5.098918177780634 +0425_00060 8.377756369120453 +0425_00106 3.384748606669244 +0425_00131 3.505139559868807 +0425_00201 4.454909790233276 +0425_00248 3.555960484958006 +0425_00281 5.07592408062024 diff --git a/processed_data/studies.tsv b/processed_data/studies.tsv index da91058c8..d34e1e277 100644 --- a/processed_data/studies.tsv +++ b/processed_data/studies.tsv @@ -389,4 +389,37 @@ id name url pmid source method.type comment missing information authors mail 0390 Brungs_NIH MZmine RP C. Brungs, R. Schmid, T. Pluskal 0391 Brungs_MCE MZmine RP C. Brungs, R. Schmid, T. Pluskal 0392 UIUC_Carver Dataset - La Frano RP M. R. La Frano +0393 SQFZ_injection 10.1016/j.jpba.2012.10.024 Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su +0394 ACQUITY_UPLC_HSSC18_QTOF_20min PredRet Submitted by Fangyuan Sun temperature, column id, column length, column particle size +0395 ST001610 Submitted from Fangyuan Sun. Dr. Xiaozhuo Chen +0396 ROASMI_55 10.1016/j.chroma.2013.03.006 Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan +0397 ROASMI_68 10.1016/j.phytochem.2014.10.005 Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt +0398 ROASMI_19 10.1016/j.chroma.2011.01.060 Submitted by Fangyuan Sun David R. Baker a, Barbara Kasprzyk-Hordern +0399 ROASMI_52 10.1016/j.chroma.2012.12.030 Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández +0400 ROASMI_79 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0401 ROASMI_80 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0402 ROASMI_81 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0403 ROASMI_82 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0404 ROASMI_49 10.1016/j.chroma.2015.03.063 Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron +0405 ROASMI_51 10.1038/s41596-020-0341-5 Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu +0406 ROASMI_7 10.1016/j.jpba.2015.06.020 Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang , Yan Zhu , Lei Zhang , Xin Chai, Miaomiao Jiang, Lihua Shan +0407 ROASMI_33 10.1021/acs.jafc.0c00879 Submitted by Fangyuan Sun Panagiotis Arapitsas,Maurizio Ugliano,Matteo Marangon,Paola Piombino,Luca Rolle,Vincenzo Gerbi,Andrea Versari,Fulvio Mattivi +0408 ROASMI_43 10.1007/s00216-013-6954-6 Submitted by Fangyuan Sun column temperature and flowrate Stanstrup, J., Gerlich, M., Dragsted, L.O. et al +0409 ROASMI_46 10.1016/j.scitotenv.2015.09.145 Submitted by Fangyuan Sun column.temperature Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis +0410 ROASMI_30 10.1007/s00216-015-8540-6 Submitted by Fangyuan Sun column temperature Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al +0411 ROASMI_18 10.1016/j.foodchem.2018.11.056 Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu +0412 ROASMI_61 10.1016/j.foodchem.2015.11.070 Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich +0413 ROASMI_6 10.1016/j.jpba.2019.06.042 Submitted by Fangyuan Sun column temperature Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua +0414 ROASMI_67 10.1016/j.chroma.2014.05.003 Submitted by Fangyuan Sun column temperature José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz +0415 ROASMI_83 10.1016/j.chroma.2015.11.014 Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes +0416 ROASMI_37 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Flowrate:0.3-0.4 Tsugawa, H., Nakabayashi, R., Mori, T. et al +0417 ROASMI_45 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun flowrate:0.3-0.4 Tsugawa, H., Nakabayashi, R., Mori, T. et al +0418 ROASMI_41 10.1016/j.aca.2019.02.001 Submitted by Fangyuan Sun Yezhen Huang, Yu Jiao, Yiqiao Gao, et al +0419 ROASMI_59 10.1038/s41597-019-0305-1 Submitted by Fangyuan Sun column temperature Olivier-Jimenez, D., Chollet-Krugler, M., Rondeau, D. et al. +0420 ROASMI_60 10.1038/s41597-019-0028-3 Submitted by Fangyuan Sun Fox Ramos, A.E., Le Pogam, P., Fox Alcover, C. et al +0421 ROASMI_54 10.1016/j.aca.2011.01.006 Submitted by Fangyuan Sun Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire +0422 ROASMI_2 10.1016/j.foodchem.2018.09.045 Submitted by Fangyuan Sun column temperature Vesna Vasić, Uroš Gašić, Dalibor Stanković, Dražen Lušić, Darija Vukić-Lušić, Dušanka Milojković-Opsenica, Živoslav Tešić, Jelena Trifković +0423 ROASMI_11 10.1016/j.jhazmat.2020.123706 Submitted by Fangyuan Sun column id, temperature, length, particle size Younghun Choi, Ji-Ho Lee, Kyunghyun Kim, Hyunsaing Mun, Naree Park, Junho Jeon +0424 ROASMI_28 10.1016/j.chroma.2012.03.059 Submitted by Fangyuan Sun Imma Ferrer, E. Michael Thurman +0425 ROASMI_70 10.1016/j.jhazmat.2019.121713 Submitted by Fangyuan Sun general flowrate, can be obtained from gradient data Mengling Tang, Yanhui Ao, Peifang Wang, Chao Wang draft_23062 ROASMI_23 10.1039/c6ra10883k Submitted by Fangyuan Sun Submitted by Fangyuan Sun. Changliang Yao, Wenzhi Yang Wei Si, Huiqin Pan, Shi Qiu, Jia Wu, Xiaojian Shi, Ruihong Feng, Wanying Wu and Dean Guo diff --git a/raw_data/0393/0393_gradient.tsv b/raw_data/0393/0393_gradient.tsv new file mode 100644 index 000000000..f442367da --- /dev/null +++ b/raw_data/0393/0393_gradient.tsv @@ -0,0 +1,8 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +6 0.3 80 20 +13 0.3 65 35 +18 0.3 50 50 +24 0.3 35 65 +30 0.3 10 90 +40 0.3 10 90 diff --git a/raw_data/0393/0393_info.tsv b/raw_data/0393/0393_info.tsv new file mode 100644 index 000000000..927840888 --- /dev/null +++ b/raw_data/0393/0393_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0393 10.1016/j.jpba.2012.10.024 Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su SQFZ_injection diff --git a/raw_data/0393/0393_metadata.tsv b/raw_data/0393/0393_metadata.tsv new file mode 100644 index 000000000..581895a90 --- /dev/null +++ b/raw_data/0393/0393_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0393 Agilent ZORBAX Eclipse Plus C18 L1 100.0 2.1 1.8 25.0 0.3 100 0 0 0 0 0 0 0 0 0.0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 10.0 90.0 0 0 % % % % diff --git a/raw_data/0393/0393_metadata.yaml b/raw_data/0393/0393_metadata.yaml new file mode 100644 index 000000000..7d8b6d8a2 --- /dev/null +++ b/raw_data/0393/0393_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Agilent ZORBAX Eclipse Plus C18 + id: 2.1 + temperature: 25 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '1.8' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + acetic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + acetic: + value: 0 + unit: '%' +id: '0393' diff --git a/raw_data/0393/0393_rtdata.tsv b/raw_data/0393/0393_rtdata.tsv new file mode 100644 index 000000000..da794d25a --- /dev/null +++ b/raw_data/0393/0393_rtdata.tsv @@ -0,0 +1,34 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0393_00001 1.875 5962 C(CCN)C[C@@H](C(=O)O)N +0393_00002 2.053 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0393_00003 2.077 305 C[N+](C)(C)CCO C[N+](C)(C)CCO +0393_00004 2.108 6267 C([C@@H](C(=O)O)N)C(=O)N +0393_00005 2.12 6288 C[C@H]([C@@H](C(=O)O)N)O +0393_00006 2.212 5570 C[N+]1=CC=CC(=C1)C(=O)[O-] C[N+]1=CC=CC(=C1)C(=O)[O-] +0393_00007 2.401 5988 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O +0393_00008 2.536 439242 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O +0393_00009 2.732 190 C1=NC2=NC=NC(=C2N1)N C1=NC2=NC=NC(=C2N1)N +0393_00010 2.799 247 C[N+](C)(C)CC(=O)[O-] C[N+](C)(C)CC(=O)[O-] +0393_00011 3.211 6137 CSCC[C@@H](C(=O)O)N +0393_00012 3.339 938 C1=CC(=CN=C1)C(=O)O C1=CC(=CN=C1)C(=O)O +0393_00013 4.199 1174 C1=CNC(=O)NC1=O C1=CNC(=O)NC1=O +0393_00014 4.31 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0393_00015 4.67 6306 CC[C@H](C)[C@@H](C(=O)O)N +0393_00016 5.019 6106 CC(C)C[C@@H](C(=O)O)N +0393_00017 5.245 60961 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N +0393_00018 7.093 237332 C1=C(OC(=C1)C=O)CO C1=C(OC(=C1)C=O)CO +0393_00019 7.217 6140 C1=CC=C(C=C1)C[C@@H](C(=O)O)N +0393_00020 7.742 72 C1=CC(=C(C=C1C(=O)O)O)O C1=CC(=C(C=C1C(=O)O)O)O +0393_00021 8.987 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +0393_00022 9.704 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +0393_00023 9.871 10742 COC1=CC(=CC(=C1O)OC)C(=O)O COC1=CC(=CC(=C1O)OC)C(=O)O +0393_00024 11.491 445858 COC1=C(C=CC(=C1)/C=C/C(=O)O)O +0393_00025 11.56 5280805 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +0393_00026 13.865 107848 COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O +0393_00027 17.606 5318267 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O +0393_00028 18.203 5280704 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O +0393_00029 21.561 442813 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +0393_00030 22.726 5283339 CCCC/C=C/C=C/C=O +0393_00031 23.61 5280448 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O +0393_00032 30.088 155948 CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C +0393_00033 32.164 13943297 C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O diff --git a/raw_data/0393/0393_rtdata.tsv.old b/raw_data/0393/0393_rtdata.tsv.old new file mode 100644 index 000000000..152b849eb --- /dev/null +++ b/raw_data/0393/0393_rtdata.tsv.old @@ -0,0 +1,34 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +1.875 draft_24735_00001 5962 C(CCN)C[C@@H](C(=O)O)N +2.053 draft_24735_00002 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +2.077 draft_24735_00003 305 C[N+](C)(C)CCO +2.108 draft_24735_00004 6267 C([C@@H](C(=O)O)N)C(=O)N +2.12 draft_24735_00005 6288 C[C@H]([C@@H](C(=O)O)N)O +2.212 draft_24735_00006 5570 C[N+]1=CC=CC(=C1)C(=O)[O-] +2.401 draft_24735_00007 5988 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O +2.536 draft_24735_00008 439242 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O +2.732 draft_24735_00009 190 C1=NC2=NC=NC(=C2N1)N +2.799 draft_24735_00010 247 C[N+](C)(C)CC(=O)[O-] +3.211 draft_24735_00011 6137 CSCC[C@@H](C(=O)O)N +3.339 draft_24735_00012 938 C1=CC(=CN=C1)C(=O)O +4.199 draft_24735_00013 1174 C1=CNC(=O)NC1=O +4.31 draft_24735_00014 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +4.67 draft_24735_00015 6306 CC[C@H](C)[C@@H](C(=O)O)N +5.019 draft_24735_00016 6106 CC(C)C[C@@H](C(=O)O)N +5.245 draft_24735_00017 60961 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N +7.093 draft_24735_00018 237332 C1=C(OC(=C1)C=O)CO +7.217 draft_24735_00019 6140 C1=CC=C(C=C1)C[C@@H](C(=O)O)N +7.742 draft_24735_00020 72 C1=CC(=C(C=C1C(=O)O)O)O +8.987 draft_24735_00021 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +9.704 draft_24735_00022 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +9.871 draft_24735_00023 10742 COC1=CC(=CC(=C1O)OC)C(=O)O +11.491 draft_24735_00024 445858 COC1=C(C=CC(=C1)/C=C/C(=O)O)O +11.56 draft_24735_00025 5280805 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +13.865 draft_24735_00026 107848 COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O +17.606 draft_24735_00027 5318267 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O +18.203 draft_24735_00028 5280704 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O +21.561 draft_24735_00029 442813 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +22.726 draft_24735_00030 5283339 CCCC/C=C/C=C/C=O +23.61 draft_24735_00031 5280448 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O +30.088 draft_24735_00032 155948 CC1=C2C[C@H]3C(=C)CCC[C@@]3(C[C@@]2(OC1=O)O)C +32.164 draft_24735_00033 13943297 C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O diff --git a/raw_data/0394/0394_gradient.tsv b/raw_data/0394/0394_gradient.tsv new file mode 100644 index 000000000..5c68f25c3 --- /dev/null +++ b/raw_data/0394/0394_gradient.tsv @@ -0,0 +1,7 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 95 5 +1.5 0.4 95 5 +12 0.4 5 95 +14 0.4 5 95 +14.01 0.4 0 100 +17 0.4 0 100 diff --git a/raw_data/0394/0394_info.tsv b/raw_data/0394/0394_info.tsv new file mode 100644 index 000000000..dbd5f6b50 --- /dev/null +++ b/raw_data/0394/0394_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0394 PredRet Submitted by Fangyuan Sun ACQUITY_UPLC_HSSC18_QTOF_20min temperature, column id, column length, column particle size diff --git a/raw_data/0394/0394_metadata.tsv b/raw_data/0394/0394_metadata.tsv new file mode 100644 index 000000000..091d32e4f --- /dev/null +++ b/raw_data/0394/0394_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0394 Waters ACQUITY UPLC HSS T3 L1 0.4 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0394/0394_metadata.yaml b/raw_data/0394/0394_metadata.yaml new file mode 100644 index 000000000..0f678bdac --- /dev/null +++ b/raw_data/0394/0394_metadata.yaml @@ -0,0 +1,26 @@ +column: + name: Waters ACQUITY UPLC HSS T3 + flowrate: 0.4 + usp.code: L1 +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0394' diff --git a/raw_data/0394/0394_rtdata.tsv b/raw_data/0394/0394_rtdata.tsv new file mode 100644 index 000000000..dcc47867d --- /dev/null +++ b/raw_data/0394/0394_rtdata.tsv @@ -0,0 +1,184 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0394_00001 0.705625 1146 CN(C)C CN(C)C +0394_00002 0.705625 6363 CC(C)N CC(C)N +0394_00003 0.705625 153915136 CCCN CCCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN +0394_00004 0.705966667 305 C[N+](C)(C)CCO C[N+](C)(C)CCO +0394_00005 0.711033333 153 C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N +0394_00006 0.74995 10917 C[N+](C)(C)CC(CC(=O)[O-])O +0394_00007 0.750033333 22237905 CCCCC(CCOC)S CCCCC(CCOC)S +0394_00008 0.7551 4480898 C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O +0394_00009 0.7551 131752770 CC(/C=C/CC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O +0394_00010 0.7551 131753165 COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(CO2)O)O)O COC1=C(C=CC(=C1)CCCO)OC(CO)COC2C(C(C(CO2)O)O)O +0394_00011 0.7611 135437 C[N+](C)(C)CCOP(=O)(O)[O-] C[N+](C)(C)CCOP(=O)(O)[O-] +0394_00012 0.7611 657272 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O +0394_00013 0.766275 110968 CCCCC(CC)CS CCCCC(CC)CS +0394_00014 0.766275 139805199 CCCCSCCCC C(CCSCCCC(=O)O)CSCCCC(=O)O +0394_00015 0.771741667 227939 CCCCCC(C(=O)O)N CCCCCC(C(=O)O)N +0394_00016 0.771741667 725 C[N+](C)(C)CCCC(=O)[O-] C[N+](C)(C)CCCC(=O)[O-] +0394_00017 0.771741667 187 CC(=O)OCC[N+](C)(C)C CC(=O)OCC[N+](C)(C)C 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CC1=C[C@@H]([C@H](CC1)C(C)C)C2=C(C(=C(C(=C2O)C(=O)CCC3=CC=CC=C3)O)[C@H]4C=C(CC[C@@H]4C(C)C)C)O +11.83286667 draft_01362_00172 1027 CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C +11.83286667 draft_01362_00173 249866 CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O +11.83286667 draft_01362_00174 440699 CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C +12.06476667 draft_01362_00175 131823287 CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O +12.18168333 draft_01362_00176 3910 CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C +13.0368 draft_01362_00177 52927230 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCC +13.091575 draft_01362_00178 131751417 CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)OC)C)C)C2C1)C)C(=O)OC)C +13.8534 draft_01362_00179 52926611 CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O +13.8534 draft_01362_00180 52926637 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O +13.8534 draft_01362_00181 52927166 CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC +13.8534 draft_01362_00182 52927171 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC +13.8534 draft_01362_00183 52927236 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC diff --git a/raw_data/0395/0395_gradient.tsv b/raw_data/0395/0395_gradient.tsv new file mode 100644 index 000000000..e9541d368 --- /dev/null +++ b/raw_data/0395/0395_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 98 2 +15 0.2 5 95 +16 0.2 5 95 diff --git a/raw_data/0395/0395_info.tsv b/raw_data/0395/0395_info.tsv new file mode 100644 index 000000000..8512ea0cc --- /dev/null +++ b/raw_data/0395/0395_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0395 Dr. Xiaozhuo Chen ST001610 Submitted from Fangyuan Sun. diff --git a/raw_data/0395/0395_metadata.tsv b/raw_data/0395/0395_metadata.tsv new file mode 100644 index 000000000..0dc7b457b --- /dev/null +++ b/raw_data/0395/0395_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0395 Agilent InfinityLab Poroshell 120 SB-C18 L1 100.0 2.1 2.7 40.0 0.2 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.0 2.0 0 0 5.0 95.0 0 0 % % % % diff --git a/raw_data/0395/0395_metadata.yaml b/raw_data/0395/0395_metadata.yaml new file mode 100644 index 000000000..a28f32fdb --- /dev/null +++ b/raw_data/0395/0395_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Agilent InfinityLab Poroshell 120 SB-C18 + id: 2.1 + temperature: 40 + flowrate: 0.2 + usp.code: L1 + length: 100 + particle.size: '2.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0395' diff --git a/raw_data/0395/0395_rtdata.tsv b/raw_data/0395/0395_rtdata.tsv new file mode 100644 index 000000000..f2fcd179a --- /dev/null +++ b/raw_data/0395/0395_rtdata.tsv @@ -0,0 +1,68 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0395_00001 1.092416667 93072 C([C@@H](C(=O)O)NC(=O)N)C(=O)O +0395_00002 1.092416667 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0395_00003 1.135783333 5962 C(CCN)C[C@@H](C(=O)O)N +0395_00004 1.171483333 65070 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CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O +15.62601667 draft_23062_00067 11953816 CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C diff --git a/raw_data/0396/0396_gradient.tsv b/raw_data/0396/0396_gradient.tsv new file mode 100644 index 000000000..e40ecef1a --- /dev/null +++ b/raw_data/0396/0396_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0.5 0.3 95 5 +3.5 0.3 80 20 +5.5 0.3 75 25 +7 0.3 43 57 +8 0.3 10 90 diff --git a/raw_data/0396/0396_info.tsv b/raw_data/0396/0396_info.tsv new file mode 100644 index 000000000..cea59cbcc --- /dev/null +++ b/raw_data/0396/0396_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0396 10.1016/j.chroma.2013.03.006 Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan ROASMI_55 diff --git a/raw_data/0396/0396_metadata.tsv b/raw_data/0396/0396_metadata.tsv new file mode 100644 index 000000000..50d6ad9bb --- /dev/null +++ b/raw_data/0396/0396_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0396 Waters ACQUITY UPLC BEH C18 L1 50.0 2.1 1.7 30.0 0.3 100 0 0 0 0 0 0 0 0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 10.0 90.0 0 0 % % % % diff --git a/raw_data/0396/0396_metadata.yaml b/raw_data/0396/0396_metadata.yaml new file mode 100644 index 000000000..fec642ce5 --- /dev/null +++ b/raw_data/0396/0396_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 30 + flowrate: 0.3 + usp.code: L1 + length: 50 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + formic: + value: 0.3 + unit: '%' + acn: + value: 0 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + formic: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' +id: '0396' diff --git a/raw_data/0396/0396_rtdata.tsv b/raw_data/0396/0396_rtdata.tsv new file mode 100644 index 000000000..e07f1a847 --- /dev/null +++ b/raw_data/0396/0396_rtdata.tsv @@ -0,0 +1,125 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0396_00001 0.58 17513 C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N +0396_00002 0.65 9701 CC(C(C1=CC=C(C=C1)O)O)NC CC(C(C1=CC=C(C=C1)O)O)NC +0396_00003 0.67 75994 C1CN(CCN1)CC2=CC=CC=C2 C1CN(CCN1)CC2=CC=CC=C2 +0396_00004 0.92 3306 CCNCC(C1=CC(=CC=C1)O)O CCNCC(C1=CC(=CC=C1)O)O +0396_00005 1.1 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +0396_00006 1.17 12234986 C[C@H](CC1=CC=C(C=C1)O)N +0396_00007 1.21 5284604 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O +0396_00008 1.24 4655 CC(CC1=CC=C(C=C1)O)NC CC(CC1=CC=C(C=C1)O)NC +0396_00009 1.29 3590 CC(CCCC(C)(C)O)N CC(CCCC(C)(C)O)N +0396_00010 1.43 3086576 CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O +0396_00011 1.44 5403 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O +0396_00012 1.45 2083 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O +0396_00013 1.48 5284570 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4 +0396_00014 1.58 5253 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O +0396_00015 1.62 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0396_00016 1.7 441457 C[C@@H]([C@H](C1=CC=CC=C1)O)N +0396_00017 1.78 1986 CC(=O)NC1=NN=C(S1)S(=O)(=O)N CC(=O)NC1=NN=C(S1)S(=O)(=O)N +0396_00018 1.84 10275 C1=CC=C(C=C1)C2=C(N=C(S2)N)N +0396_00019 2.0 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +0396_00020 2.0 7028 C[C@@H]([C@H](C1=CC=CC=C1)O)NC +0396_00021 2.02 5497 CCN(CC)C(=O)C1=CN=CC=C1 +0396_00022 2.15 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0396_00023 2.2 2145 CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N +0396_00024 2.2 64782 C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C +0396_00025 2.23 3343 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O +0396_00026 2.37 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0396_00027 2.4 5917 C1CCC2=NN=NN2CC1 C1CCC2=NN=NN2CC1 +0396_00028 2.47 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +0396_00029 2.5 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0396_00030 2.51 4762 CC1C(OCCN1)C2=CC=CC=C2 CC1C(OCCN1)C2=CC=CC=C2 +0396_00031 2.55 30487 C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2 +0396_00032 2.57 22276 CC(CNC)C1=CC=CC=C1 CC(CNC)C1=CC=CC=C1 +0396_00033 2.59 10836 C[C@@H](CC1=CC=CC=C1)NC +0396_00034 2.65 2583 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O +0396_00035 2.7 4723 C1=CC=C(C=C1)C2C(=O)N=C(O2)N +0396_00036 2.73 7029 CCN(CC)C(C)C(=O)C1=CC=CC=C1 CCN(CC)C(C)C(=O)C1=CC=CC=C1 +0396_00037 2.73 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0396_00038 2.74 4828 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O CC(C)NCC(COC1=CC=CC2=C1C=CN2)O +0396_00039 2.76 20006 CC(CC1=CC=CC=C1)N(C)C CC(CC1=CC=CC=C1)N(C)C +0396_00040 2.77 61810 CC(CC1=CC=CC=C1)NCCC#N CC(CC1=CC=CC=C1)NCCC#N +0396_00041 2.81 39147 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O +0396_00042 2.87 7753 CCC(C)CC(C)N CCC(C)CC(C)N +0396_00043 2.91 4771 CC(C)(CC1=CC=CC=C1)N CC(C)(CC1=CC=CC=C1)N +0396_00044 3.0 5546 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N +0396_00045 3.01 441071 C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 +0396_00046 3.14 3677 CC(C)(CC1=CC=CC=C1)NC +0396_00047 3.17 5603 CCCCCC(C)N +0396_00048 3.25 115808 CC1=CC=CC=C1CC(C)N CC1=CC=CC=C1CC(C)N +0396_00049 3.25 86863 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O +0396_00050 3.3 4117 CC(CC1=CC=CC=C1OC)NC +0396_00051 3.31 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +0396_00052 3.38 26757 C[C@H](CC1=CC=CC=C1)N(C)CC#C +0396_00053 3.45 199116 CC1=CC=C(C=C1)CC(C)N CC1=CC=C(C=C1)CC(C)N +0396_00054 3.6 22297 CC(CCC=C(C)C)NC CC(CCC=C(C)C)NC +0396_00055 3.62 33624 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O +0396_00056 3.71 1978 CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C +0396_00057 3.81 4171 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O CC(C)NCC(COC1=CC=C(C=C1)CCOC)O +0396_00058 3.86 132441 C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2 C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2 +0396_00059 3.9 4158 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 COC(=O)C(C1CCCCN1)C2=CC=CC=C2 +0396_00060 3.94 3410 CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O +0396_00061 4.0 3914 CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O +0396_00062 4.01 19527 CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C +0396_00063 4.31 59768 CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O +0396_00064 4.4 7558 CC(CC1CCCCC1)NC +0396_00065 4.43 4058 CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 +0396_00066 4.46 2663 CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C +0396_00067 4.46 26762 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2 +0396_00068 4.55 5368010 CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C +0396_00069 4.59 54766 CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O +0396_00070 4.66 4631 CC(C)NCC(COC1=CC=CC=C1OCC=C)O CC(C)NCC(COC1=CC=CC=C1OCC=C)O +0396_00071 4.75 10083 C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O +0396_00072 4.76 6328253 C1=CC=C2C(=C1)C=CC=C2OCC(C/C(=N/O)/N)O +0396_00073 4.77 9363 CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC +0396_00074 4.84 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6.01 3345 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 +0396_00088 6.02 41781 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C +0396_00089 6.11 2369 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O +0396_00090 6.12 5865 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C +0396_00091 6.15 5755 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O +0396_00092 6.23 5754 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O +0396_00093 6.31 222786 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +0396_00094 6.48 3326 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 +0396_00095 6.55 644073 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O +0396_00096 6.56 13769 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C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C([C@@H]4O)NN=C5)C +6.75 draft_25135_00101 443872 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC +6.78 draft_25135_00102 6741 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O +6.81 draft_25135_00103 2585 COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O +6.91 draft_25135_00104 2187 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N +6.95 draft_25135_00105 44112 CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3 +6.97 draft_25135_00106 92943 C[C@H](CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 +6.98 draft_25135_00107 5311066 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O +7.03 draft_25135_00108 4095 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 +7.12 draft_25135_00109 261000 C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O +7.12 draft_25135_00110 5152 C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O +7.17 draft_25135_00111 20395 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 +7.2 draft_25135_00112 189821 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C +7.25 draft_25135_00113 9551611 CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=CC=C3)\[O-] +7.46 draft_25135_00114 5281004 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C +7.47 draft_25135_00115 27812 CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O +7.49 draft_25135_00116 2471 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 +7.51 draft_25135_00117 444008 C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O +7.56 draft_25135_00118 4911 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O +7.59 draft_25135_00119 122335 CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C +7.63 draft_25135_00120 13789 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C +7.76 draft_25135_00121 2733526 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 +7.79 draft_25135_00122 6857686 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O +7.8 draft_25135_00123 28615 CC(CC1=CC=CC=C1)NC(C#N)C2=CC=CC=C2 +8.13 draft_25135_00124 28417 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 diff --git a/raw_data/0397/0397_gradient.tsv b/raw_data/0397/0397_gradient.tsv new file mode 100644 index 000000000..68a534a12 --- /dev/null +++ b/raw_data/0397/0397_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.46 95 5 +30 0.46 5 95 +40 0.46 5 95 diff --git a/raw_data/0397/0397_info.tsv b/raw_data/0397/0397_info.tsv new file mode 100644 index 000000000..aef9951c3 --- /dev/null +++ b/raw_data/0397/0397_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0397 10.1016/j.phytochem.2014.10.005 Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt ROASMI_68 diff --git a/raw_data/0397/0397_metadata.tsv b/raw_data/0397/0397_metadata.tsv new file mode 100644 index 000000000..1ddb9e261 --- /dev/null +++ b/raw_data/0397/0397_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0397 Waters ACQUITY UPLC BEH C18 L1 150.0 2.1 1.7 40.0 0.46 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 5.0 95.0 0 0 % % % % diff --git a/raw_data/0397/0397_metadata.yaml b/raw_data/0397/0397_metadata.yaml new file mode 100644 index 000000000..13dc1701d --- /dev/null +++ b/raw_data/0397/0397_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + flowrate: 0.46 + usp.code: L1 + length: 150 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' + acn: + value: 0 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + acn: + value: 100 + unit: '%' +id: '0397' diff --git a/raw_data/0397/0397_rtdata.tsv b/raw_data/0397/0397_rtdata.tsv new file mode 100644 index 000000000..2a69e1dff --- /dev/null +++ b/raw_data/0397/0397_rtdata.tsv @@ -0,0 +1,256 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0397_00001 2.13 72 C1=CC(=C(C=C1C(=O)O)O)O +0397_00002 2.61 5281417 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O +0397_00003 2.7 72277 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O +0397_00004 2.95 44584241 C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]2[C@@H]([C@](C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O +0397_00005 2.96 135 C1=CC(=CC=C1C(=O)O)O +0397_00006 3.08 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +0397_00007 3.1 9064 C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O +0397_00008 3.11 73160 C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O +0397_00009 3.48 1017 C1=CC=C(C(=C1)C(=O)O)C(=O)O +0397_00010 3.54 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O +0397_00011 3.54 442435 C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O +0397_00012 3.57 122738 C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O +0397_00013 3.58 8468 COC1=C(C=CC(=C1)C(=O)O)O +0397_00014 3.67 5273568 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C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 +0397_00216 18.11 10208 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O +0397_00217 18.14 119245 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 +0397_00218 18.27 114917 CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C +0397_00219 18.34 160254 C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C +0397_00220 18.37 54676038 C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O +0397_00221 18.37 623342 C1=CC=C(C=C1)C2=CC(=O)C3=CC4=CC=CC=C4C=C3O2 +0397_00222 18.89 73299 C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O +0397_00223 19.2 73309 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O +0397_00224 19.52 6440940 C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O +0397_00225 19.53 10639 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC +0397_00226 20.15 168115 CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O +0397_00227 20.27 94183 C1=CC2=C3C(=C1)C(=O)C4=C5C3=C(C=C2)C(=O)C6=CC=CC(=C65)C=C4 +0397_00228 20.39 10114 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O +0397_00229 20.45 11827970 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1 +0397_00230 20.77 164676 CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C +0397_00231 20.91 441893 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1 +0397_00232 20.99 68066 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O +0397_00233 21.03 5317564 CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C +0397_00234 21.12 362046 CC1=CC(=CC2=C1CC=C3C(=C2)C(=O)C(=O)C(=C3O)C(C)C)OC +0397_00235 22.48 5471349 CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C +0397_00236 22.83 3218 CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O +0397_00237 23.28 3515 CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C +0397_00238 23.35 64971 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O +0397_00239 23.82 10494 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O +0397_00240 23.96 64945 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O +0397_00241 24.5 16078 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O +0397_00242 24.77 71587307 C/C=C\C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O +0397_00243 25.37 92802 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO +0397_00244 26.06 5997 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C +0397_00245 26.14 12444628 CCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC=C1)O)O +0397_00246 26.36 441900 C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 +0397_00247 26.46 99474 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 +0397_00248 27.49 91439 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 +0397_00249 27.54 92095 C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 +0397_00250 27.69 161306 CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O +0397_00251 28.03 5281858 CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O +0397_00252 29.14 441298 CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C +0397_00253 29.97 5469634 CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O +0397_00254 32.78 73170 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C +0397_00255 33.82 259846 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C diff --git a/raw_data/0398/0398_gradient.tsv b/raw_data/0398/0398_gradient.tsv new file mode 100644 index 000000000..fe1a2a1cf --- /dev/null +++ b/raw_data/0398/0398_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.04 100 0 +17 0.04 41.3 58.7 +17.2 0.04 0 100 +20.2 0.04 0 100 diff --git a/raw_data/0398/0398_info.tsv b/raw_data/0398/0398_info.tsv new file mode 100644 index 000000000..c5eee1da6 --- /dev/null +++ b/raw_data/0398/0398_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0398 10.1016/j.chroma.2011.01.060 Submitted by Fangyuan Sun David R. Baker a, Barbara Kasprzyk-Hordern ROASMI_19 diff --git a/raw_data/0398/0398_metadata.tsv b/raw_data/0398/0398_metadata.tsv new file mode 100644 index 000000000..e0bd717a5 --- /dev/null +++ b/raw_data/0398/0398_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0398 Waters XBridge BEH C18 L1 150.0 1.0 1.7 30.0 0.04 79.7 20 0 0 0 0 0 0 0 0.0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.7 0 0 0 0 0 0 0 0.0 0.3 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0 0.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0398/0398_metadata.yaml b/raw_data/0398/0398_metadata.yaml new file mode 100644 index 000000000..ee43d83f8 --- /dev/null +++ b/raw_data/0398/0398_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters XBridge BEH C18 + id: 1 + temperature: 30 + flowrate: 0.04 + usp.code: L1 + length: 150 + particle.size: '1.7' +eluent: + A: + h2o: + value: 79.7 + unit: '%' + meoh: + value: 20 + unit: '%' + acetic: + value: 0.3 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 99.7 + unit: '%' + acetic: + value: 0.3 + unit: '%' +id: '0398' diff --git a/raw_data/0398/0398_rtdata.tsv b/raw_data/0398/0398_rtdata.tsv new file mode 100644 index 000000000..19ecfee4e --- /dev/null +++ b/raw_data/0398/0398_rtdata.tsv @@ -0,0 +1,51 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0398_00001 3.0 11564684 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)O +0398_00002 3.3 89594 CN1CCC[C@H]1C2=CN=CC=C2 +0398_00003 3.5 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +0398_00004 3.5 5462508 C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O +0398_00005 3.6 119478 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC +0398_00006 3.6 5284604 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O +0398_00007 3.6 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +0398_00008 4.3 75994 C1CN(CCN1)CC2=CC=CC=C2 C1CN(CCN1)CC2=CC=CC=C2 +0398_00009 4.6 5284543 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O +0398_00010 4.8 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0398_00011 5.1 9925873 COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1 +0398_00012 5.2 26934 C[C@H]([C@H](C1=CC=CC=C1)O)N +0398_00013 5.4 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +0398_00014 5.6 1576 CC(C(=O)C1=CC=CC=C1)NC CC(C(=O)C1=CC=CC=C1)NC +0398_00015 5.9 7028 C[C@@H]([C@H](C1=CC=CC=C1)O)NC +0398_00016 5.9 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +0398_00017 6.1 4687 CN1C=NC2=C1C(=O)N(C(=O)N2)C CN1C=NC2=C1C(=O)N(C(=O)N2)C +0398_00018 6.2 78641 C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3 C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3 +0398_00019 6.4 5462507 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C +0398_00020 7.0 4076 COC1=CC(=CC(=C1OC)OC)CCN COC1=CC(=CC(=C1OC)OC)CCN +0398_00021 7.5 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0398_00022 7.9 10836 C[C@@H](CC1=CC=CC=C1)NC +0398_00023 8.1 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0398_00024 8.3 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0398_00025 9.0 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C CN1C=NC2=C1C(=O)N(C(=O)N2C)C +0398_00026 9.4 105039 CCNC(C)CC1=CC2=C(C=C1)OCO2 CCNC(C)CC1=CC2=C(C=C1)OCO2 +0398_00027 10.3 124844 CCC(CC1=CC2=C(C=C1)OCO2)NC CCC(CC1=CC2=C(C=C1)OCO2)NC +0398_00028 10.3 129870 CCC(CC1=CC2=C(C=C1)OCO2)N CCC(CC1=CC2=C(C=C1)OCO2)N +0398_00029 10.7 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +0398_00030 11.0 259381 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 +0398_00031 11.4 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +0398_00032 11.4 5462328 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C +0398_00033 11.8 446220 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC +0398_00034 12.5 12149038 CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +0398_00035 12.8 644007 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3 +0398_00036 13.8 5761 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C +0398_00037 13.9 644006 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 +0398_00038 14.7 6468 C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 +0398_00039 15.2 114976 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O +0398_00040 15.3 3345 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 +0398_00041 15.4 5656 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +0398_00042 16.7 28292 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 +0398_00043 17.3 644073 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O +0398_00044 18.8 135398744 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C +0398_00045 19.2 5282426 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31 +0398_00046 19.6 10100 CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C +0398_00047 19.8 4506 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 +0398_00048 20.1 18804 CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC +0398_00049 20.2 4095 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 +0398_00050 20.2 6292 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C diff --git a/raw_data/0398/0398_rtdata.tsv.old b/raw_data/0398/0398_rtdata.tsv.old new file mode 100644 index 000000000..9a5453c18 --- /dev/null +++ b/raw_data/0398/0398_rtdata.tsv.old @@ -0,0 +1,51 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +3 draft_43009_00001 11564684 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)O +3.3 draft_43009_00002 89594 CN1CCC[C@H]1C2=CN=CC=C2 +3.5 draft_43009_00003 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +3.5 draft_43009_00004 5462508 C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O +3.6 draft_43009_00005 119478 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC +3.6 draft_43009_00006 5284604 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O +3.6 draft_43009_00007 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +4.3 draft_43009_00008 75994 C1CN(CCN1)CC2=CC=CC=C2 +4.6 draft_43009_00009 5284543 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O +4.8 draft_43009_00010 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +5.1 draft_43009_00011 9925873 COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1 +5.2 draft_43009_00012 26934 C[C@H]([C@H](C1=CC=CC=C1)O)N +5.4 draft_43009_00013 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +5.6 draft_43009_00014 1576 CC(C(=O)C1=CC=CC=C1)NC +5.9 draft_43009_00015 7028 C[C@@H]([C@H](C1=CC=CC=C1)O)NC +5.9 draft_43009_00016 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +6.1 draft_43009_00017 4687 CN1C=NC2=C1C(=O)N(C(=O)N2)C +6.2 draft_43009_00018 78641 C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3 +6.4 draft_43009_00019 5462507 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C +7 draft_43009_00020 4076 COC1=CC(=CC(=C1OC)OC)CCN +7.5 draft_43009_00021 3007 CC(CC1=CC=CC=C1)N +7.9 draft_43009_00022 10836 C[C@@H](CC1=CC=CC=C1)NC +8.1 draft_43009_00023 1614 CC(CC1=CC2=C(C=C1)OCO2)N +8.3 draft_43009_00024 1615 CC(CC1=CC2=C(C=C1)OCO2)NC +9 draft_43009_00025 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C +9.4 draft_43009_00026 105039 CCNC(C)CC1=CC2=C(C=C1)OCO2 +10.3 draft_43009_00027 124844 CCC(CC1=CC2=C(C=C1)OCO2)NC +10.3 draft_43009_00028 129870 CCC(CC1=CC2=C(C=C1)OCO2)N +10.7 draft_43009_00029 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +11 draft_43009_00030 259381 CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 +11.4 draft_43009_00031 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +11.4 draft_43009_00032 5462328 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C +11.8 draft_43009_00033 446220 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC +12.5 draft_43009_00034 12149038 CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +12.8 draft_43009_00035 644007 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3 +13.8 draft_43009_00036 5761 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C +13.9 draft_43009_00037 644006 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 +14.7 draft_43009_00038 6468 C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 +15.2 draft_43009_00039 114976 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O +15.3 draft_43009_00040 3345 CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 +15.4 draft_43009_00041 5656 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +16.7 draft_43009_00042 28292 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 +17.3 draft_43009_00043 644073 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O +18.8 draft_43009_00044 135398744 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C +19.2 draft_43009_00045 5282426 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31 +19.6 draft_43009_00046 10100 CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C +19.8 draft_43009_00047 4506 C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 +20.1 draft_43009_00048 18804 CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CNC +20.2 draft_43009_00049 4095 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 +20.2 draft_43009_00050 6292 CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C diff --git a/raw_data/0399/0399_gradient.tsv b/raw_data/0399/0399_gradient.tsv new file mode 100644 index 000000000..4b3b6f19d --- /dev/null +++ b/raw_data/0399/0399_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 90 10 +14 0.3 10 90 +16 0.3 10 90 diff --git a/raw_data/0399/0399_info.tsv b/raw_data/0399/0399_info.tsv new file mode 100644 index 000000000..ef5f8012c --- /dev/null +++ b/raw_data/0399/0399_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0399 10.1016/j.chroma.2012.12.030 Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández ROASMI_52 diff --git a/raw_data/0399/0399_metadata.tsv b/raw_data/0399/0399_metadata.tsv new file mode 100644 index 000000000..a88c49d45 --- /dev/null +++ b/raw_data/0399/0399_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0399 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 60.0 0.3 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 10.0 90.0 0 0 % % % % diff --git a/raw_data/0399/0399_metadata.yaml b/raw_data/0399/0399_metadata.yaml new file mode 100644 index 000000000..19043884d --- /dev/null +++ b/raw_data/0399/0399_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 60 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + formic: + value: 0.01 + unit: '%' + meoh: + value: 0 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + formic: + value: 0.01 + unit: '%' + meoh: + value: 100 + unit: '%' +id: '0399' diff --git a/raw_data/0399/0399_rtdata.tsv b/raw_data/0399/0399_rtdata.tsv new file mode 100644 index 000000000..8b442b2ff --- /dev/null +++ b/raw_data/0399/0399_rtdata.tsv @@ -0,0 +1,102 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0399_00001 2.05 1983 CC(=O)NC1=CC=C(C=C1)O CC(=O)NC1=CC=C(C=C1)O +0399_00002 2.09 5215 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0399_00003 2.26 1576 CC(C(=O)C1=CC=CC=C1)NC CC(C(=O)C1=CC=CC=C1)NC +0399_00004 2.64 5353635 C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-] +0399_00005 2.7 4831 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O +0399_00006 2.8 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0399_00007 2.83 40024 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO +0399_00008 2.83 135408659 CCNC1=NC(=NC(=O)N1)NCC CCNC1=NC(=NC(=O)N1)NCC +0399_00009 2.96 5353636 C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] +0399_00010 2.97 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0399_00011 3.02 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0399_00012 3.05 10836 C[C@@H](CC1=CC=CC=C1)NC +0399_00013 3.09 5360521 C/C(=N\OC(=O)NC)/SC +0399_00014 3.13 3000540 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O +0399_00015 3.15 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0399_00016 3.19 622973 CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)N)O CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)N)O +0399_00017 3.44 135398745 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C +0399_00018 3.48 105039 CCNC(C)CC1=CC2=C(C=C1)OCO2 CCNC(C)CC1=CC2=C(C=C1)OCO2 +0399_00019 3.48 2151 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N +0399_00020 3.59 5327 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C +0399_00021 3.89 25429 COC(=O)NC1=NC2=CC=CC=C2N1 COC(=O)NC1=NC2=CC=CC=C2N1 +0399_00022 3.91 5329 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N +0399_00023 3.93 135398733 CCNC1=NC(=O)NC(=N1)NC(C)C CCNC1=NC(=O)NC(=N1)NC(C)C +0399_00024 4.08 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +0399_00025 4.3 5289268 C1C[C@@H]2[C@H]([C@H](C[C@H]1[NH2+]2)OC(=O)C3=CC=CC=C3)C(=O)[O-] +0399_00026 4.63 3082 CNC(=O)CSP(=S)(OC)OC CNC(=O)CSP(=S)(OC)OC +0399_00027 4.66 446220 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC +0399_00028 4.8 5430 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 +0399_00029 4.8 338 C1=CC=C(C(=C1)C(=O)O)O C1=CC=C(C(=C1)C(=O)O)O +0399_00030 5.14 644007 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3 +0399_00031 5.25 135495928 CCNC1=NC(=O)NC(=N1)NC(C)(C)C CCNC1=NC(=O)NC(=N1)NC(C)(C)C +0399_00032 5.67 4628 CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O +0399_00033 5.78 644006 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3 +0399_00034 5.92 153829292 COC(=O)C1=CC=C(C=C1)O CC(=O)O[Si](CCCC(COC(=O)C1=CC=C(C=C1)O)O)(C2=CC=CC=C2)OC(=O)C +0399_00035 5.93 2724362 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +0399_00036 6.04 15558498 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O +0399_00037 6.2 447043 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O +0399_00038 6.25 185719 CC(C)(C)NC1=NC(=NC(=N1)N)OC CC(C)(C)NC1=NC(=NC(=N1)N)OC +0399_00039 6.34 5656 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +0399_00040 6.35 14421 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 +0399_00041 6.4 19988 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O +0399_00042 6.4 8571 C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O +0399_00043 6.66 2328 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O +0399_00044 6.76 2724360 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +0399_00045 6.96 5756 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O +0399_00046 7.08 5904 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C +0399_00047 7.1 4421 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O +0399_00048 7.15 186907 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 +0399_00049 7.47 5388962 CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O +0399_00050 7.48 2566 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C +0399_00051 7.54 8434 CCOC(=O)C1=CC=C(C=C1)O CCOC(=O)C1=CC=C(C=C1)O +0399_00052 7.55 4594 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC +0399_00053 7.79 31645 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C +0399_00054 7.81 6129 CNC(=O)OC1=CC=CC2=CC=CC=C21 CNC(=O)OC1=CC=CC2=CC=CC=C21 +0399_00055 8.1 2554 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N +0399_00056 8.19 6196 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O +0399_00057 8.5 12560 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O +0399_00058 8.83 36679 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C CC(C)C1=CC=C(C=C1)NC(=O)N(C)C +0399_00059 8.84 5280440 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC +0399_00060 8.97 7175 CCCOC(=O)C1=CC=C(C=C1)O CCCOC(=O)C1=CC=C(C=C1)O +0399_00061 9.06 13709 COC1=NN(C(=O)S1)CSP(=S)(OC)OC COC1=NN(C(=O)S1)CSP(=S)(OC)OC +0399_00062 9.07 36584 CCNC1=NC(=NC(=N1)OC)NC(C)(C)C CCNC1=NC(=NC(=N1)OC)NC(C)(C)C +0399_00063 9.07 10093830 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C +0399_00064 9.09 42586 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC +0399_00065 9.27 54687 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C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O +0399_00085 10.65 8381 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 +0399_00086 11.01 4004 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC +0399_00087 11.01 2733489 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O +0399_00088 11.1 4632 COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O +0399_00089 11.4 86367 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 +0399_00090 11.46 2268 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 +0399_00091 11.5 11683 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C +0399_00092 11.68 6279 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C +0399_00093 11.77 250948 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C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C +11.77 draft_43009_00093 250948 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C +11.8 draft_43009_00094 3672 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O +11.91 draft_43009_00095 3017 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C +12.03 draft_43009_00096 34526 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C +12.75 draft_43009_00097 3463 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O +13.08 draft_43009_00098 50367 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 +13.37 draft_43009_00099 91753 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 +13.91 draft_43009_00100 108207 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O +14.2 draft_43009_00101 54454 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C diff --git a/raw_data/0400/0400_gradient.tsv b/raw_data/0400/0400_gradient.tsv new file mode 100644 index 000000000..a6d11397d --- /dev/null +++ b/raw_data/0400/0400_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.35 99.5 0.5 +4 0.35 30 70 +4.5 0.35 2 98 +5.4 0.35 2 98 diff --git a/raw_data/0400/0400_info.tsv b/raw_data/0400/0400_info.tsv new file mode 100644 index 000000000..4da5f1797 --- /dev/null +++ b/raw_data/0400/0400_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0400 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_79 diff --git a/raw_data/0400/0400_metadata.tsv b/raw_data/0400/0400_metadata.tsv new file mode 100644 index 000000000..253060297 --- /dev/null +++ b/raw_data/0400/0400_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0400 Waters ACQUITY UPLC HSS C18 L1 100.0 2.1 1.7 40.0 0.35 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2.0 98.0 0 0 % % % % diff --git a/raw_data/0400/0400_metadata.yaml b/raw_data/0400/0400_metadata.yaml new file mode 100644 index 000000000..f1fe93563 --- /dev/null +++ b/raw_data/0400/0400_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC HSS C18 + id: 2.1 + temperature: 40 + flowrate: 0.35 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' + meoh: + value: 0 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + meoh: + value: 100 + unit: '%' +id: '0400' diff --git a/raw_data/0400/0400_rtdata.tsv b/raw_data/0400/0400_rtdata.tsv new file mode 100644 index 000000000..79d6b9971 --- /dev/null +++ b/raw_data/0400/0400_rtdata.tsv @@ -0,0 +1,481 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0400_00001 0.39175434 89594 CN1CCC[C@H]1C2=CN=CC=C2 +0400_00002 0.56130287 1103 C(CCNCCCN)CNCCCN C(CCNCCCN)CNCCCN +0400_00003 0.58307109 5942 C(CN)CNCCCN C(CN)CNCCCN +0400_00004 0.5848956 1102 C(CCNCCCN)CN C(CCNCCCN)CN +0400_00005 0.59349954 916 CC(=O)NCCCNCCCCNCCCN CC(=O)NCCCNCCCCNCCCN +0400_00006 0.62011882 428 C(CN)CN C(CN)CN +0400_00007 0.62026959 774 C1=C(NC=N1)CCN C1=C(NC=N1)CCN +0400_00008 0.62046147 1045 C(CCN)CN C(CCN)CN +0400_00009 0.62432259 273 C(CCN)CCN C(CCN)CCN +0400_00010 0.62758606 69520 CN1C=NC=C1CCN CN1C=NC=C1CCN +0400_00011 0.63316239 165271 C1=C(NC=N1)C[C@@H](CO)N +0400_00012 0.65603564 3032849 C(C[C@@H](C(=O)O)N)[C@H](CN)O +0400_00013 0.65774619 5962 C(CCN)C[C@@H](C(=O)O)N +0400_00014 0.6664916 6262 C(C[C@@H](C(=O)O)N)CN +0400_00015 0.66669279 97328 C([C@@H](C(=O)O)N)N +0400_00016 0.66849276 71082 C(C[C@H](C(=O)O)N)CN +0400_00017 0.68026106 6274 C1=C(NC=N1)C[C@@H](C(=O)O)N +0400_00018 0.68378279 439224 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN +0400_00019 0.68449472 440120 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N +0400_00020 0.68976066 64969 CN1C=NC=C1C[C@@H](C(=O)O)N +0400_00021 0.69173864 24154 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O +0400_00022 0.69434739 439213 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O +0400_00023 0.70121629 440049 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)N)O)O)O +0400_00024 0.70191382 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0400_00025 0.70257312 439283 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N +0400_00026 0.70568252 439498 C([C@@H](C(=O)NCC(=O)O)N)S +0400_00027 0.70925084 8113 C(CO)NCCO C(CO)NCCO +0400_00028 0.71116871 239 C(CN)C(=O)O C(CN)C(=O)O +0400_00029 0.72058824 89034 CS(=N)(=O)CC[C@@H](C(=O)O)N +0400_00030 0.72398495 11163 C(C(=O)NCC(=O)O)N C(C(=O)NCC(=O)O)N +0400_00031 0.72561932 440997 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O +0400_00032 0.72646587 305 C[N+](C)(C)CCO C[N+](C)(C)CCO +0400_00033 0.72664184 339 C(CP(=O)(O)O)N C(CP(=O)(O)O)N +0400_00034 0.72873149 67678 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N +0400_00035 0.72970234 9085 C(CCN=C(N)N)C[C@@H](C(=O)O)N +0400_00036 0.73040674 439258 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N +0400_00037 0.73125804 1052 CC1=NC=C(C(=C1O)CN)CO CC1=NC=C(C(=C1O)CN)CO +0400_00038 0.73134117 5951 C([C@@H](C(=O)O)N)O +0400_00039 0.73203232 73563 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O +0400_00040 0.73436494 1088 CNCC(=O)O CNCC(=O)O +0400_00041 0.73451462 6267 C([C@@H](C(=O)O)N)C(=O)N +0400_00042 0.73552274 72361 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O +0400_00043 0.73711149 1015 C(COP(=O)(O)O)N C(COP(=O)(O)O)N +0400_00044 0.73716645 892 C1(C(C(C(C(C1O)O)O)O)O)O C1(C(C(C(C(C1O)O)O)O)O)O +0400_00045 0.74322807 107812 C(CS(=O)O)N C(CS(=O)O)N +0400_00046 0.74497271 1014 C[N+](C)(C)CCOP(=O)(O)O C[N+](C)(C)CCOP(=O)(O)O +0400_00047 0.74667645 5961 C(CC(=O)N)[C@@H](C(=O)O)N +0400_00048 0.74736427 71080 C[C@H](C(=O)O)N +0400_00049 0.74883929 5960 C([C@@H](C(=O)O)N)C(=O)O +0400_00050 0.74922119 1123 C(CS(=O)(=O)O)N C(CS(=O)(=O)O)N +0400_00051 0.74980548 5950 C[C@@H](C(=O)O)N +0400_00052 0.75106739 440014 C1[C@H](CN[C@H]1C(=O)O)O +0400_00053 0.7529075 99289 C[C@@H]([C@@H](C(=O)O)N)O +0400_00054 0.75347211 12647 C(CO)[C@@H](C(=O)O)N +0400_00055 0.75363786 10917 C[N+](C)(C)C[C@@H](CC(=O)[O-])O +0400_00056 0.75405976 100714 C(C(=O)O)(C(=O)O)N C(C(=O)O)(C(=O)O)N +0400_00057 0.75456374 129316446 [2H]C([2H])([2H])[N+](C[C@@H](CC(=O)[O-])O)(C([2H])([2H])[2H])C([2H])([2H])[2H] +0400_00058 0.75473197 457 C[N+]1=CC=CC(=C1)C(=O)N C[N+]1=CC=CC(=C1)C(=O)N +0400_00059 0.75784069 6288 C[C@H]([C@@H](C(=O)O)N)O +0400_00060 0.75909985 68841 C([C@@H](C(=O)O)N)OP(=O)(O)O +0400_00061 0.75942837 763 C(C(=O)O)N=C(N)N C(C(=O)O)N=C(N)N +0400_00062 0.7609889 119 C(CC(=O)O)CN C(CC(=O)O)CN +0400_00063 0.76245327 1131 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O +0400_00064 0.76251589 5810 C1[C@H](CN[C@@H]1C(=O)O)O +0400_00065 0.76350074 657272 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O +0400_00066 0.76410471 33032 C(CC(=O)O)[C@@H](C(=O)O)N +0400_00067 0.76477635 8761 C(CO)N(CCO)CC(=O)O C(CO)N(CCO)CC(=O)O +0400_00068 0.76556169 9750 C(C[C@@H](C(=O)O)N)CNC(=O)N +0400_00069 0.76586967 1145 C[N+](C)(C)[O-] C[N+](C)(C)[O-] +0400_00070 0.76665264 18950 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O +0400_00071 0.76804547 1549098 C([C@@H](C(=O)O)N)S(=O)O +0400_00072 0.76831813 137 C(CC(=O)O)C(=O)CN C(CC(=O)O)C(=O)CN +0400_00073 0.77004972 673 CN(C)CC(=O)O CN(C)CC(=O)O +0400_00074 0.77005149 588 CN1CC(=O)N=C1N CN1CC(=O)N=C1N +0400_00075 0.77062804 11850 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O +0400_00076 0.77073766 10130220 C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O +0400_00077 0.7719664 22880 CN[C@H](CC(=O)O)C(=O)O +0400_00078 0.77299959 25701 C(C(C(=O)O)N)S(=O)(=O)O C(C(C(=O)O)N)S(=O)(=O)O +0400_00079 0.77609996 10111 CN=C(N)N CN=C(N)N +0400_00080 0.77620726 123912 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O +0400_00081 0.77672716 203 C(C(=O)O)(NC(=O)N)NC(=O)N C(C(=O)O)(NC(=O)N)NC(=O)N +0400_00082 0.77686212 92043367 [2H][C@@]1([C@]([C@@](OC([C@]1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O +0400_00083 0.77783964 439167 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O +0400_00084 0.77944522 535 C1CC1(C(=O)O)N 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CCCCCCCC(=O)NCC(=O)O +5.2458166 draft_43009_00472 10245190 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C +5.2475873 draft_43009_00473 7175 CCCOC(=O)C1=CC=C(C=C1)O +5.2799077 draft_43009_00474 4485 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC +5.2903502 draft_43009_00475 6738 CC1=C(C(=CC=C1)C(=O)O)O +5.3131685 draft_43009_00476 5753 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O +5.3156671 draft_43009_00477 5744 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O +5.3293303 draft_43009_00478 440707 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +5.3521946 draft_43009_00479 11310 CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C +5.3733139 draft_43009_00480 3825 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O diff --git a/raw_data/0401/0401_gradient.tsv b/raw_data/0401/0401_gradient.tsv new file mode 100644 index 000000000..88e608a98 --- /dev/null +++ b/raw_data/0401/0401_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/raw_data/0401/0401_info.tsv b/raw_data/0401/0401_info.tsv new file mode 100644 index 000000000..305331d09 --- /dev/null +++ b/raw_data/0401/0401_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0401 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_80 diff --git a/raw_data/0401/0401_metadata.tsv b/raw_data/0401/0401_metadata.tsv new file mode 100644 index 000000000..10cb053d8 --- /dev/null +++ b/raw_data/0401/0401_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0401 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 0.35 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2.0 98.0 0 0 % % % % diff --git a/raw_data/0401/0401_metadata.yaml b/raw_data/0401/0401_metadata.yaml new file mode 100644 index 000000000..d828825f8 --- /dev/null +++ b/raw_data/0401/0401_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + flowrate: 0.35 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0401' diff --git a/raw_data/0401/0401_rtdata.tsv b/raw_data/0401/0401_rtdata.tsv new file mode 100644 index 000000000..498c93db6 --- /dev/null +++ b/raw_data/0401/0401_rtdata.tsv @@ -0,0 +1,534 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0401_00001 0.581 1103 C(CCNCCCN)CNCCCN C(CCNCCCN)CNCCCN +0401_00002 0.586 5942 C(CN)CNCCCN C(CN)CNCCCN +0401_00003 0.588 1102 C(CCNCCCN)CN C(CCNCCCN)CN +0401_00004 0.596 916 CC(=O)NCCCNCCCCNCCCN CC(=O)NCCCNCCCCNCCCN +0401_00005 0.606 1045 C(CCN)CN C(CCN)CN +0401_00006 0.613 273 C(CCN)CCN C(CCN)CCN +0401_00007 0.613 428 C(CN)CN C(CN)CN +0401_00008 0.613 774 C1=C(NC=N1)CCN C1=C(NC=N1)CCN +0401_00009 0.62 165271 C1=C(NC=N1)C[C@@H](CO)N +0401_00010 0.621 69520 CN1C=NC=C1CCN CN1C=NC=C1CCN +0401_00011 0.628 199 C(CCN=C(N)N)CN +0401_00012 0.649 1029 C(CC(C(=O)O)N)C(CN)O +0401_00013 0.649 3032849 C(C[C@@H](C(=O)O)N)[C@H](CN)O +0401_00014 0.65 5962 C(CCN)C[C@@H](C(=O)O)N +0401_00015 0.653 6262 C(C[C@@H](C(=O)O)N)CN +0401_00016 0.653 71082 C(C[C@H](C(=O)O)N)CN +0401_00017 0.662 440120 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N +0401_00018 0.663 97328 C([C@@H](C(=O)O)N)N +0401_00019 0.668 6274 C1=C(NC=N1)C[C@@H](C(=O)O)N +0401_00020 0.673 439224 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN +0401_00021 0.676 64969 CN1C=NC=C1C[C@@H](C(=O)O)N +0401_00022 0.676 439213 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O +0401_00023 0.676 24154 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O +0401_00024 0.676 440049 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)N)O)O)O +0401_00025 0.679 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0401_00026 0.686 8113 C(CO)NCCO C(CO)NCCO +0401_00027 0.686 439283 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N +0401_00028 0.686 439498 C([C@@H](C(=O)NCC(=O)O)N)S +0401_00029 0.687 11163 C(C(=O)NCC(=O)O)N C(C(=O)NCC(=O)O)N +0401_00030 0.69 9085 C(CCN=C(N)N)C[C@@H](C(=O)O)N +0401_00031 0.695 1052 CC1=NC=C(C(=C1O)CN)CO CC1=NC=C(C(=C1O)CN)CO +0401_00032 0.702 439258 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N +0401_00033 0.703 440997 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O +0401_00034 0.705 5951 C([C@@H](C(=O)O)N)O +0401_00035 0.705 305 C[N+](C)(C)CCO +0401_00036 0.705888889 129316446 [2H]C([2H])([2H])[N+](C[C@@H](CC(=O)[O-])O)(C([2H])([2H])[2H])C([2H])([2H])[2H] +0401_00037 0.707 1145 C[N+](C)(C)[O-] C[N+](C)(C)[O-] +0401_00038 0.712 6267 C([C@@H](C(=O)O)N)C(=O)N +0401_00039 0.713 89034 CS(=N)(=O)CC[C@@H](C(=O)O)N +0401_00040 0.717 1015 C(COP(=O)(O)O)N C(COP(=O)(O)O)N +0401_00041 0.717 67678 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N +0401_00042 0.718 1123 C(CS(=O)(=O)O)N C(CS(=O)(=O)O)N +0401_00043 0.718 73563 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O +0401_00044 0.72 239 C(CN)C(=O)O C(CN)C(=O)O +0401_00045 0.72 339 C(CP(=O)(O)O)N C(CP(=O)(O)O)N +0401_00046 0.72 1088 CNCC(=O)O +0401_00047 0.72 5950 C[C@@H](C(=O)O)N +0401_00048 0.72 71080 C[C@H](C(=O)O)N +0401_00049 0.72 457 C[N+]1=CC=CC(=C1)C(=O)N C[N+]1=CC=CC(=C1)C(=O)N +0401_00050 0.721 72361 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OS(=O)(=O)O +0401_00051 0.722 119 C(CC(=O)O)CN C(CC(=O)O)CN +0401_00052 0.722 10111 CN=C(N)N CN=C(N)N +0401_00053 0.723 10917 C[N+](C)(C)C[C@@H](CC(=O)[O-])O +0401_00054 0.724 5961 C(CC(=O)N)[C@@H](C(=O)O)N +0401_00055 0.726 5960 C([C@@H](C(=O)O)N)C(=O)O +0401_00056 0.726 83887 C([C@H](C(=O)O)N)C(=O)O +0401_00057 0.732 763 C(C(=O)O)N=C(N)N +0401_00058 0.732 6288 C[C@H]([C@@H](C(=O)O)N)O +0401_00059 0.732 12647 C(CO)[C@@H](C(=O)O)N +0401_00060 0.732 99289 C[C@@H]([C@@H](C(=O)O)N)O 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CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC +4.177 draft_52580_00457 3100 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 +4.197 draft_52580_00458 19844 COC1=C(C=CC(=C1)C(=O)OC)O +4.227 draft_52580_00459 2337 CCOC(=O)C1=CC=C(C=C1)N +4.227 draft_52580_00460 4054 CC12CC3CC(C1)(CC(C3)(C2)N)C +4.23 draft_52580_00461 150923 CC1C2=CC=CC=C2NC1=O +4.245 draft_52580_00462 65028 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC +4.245 draft_52580_00463 493591 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O +4.256 draft_52580_00464 135400189 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C +4.259 draft_52580_00465 667468 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31 +4.275 draft_52580_00466 75787 COC1=CC(=C(C=C1)O)C(=O)O +4.29 draft_52580_00467 5793 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O +4.29 draft_52580_00468 6036 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O +4.29 draft_52580_00469 79025 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O +4.29 draft_52580_00470 439312 C1[C@H]([C@@H]([C@@H](C(O1)(CO)O)O)O)O +4.29 draft_52580_00471 439507 C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O +4.334 draft_52580_00472 39186 CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC +4.338 draft_52580_00473 5326566 CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 +4.341 draft_52580_00474 2724702 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C +4.35 draft_52580_00475 69475 C1=CC=C(C=C1)C#CC(=O)O +4.354 draft_52580_00476 2266 C(CCCC(=O)O)CCCC(=O)O +4.364 draft_52580_00477 2520 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC +4.387 draft_52580_00478 11953814 CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C +4.399 draft_52580_00479 3744 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O +4.399 draft_52580_00480 5355219 C1=CC=C2C(=C1)C(=CN2)/C=C\C(=O)O +4.403 draft_52580_00481 4474 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC +4.405 draft_52580_00482 863 C1CSSC1CCCCC(=O)N +4.424 draft_52580_00483 31249 CCOC(=O)CCC(=O)OCC +4.436 draft_52580_00484 107807 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O +4.456 draft_52580_00485 5756 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O +4.501 draft_52580_00486 54841 CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2 +4.552 draft_52580_00487 798 C1=CC=C2C(=C1)C=CN2 +4.568 draft_52580_00488 5572 C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O +4.578 draft_52580_00489 3696 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 +4.594 draft_52580_00490 12560 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O +4.604 draft_52580_00491 97750 CCOC(=O)C(C)C(=O)C(=O)OCC +4.609 draft_52580_00492 8158 CCCCCCCCC(=O)O +4.644 draft_52580_00493 74706 COC(=O)CC1=CNC2=CC=CC=C21 +4.65 draft_52580_00494 97536 CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N +4.678 draft_52580_00495 2160 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 +4.679 draft_52580_00496 222786 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +4.685 draft_52580_00497 444539 C1=CC=C(C=C1)/C=C/C(=O)O +4.707 draft_52580_00498 8617 C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O +4.71 draft_52580_00499 49 CC(C)C(=O)C(=O)O +4.748 draft_52580_00500 5192 C(CCCCC(=O)O)CCCC(=O)O +4.795 draft_52580_00501 9848818 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +4.827 draft_52580_00502 657311 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O +4.847 draft_52580_00503 641298 COC1=CC=CC=C1/C=C/C=O +4.878 draft_52580_00504 74300 C(CCCCC(=O)O)CCCCO +4.883 draft_52580_00505 667484 CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2 +4.947 draft_52580_00506 5505 CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C +4.992 draft_52580_00507 5452 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC +5.002 draft_52580_00508 10245190 CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C +5.014 draft_52580_00509 13067 CCOC(=O)CC1=CNC2=CC=CC=C21 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C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +5.234 draft_52580_00523 2733526 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 +5.245 draft_52580_00524 168381 CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C +5.273 draft_52580_00525 16757 C1=CC=C(C=C1)CCCCC(=O)O +5.302 draft_52580_00526 91486 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O +5.303 draft_52580_00527 79034 C(CCCCCC(=O)O)CCCCCO +5.319 draft_52580_00528 60846 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O +5.323 draft_52580_00529 13789 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C +5.334 draft_52580_00530 114935 CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O +5.344 draft_52580_00531 3121 CCCC(CCC)C(=O)O +5.352777778 draft_52580_00532 13011402 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O +5.394 draft_52580_00533 10140 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C diff --git a/raw_data/0402/0402_gradient.tsv b/raw_data/0402/0402_gradient.tsv new file mode 100644 index 000000000..88e608a98 --- /dev/null +++ b/raw_data/0402/0402_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/raw_data/0402/0402_info.tsv b/raw_data/0402/0402_info.tsv new file mode 100644 index 000000000..10de384f6 --- /dev/null +++ b/raw_data/0402/0402_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0402 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_81 diff --git a/raw_data/0402/0402_metadata.tsv b/raw_data/0402/0402_metadata.tsv new file mode 100644 index 000000000..3ebe17f8b --- /dev/null +++ b/raw_data/0402/0402_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0402 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 0.35 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2.0 98.0 0 0 % % % % diff --git a/raw_data/0402/0402_metadata.yaml b/raw_data/0402/0402_metadata.yaml new file mode 100644 index 000000000..4e7750978 --- /dev/null +++ b/raw_data/0402/0402_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + flowrate: 0.35 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + nh4oh: + value: 6.5 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + nh4oh: + value: 6.5 + unit: mM +id: '0402' diff --git a/raw_data/0402/0402_rtdata.tsv b/raw_data/0402/0402_rtdata.tsv new file mode 100644 index 000000000..8b667fd79 --- /dev/null +++ b/raw_data/0402/0402_rtdata.tsv @@ -0,0 +1,537 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0402_00001 0.58828602 890 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O +0402_00002 0.62080789 159296 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0.66390684 181976 C(C(CC(=O)O)O)C(=O)O C(C(CC(=O)O)O)C(=O)O +0402_00025 0.66609131 6831 C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O +0402_00026 0.66645562 68841 C([C@@H](C(=O)O)N)OP(=O)(O)O +0402_00027 0.66651849 811 C=C(CC(=O)O)C(=O)O C=C(CC(=O)O)C(=O)O +0402_00028 0.66725499 69507 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O +0402_00029 0.66756559 33037 [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O +0402_00030 0.66764257 439167 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O +0402_00031 0.66808014 92824 C([C@H](C(=O)O)O)C(=O)O +0402_00032 0.66903346 8977 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N +0402_00033 0.66915474 1081 CC(CC(=O)O)(C(=O)O)O CC(CC(=O)O)(C(=O)O)O +0402_00034 0.66969017 1110 C(CC(=O)O)C(=O)O C(CC(=O)O)C(=O)O +0402_00035 0.66979447 444305 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O +0402_00036 0.67028986 65127 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O +0402_00037 0.67033011 123912 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0.28 99.5 0.5 +4 0.28 30 70 +4.5 0.28 2 98 +5.4 0.28 2 98 diff --git a/raw_data/0403/0403_info.tsv b/raw_data/0403/0403_info.tsv new file mode 100644 index 000000000..14c06dcbc --- /dev/null +++ b/raw_data/0403/0403_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0403 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_82 diff --git a/raw_data/0403/0403_metadata.tsv b/raw_data/0403/0403_metadata.tsv new file mode 100644 index 000000000..7540121a4 --- /dev/null +++ b/raw_data/0403/0403_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0403 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 0.35 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 0 0 0 0 0 6.5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 2.0 98.0 0 0 % % % % diff --git a/raw_data/0403/0403_metadata.yaml b/raw_data/0403/0403_metadata.yaml new file mode 100644 index 000000000..cd8315964 --- /dev/null +++ b/raw_data/0403/0403_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + flowrate: 0.35 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + nh4oh: + value: 6.5 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + nh4oh: + value: 6.5 + unit: mM +id: '0403' diff --git a/raw_data/0403/0403_rtdata.tsv b/raw_data/0403/0403_rtdata.tsv new file mode 100644 index 000000000..76ceae0e0 --- /dev/null +++ b/raw_data/0403/0403_rtdata.tsv @@ -0,0 +1,585 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0403_00001 0.653 890 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O +0403_00002 0.688 172313 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C(C(C(=O)O)O)OP(=O)(O)O C(C(C(=O)O)O)OP(=O)(O)O +0403_00015 0.713 73323 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O +0403_00016 0.713 123658 C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O +0403_00017 0.716 6133 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O +0403_00018 0.72 159296 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N +0403_00019 0.722 525 C(C(C(=O)O)O)C(=O)O C(C(C(=O)O)O)C(=O)O +0403_00020 0.722 92824 C([C@H](C(=O)O)O)C(=O)O +0403_00021 0.722 222656 C([C@@H](C(=O)O)O)C(=O)O +0403_00022 0.726 17473 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O +0403_00023 0.727 106 C(C(C(=O)O)N)OP(=O)(O)O C(C(C(=O)O)N)OP(=O)(O)O +0403_00024 0.727 68841 C([C@@H](C(=O)O)N)OP(=O)(O)O +0403_00025 0.727 69507 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O +0403_00026 0.727 439958 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O +0403_00027 0.728 1081 CC(CC(=O)O)(C(=O)O)O CC(CC(=O)O)(C(=O)O)O +0403_00028 0.728 181976 C(C(CC(=O)O)O)C(=O)O C(C(CC(=O)O)O)C(=O)O +0403_00029 0.728 439167 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O +0403_00030 0.728 439939 C(CC(=O)O)[C@@H](C(=O)O)O +0403_00031 0.73 6031 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O +0403_00032 0.73 33037 [C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O +0403_00033 0.73 3037582 [C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O +0403_00034 0.731 51 C(CC(=O)O)C(=O)C(=O)O C(CC(=O)O)C(=O)C(=O)O +0403_00035 0.731 487 CC(C(=O)O)C(=O)O CC(C(=O)O)C(=O)O +0403_00036 0.731 867 C(C(=O)O)C(=O)O C(C(=O)O)C(=O)O +0403_00037 0.731 1110 C(CC(=O)O)C(=O)O C(CC(=O)O)C(=O)O +0403_00038 0.731 444266 C(=C\C(=O)O)\C(=O)O +0403_00039 0.731 444972 C(=C/C(=O)O)\C(=O)O +0403_00040 0.733 1060 CC(=O)C(=O)O CC(=O)C(=O)O +0403_00041 0.733 1662 CC(CC(=O)O)(CC(=O)O)O CC(CC(=O)O)(CC(=O)O)O +0403_00042 0.733 65065 CC(=O)N[C@@H](CC(=O)O)C(=O)O +0403_00043 0.733 193530 C(CC(C(=O)O)O)CC(=O)O C(CC(C(=O)O)O)CC(=O)O +0403_00044 0.734 743 C(CC(=O)O)CC(=O)O C(CC(=O)O)CC(=O)O +0403_00045 0.734 10349 CC(CC(=O)O)C(=O)O CC(CC(=O)O)C(=O)O +0403_00046 0.734 11756 CCC(C(=O)O)C(=O)O CCC(C(=O)O)C(=O)O +0403_00047 0.734 65070 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O +0403_00048 0.736 10132 C(=O)(C(=O)O)C(=O)O C(=O)(C(=O)O)C(=O)O +0403_00049 0.737 6830 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N +0403_00050 0.737 439655 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O +0403_00051 0.737 444305 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O +0403_00052 0.737 9548602 CN(CC(=O)O)/C(=N/P(=O)(O)O)/N +0403_00053 0.738 2526 C(C(CO)OP(=O)(O)O)O C(C(CO)OP(=O)(O)O)O +0403_00054 0.738 150855 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O +0403_00055 0.74 71 C(CC(=O)C(=O)O)CC(=O)O C(CC(=O)C(=O)O)CC(=O)O +0403_00056 0.74 196 C(CCC(=O)O)CC(=O)O C(CCC(=O)O)CC(=O)O +0403_00057 0.74 12046 CC(CCC(=O)O)C(=O)O CC(CCC(=O)O)C(=O)O 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CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C +4.999 draft_52580_00568 122340 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +5.074 draft_52580_00569 657311 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O +5.164 draft_52580_00570 1369 C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O +5.222 draft_52580_00571 7175 CCCOC(=O)C1=CC=C(C=C1)O +5.236 draft_52580_00572 13067 CCOC(=O)CC1=CNC2=CC=CC=C21 +5.247 draft_52580_00573 65028 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC +5.286 draft_52580_00574 9848818 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +5.295 draft_52580_00575 5753 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O +5.296 draft_52580_00576 16724 CC1=CC[C@@H](CC1=O)C(=C)C +5.297 draft_52580_00577 39912 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O +5.307 draft_52580_00578 5744 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O +5.309 draft_52580_00579 3749 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 +5.317 draft_52580_00580 440707 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +5.349 draft_52580_00581 61840 CCCCC(CC)CCC(=O)O +5.355 draft_52580_00582 853433 C/C=C/C1=CC(=C(C=C1)O)OC +5.389 draft_52580_00583 16213405 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O +5.395 draft_52580_00584 2969 CCCCCCCCCC(=O)O diff --git a/raw_data/0404/0404_gradient.tsv b/raw_data/0404/0404_gradient.tsv new file mode 100644 index 000000000..63ac54525 --- /dev/null +++ b/raw_data/0404/0404_gradient.tsv @@ -0,0 +1,8 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 100 0 +2.5 0.28 100 0 +7.5 0.28 70 30 +12.5 0.28 70 30 +15 0.28 60 40 +20 0.28 0 100 +27.5 0.28 0 100 diff --git a/raw_data/0404/0404_info.tsv b/raw_data/0404/0404_info.tsv new file mode 100644 index 000000000..d5141dcf7 --- /dev/null +++ b/raw_data/0404/0404_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0404 10.1016/j.chroma.2015.03.063 Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron ROASMI_49 diff --git a/raw_data/0404/0404_metadata.tsv b/raw_data/0404/0404_metadata.tsv new file mode 100644 index 000000000..f4925c8be --- /dev/null +++ b/raw_data/0404/0404_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.acn.unit eluent.B.meoh.unit +0404 Thermo Scientific Accucore C18 L1 150.0 2.1 2.6 24.0 0.4 90 0 10 0 0 0 0 0 0 0.0 0 0 0 10 mM 0 0 0 0 0 0 0 0 0 0 20 80 0 0 0 0 0 0 0 0.0 0 0 0 10 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0 0.0 0 0 0.0 100.0 0 0 % % % % % % diff --git a/raw_data/0404/0404_metadata.yaml b/raw_data/0404/0404_metadata.yaml new file mode 100644 index 000000000..c2e37ea4b --- /dev/null +++ b/raw_data/0404/0404_metadata.yaml @@ -0,0 +1,36 @@ +column: + name: Thermo Scientific Accucore C18 + id: 2.1 + temperature: 24 + flowrate: 0.4 + usp.code: L1 + length: 150 + particle.size: '2.6' +eluent: + A: + h2o: + value: 90 + unit: '%' + acn: + value: 10 + unit: '%' + nh4ac: + value: 10 + unit: mM + meoh: + value: 0 + unit: '%' + B: + h2o: + value: 20 + unit: '%' + acn: + value: 0 + unit: '%' + nh4ac: + value: 10 + unit: mM + meoh: + value: 80 + unit: '%' +id: '0404' diff --git a/raw_data/0404/0404_rtdata.tsv b/raw_data/0404/0404_rtdata.tsv new file mode 100644 index 000000000..23fd5c49c --- /dev/null +++ b/raw_data/0404/0404_rtdata.tsv @@ -0,0 +1,98 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0404_00001 2.754333333 7028 C[C@@H]([C@H](C1=CC=CC=C1)O)NC +0404_00002 2.754333333 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +0404_00003 2.9315 5917 C1CCC2=NN=NN2CC1 C1CCC2=NN=NN2CC1 +0404_00004 2.9915 1576 CC(C(=O)C1=CC=CC=C1)NC CC(C(=O)C1=CC=CC=C1)NC +0404_00005 3.1315 3343 CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O +0404_00006 3.2685 64782 C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C +0404_00007 3.4385 45789647 CC(C(=O)C1=CC2=C(C=C1)OCO2)NC +0404_00008 3.6485 4723 C1=CC=C(C=C1)C2C(=O)N=C(O2)N C1=CC=C(C=C1)C2C(=O)N=C(O2)N +0404_00009 3.774333333 3007 CC(CC1=CC=CC=C1)N +0404_00010 4.2185 2583 CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O +0404_00011 4.225666667 1614 CC(CC1=CC2=C(C=C1)OCO2)N +0404_00012 4.367166667 4771 CC(C)(CC1=CC=CC=C1)N CC(C)(CC1=CC=CC=C1)N +0404_00013 4.4485 75994 C1CN(CCN1)CC2=CC=CC=C2 C1CN(CCN1)CC2=CC=CC=C2 +0404_00014 4.4815 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0404_00015 4.664333333 10836 C[C@@H](CC1=CC=CC=C1)NC +0404_00016 4.8115 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +0404_00017 4.887166667 4762 CC1C(OCCN1)C2=CC=CC=C2 CC1C(OCCN1)C2=CC=CC=C2 +0404_00018 4.967166667 39147 CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O +0404_00019 5.112833333 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +0404_00020 5.12 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0404_00021 5.1515 4828 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O CC(C)NCC(COC1=CC=CC2=C1C=CN2)O +0404_00022 5.427166667 2206 CC1=CC(=O)N(N1C)C2=CC=CC=C2 +0404_00023 5.49 5497 CCN(CC)C(=O)C1=CN=CC=C1 CCN(CC)C(=O)C1=CN=CC=C1 +0404_00024 6.127166667 5603 CCCCCC(C)N CCCCCC(C)N +0404_00025 6.274333333 45266826 CC1=CC=C(C=C1)C(=O)C(C)NC CC1=CC=C(C=C1)C(=O)C(C)NC +0404_00026 6.4185 115808 CC1=CC=CC=C1CC(C)N CC1=CC=CC=C1CC(C)N +0404_00027 6.444333333 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0404_00028 6.51 5546 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N +0404_00029 6.542833333 4117 CC(CC1=CC=CC=C1OC)NC 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CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 +21.25 draft_52580_00095 20395 CCC(C1=CC=CC=C1)C(=O)OCCN2CCOC(C2C)C3=CC=CC=C3 +21.29433333 draft_52580_00096 3326 CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3 +22.18566667 draft_52580_00097 644073 C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O diff --git a/raw_data/0405/0405_gradient.tsv b/raw_data/0405/0405_gradient.tsv new file mode 100644 index 000000000..90c2f9b95 --- /dev/null +++ b/raw_data/0405/0405_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.35 95 5 +1 0.35 95 5 +24 0.35 0 100 +28 0.35 0 100 diff --git a/raw_data/0405/0405_info.tsv b/raw_data/0405/0405_info.tsv new file mode 100644 index 000000000..cc63a9e9f --- /dev/null +++ b/raw_data/0405/0405_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0405 10.1038/s41596-020-0341-5 Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu ROASMI_51 diff --git a/raw_data/0405/0405_metadata.tsv b/raw_data/0405/0405_metadata.tsv new file mode 100644 index 000000000..a72793d8e --- /dev/null +++ b/raw_data/0405/0405_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0405 Waters ACQUITY UPLC BEH C8 L7 100.0 2.1 1.7 50.0 0.35 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0405/0405_metadata.yaml b/raw_data/0405/0405_metadata.yaml new file mode 100644 index 000000000..a22bbad5e --- /dev/null +++ b/raw_data/0405/0405_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH C8 + id: 2.1 + temperature: 50 + flowrate: 0.35 + usp.code: L7 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0405' diff --git a/raw_data/0405/0405_rtdata.tsv b/raw_data/0405/0405_rtdata.tsv new file mode 100644 index 000000000..7cb3cb303 --- /dev/null +++ b/raw_data/0405/0405_rtdata.tsv @@ -0,0 +1,100 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0405_00001 0.75 305 C[N+](C)(C)CCO C[N+](C)(C)CCO +0405_00002 0.766666667 10917 C[N+](C)(C)C[C@@H](CC(=O)[O-])O +0405_00003 0.783333333 102191 C(C=O)[C@H]([C@H]([C@@H](CO)O)O)O +0405_00004 0.8 69522 CCCCCCC(C(=O)O)N CCCCCCC(C(=O)O)N +0405_00005 0.816666667 736316 C1CCN[C@H](C1)C(=O)O +0405_00006 0.9 145742 C1C[C@H](NC1)C(=O)O +0405_00007 1.0 27476 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O +0405_00008 1.016666667 5202 C1=CC2=C(C=C1O)C(=CN2)CCN C1=CC2=C(C=C1O)C(=CN2)CCN +0405_00009 1.016666667 84815 CSCC[C@H](C(=O)O)N +0405_00010 1.016666667 135398638 C1=NC2=C(N1)C(=O)NC=N2 C1=NC2=C(N1)C(=O)NC=N2 +0405_00011 1.033333333 126 C1=CC(=CC=C1C=O)O C1=CC(=CC=C1C=O)O +0405_00012 1.033333333 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0405_00013 1.033333333 31268 C1CCNC1 C1CCNC1 +0405_00014 1.116666667 444109 CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1 +0405_00015 1.216666667 83944 CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O +0405_00016 1.533333333 161166 C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N +0405_00017 1.6 670 C(C(=O)CO)O C(C(=O)CO)O +0405_00018 1.6 65725 C1COC(=O)N1N C1COC(=O)N1N +0405_00019 1.6 444539 C1=CC=C(C=C1)/C=C/C(=O)O +0405_00020 1.633333333 6140 C1=CC=C(C=C1)C[C@@H](C(=O)O)N +0405_00021 1.916666667 6613 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O +0405_00022 1.983333333 1983 CC(=O)NC1=CC=C(C=C1)O CC(=O)NC1=CC=C(C=C1)O +0405_00023 2.033333333 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0405_00024 2.283333333 4687 CN1C=NC2=C1C(=O)N(C(=O)N2)C CN1C=NC2=C1C(=O)N(C(=O)N2)C +0405_00025 2.283333333 439830 CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00026 2.466666667 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +0405_00027 2.466666667 10249 CN1C=CC=C1C2=CN=CC=C2 CN1C=CC=C1C2=CN=CC=C2 +0405_00028 2.466666667 11926 CC1=CC2=CC=CC=C2N=C1 CC1=CC2=CC=CC=C2N=C1 +0405_00029 3.05 7009565 CC(C)C[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] +0405_00030 3.233333333 16054 C1=CC2=C(C=CN2)C=C1O C1=CC2=C(C=CN2)C=C1O +0405_00031 3.666666667 92258 C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O +0405_00032 3.7 6426904 CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00033 3.85 493570 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O +0405_00034 4.183333333 7020642 C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)O +0405_00035 4.466666667 338 C1=CC=C(C(=C1)C(=O)O)O C1=CC=C(C(=C1)C(=O)O)O +0405_00036 5.166666667 92904 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O +0405_00037 5.283333333 40320 C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N +0405_00038 5.35 6993090 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N +0405_00039 6.8 138302576 CCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00040 7.333333333 3744 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O C1=CC=C2C(=C1)C(=CN2)CCC(=O)O +0405_00041 7.65 138309474 CCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00042 7.7 4421 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O +0405_00043 7.766666667 5754 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O +0405_00044 8.583333333 138251486 CC/C=C/C/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00045 8.616666667 53481661 CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00046 9.35 89350727 CCCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00047 9.966666667 71361462 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +0405_00048 10.65 5280353 CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O +0405_00049 11.45 138234473 CCCCCC/C=C/CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00050 11.76666667 3035026 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +0405_00051 11.81666667 138268911 CCCC/C=C/CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00052 11.86666667 138240173 CCCC/C=C/C=C/CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00053 12.6 91486 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O +0405_00054 12.68333333 138116408 CCCC/C=C/CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +0405_00055 13.0 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C1=CC=C2C(=C1)C(=CN2)CCC(=O)O +7.65 draft_52580_00041 138309474 CCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +7.7 draft_52580_00042 4421 CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O +7.766666667 draft_52580_00043 5754 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O +8.583333333 draft_52580_00044 138251486 CC/C=C/C/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +8.616666667 draft_52580_00045 53481661 CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +9.35 draft_52580_00046 89350727 CCCCC/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C +9.966666667 draft_52580_00047 71361462 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +10.65 draft_52580_00048 5280353 CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O +11.45 draft_52580_00049 138234473 CCCCCC/C=C/CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C +11.76666667 draft_52580_00050 3035026 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C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C +21.96666667 draft_52580_00099 53479127 CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C diff --git a/raw_data/0406/0406_gradient.tsv b/raw_data/0406/0406_gradient.tsv new file mode 100644 index 000000000..fa23743cc --- /dev/null +++ b/raw_data/0406/0406_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 98 2 +10 0.4 82 18 +15 0.4 72 28 +22 0.4 60 40 +32 0.4 33 67 diff --git a/raw_data/0406/0406_info.tsv b/raw_data/0406/0406_info.tsv new file mode 100644 index 000000000..446a25915 --- /dev/null +++ b/raw_data/0406/0406_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0406 10.1016/j.jpba.2015.06.020 Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang , Yan Zhu , Lei Zhang , Xin Chai, Miaomiao Jiang, Lihua Shan ROASMI_7 diff --git a/raw_data/0406/0406_metadata.tsv b/raw_data/0406/0406_metadata.tsv new file mode 100644 index 000000000..80f5ad840 --- /dev/null +++ b/raw_data/0406/0406_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0406 Waters ACQUITY UPLC BEH Shield RP18 L1 100.0 2.1 1.7 40.0 0.4 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.0 2.0 0 0 33.0 67.0 0 0 % % % % diff --git a/raw_data/0406/0406_metadata.yaml b/raw_data/0406/0406_metadata.yaml new file mode 100644 index 000000000..92a9289ba --- /dev/null +++ b/raw_data/0406/0406_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC BEH Shield RP18 + id: 2.1 + temperature: 40 + flowrate: 0.4 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0406' diff --git a/raw_data/0406/0406_rtdata.tsv b/raw_data/0406/0406_rtdata.tsv new file mode 100644 index 000000000..16886bba6 --- /dev/null +++ b/raw_data/0406/0406_rtdata.tsv @@ -0,0 +1,36 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0406_00001 4.336 23739502 C1=CC(=CC=C1C(CC(=O)O)C(=O)O)O C1=CC(=CC=C1C(CC(=O)O)C(=O)O)O +0406_00002 6.014 73981649 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O +0406_00003 8.556 442658 C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O +0406_00004 9.181 51666248 C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O +0406_00005 9.894 503737 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +0406_00006 10.186 10076238 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O +0406_00007 12.219 101939210 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O +0406_00008 12.32 442813 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +0406_00009 14.024 6442433 C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O +0406_00010 14.316 5318591 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O +0406_00011 14.477 5320092 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O +0406_00012 14.559 114829 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O +0406_00013 15.06 5280448 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O +0406_00014 15.078 5318869 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O +0406_00015 16.813 86278344 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](C[C@H]5O)(C)CO)C)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O +0406_00016 17.445 14187172 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O 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diff --git a/raw_data/0406/0406_rtdata.tsv.old b/raw_data/0406/0406_rtdata.tsv.old new file mode 100644 index 000000000..f893804f2 --- /dev/null +++ b/raw_data/0406/0406_rtdata.tsv.old @@ -0,0 +1,36 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +4.336 draft_01362_00001 23739502 C1=CC(=CC=C1C(CC(=O)O)C(=O)O)O +6.014 draft_01362_00002 73981649 C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O +8.556 draft_01362_00003 442658 C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O +9.181 draft_01362_00004 51666248 C1[C@H](OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O +9.894 draft_01362_00005 503737 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +10.186 draft_01362_00006 10076238 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O +12.219 draft_01362_00007 101939210 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O +12.32 draft_01362_00008 442813 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O +14.024 draft_01362_00009 6442433 C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)CO)O)O)O)(CO)O +14.316 draft_01362_00010 5318591 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O +14.477 draft_01362_00011 5320092 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O +14.559 draft_01362_00012 114829 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O +15.06 draft_01362_00013 5280448 COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O +15.078 draft_01362_00014 5318869 COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O +16.813 draft_01362_00015 86278344 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](C[C@H]5O)(C)CO)C)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O +17.445 draft_01362_00016 14187172 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O +17.755 draft_01362_00017 86278342 CC(=O)O[C@@H]1C[C@](C[C@@H]2[C@]1(CC[C@@]3(C2=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)C)C)C)(C)C(=O)O +18.996 draft_01362_00018 5280378 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O +19.784 draft_01362_00019 86278258 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@]6(C[C@H]5OC6=O)C)C)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O +19.941 draft_01362_00020 25015742 COC1=CC(=CC2=C1C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)O +20.726 draft_01362_00021 14891565 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O +20.88 draft_01362_00022 638278 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O +21.93 draft_01362_00023 14982 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O +22.349 draft_01362_00024 73157182 CC12CCC(CC1=C3C=CC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O +22.479 draft_01362_00025 158471 C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O +24.094 draft_01362_00026 5319013 CC(=CCC1=C(C=C(C(=C1OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C +24.774 draft_01362_00027 133867 CC(=CCC1=C(C=CC(=C1)C2=C(C3=CC(=C(C=C3O2)OC)OC)O)O)C +24.946 draft_01362_00028 5315125 CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)C +26.075 draft_01362_00029 5318585 CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)C +26.299 draft_01362_00030 5318998 CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O +26.901 draft_01362_00031 5481234 CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C +27.211 draft_01362_00032 5320083 CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C +28.082 draft_01362_00033 5481964 CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)C +28.677 draft_01362_00034 480865 CC(=CCC1=C(C=CC(=C1O)[C@H]2CC3=C(C=C(C(=C3OC)CC=C(C)C)O)OC2)O)C +29.23 draft_01362_00035 3230 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C diff --git a/raw_data/0407/0407_gradient.tsv b/raw_data/0407/0407_gradient.tsv new file mode 100644 index 000000000..5f7ea2acd --- /dev/null +++ b/raw_data/0407/0407_gradient.tsv @@ -0,0 +1,7 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.28 100 0 +1 0.28 100 0 +3 0.28 90 10 +18 0.28 60 40 +21 0.28 0 100 +25.5 0.28 0 100 diff --git a/raw_data/0407/0407_info.tsv b/raw_data/0407/0407_info.tsv new file mode 100644 index 000000000..85793d99f --- /dev/null +++ b/raw_data/0407/0407_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0407 10.1021/acs.jafc.0c00879 Submitted by Fangyuan Sun Panagiotis Arapitsas,Maurizio Ugliano,Matteo Marangon,Paola Piombino,Luca Rolle,Vincenzo Gerbi,Andrea Versari,Fulvio Mattivi ROASMI_33 diff --git a/raw_data/0407/0407_metadata.tsv b/raw_data/0407/0407_metadata.tsv new file mode 100644 index 000000000..4e01a7ed0 --- /dev/null +++ b/raw_data/0407/0407_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0407 Waters ACQUITY UPLC HSS T3 L1 150.0 2.1 1.8 40.0 0.28 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0 0.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0407/0407_metadata.yaml b/raw_data/0407/0407_metadata.yaml new file mode 100644 index 000000000..a75ac5c47 --- /dev/null +++ b/raw_data/0407/0407_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters ACQUITY UPLC HSS T3 + id: 2.1 + temperature: 40 + flowrate: 0.28 + usp.code: L1 + length: 150 + particle.size: '1.8' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0407' diff --git a/raw_data/0407/0407_rtdata.tsv b/raw_data/0407/0407_rtdata.tsv new file mode 100644 index 000000000..7559c4d77 --- /dev/null +++ b/raw_data/0407/0407_rtdata.tsv @@ -0,0 +1,71 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0407_00001 1.2 232 NC(CCCNC(N)=N)C(O)=O C(CC(C(=O)O)N)CN=C(N)N +0407_00002 1.49 614 OC(=O)C1CCCN1 C1CC(NC1)C(=O)O +0407_00003 2.07 1182 CC(C)C(N)C(O)=O CC(C)C(C(=O)O)N +0407_00004 2.46 124886 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O +0407_00005 3.94 1188 C1=NC2=C(N1)C(=O)NC(=O)N2 C1=NC2=C(N1)C(=O)NC(=O)N2 +0407_00006 4.05 1153 NC(Cc1ccc(O)cc1)C(O)=O C1=CC(=CC=C1CC(C(=O)O)N)O +0407_00007 4.21 857 CC(C)CC(N)C(O)=O CC(C)CC(C(=O)O)N +0407_00008 5.95 994 NC(Cc1ccccc1)C(O)=O C1=CC=C(C=C1)CC(C(=O)O)N +0407_00009 6.46 65084 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 +0407_00010 6.83 370 OC(=O)c1cc(O)c(O)c(O)c1 C1=C(C=C(C(=C1O)O)O)C(=O)O +0407_00011 7.04 988 CC(C)(CO)C(O)C(=O)NCCC(O)=O CC(C)(CO)C(C(=O)NCCC(=O)O)O +0407_00012 7.71 6440397 C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O +0407_00013 8.12 146798 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +0407_00014 8.26 1148 NC(Cc1c[nH]c2ccccc12)C(O)=O C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +0407_00015 8.34 124025 O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 +0407_00016 8.35 11250133 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +0407_00017 9.29 72551452 O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O +0407_00018 9.39 147299 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +0407_00019 9.4 72277 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 +0407_00020 9.62 1203 C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O +0407_00021 9.66 72551455 O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O)C(O)=O +0407_00022 10.51 146026570 C1=CC=C2C(=C1)C(CCO)=C(N2)S(O)(=O)=O C1=CC=C2C(=C1)C(=C(N2)S(=O)(=O)O)CCO +0407_00023 10.57 122738 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +0407_00024 10.89 69501207 C(C(C(=O)O)O)(OC(C=CC=1C=CC(=C(C1)OC)O)=O)C(=O)O COC1=C(C=CC(=C1)C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O +0407_00025 11.27 443650 OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +0407_00026 11.74 2518 OC(=O)C=Cc1ccc(O)c(O)c1 C1=CC(=C(C=C1C=CC(=O)O)O)O +0407_00027 12.59 72276 [H][C@@]1(Oc2cc(O)cc(O)c2C[C@H]1O)c1ccc(O)c(O)c1 +0407_00028 13.35 443651 COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +0407_00029 14.2 13250 CCOC(=O)c1cc(O)c(O)c(O)c1 CCOC(=O)C1=CC(=C(C(=C1)O)O)O +0407_00030 14.43 107905 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 +0407_00031 14.55 443654 COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +0407_00032 14.6 493570 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C +0407_00033 14.79 443652 COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +0407_00034 15.18 65064 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 +0407_00035 15.34 92904 OC(Cc1c[nH]c2ccccc12)C(O)=O C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O +0407_00036 15.77 5281718 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O +0407_00037 16.57 44259442 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)C(=O)O)O)O)O +0407_00038 16.87 15385440 CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +0407_00039 16.98 44259426 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)CO)O)O)O +0407_00040 17.74 44195285 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC=C3)CO +0407_00041 18.14 15714477 OC=1C=C(O)C=C2C1C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(C)=O)O)O)O)C(=[O+]2)C4=CC=C(O)C(=C4)O +0407_00042 18.4 44256961 O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)COC(=O)C +0407_00043 18.55 122850 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 +0407_00044 18.64 135430431 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC(O)=C3C=O)CO +0407_00045 18.97 131750813 C=1C(=CC(=C2C1OC(C(C2=O)O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)C(O)=O)O)O)O)O)O C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O +0407_00046 19.06 5280804 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +0407_00047 19.41 5281643 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O +0407_00048 19.53 72193652 COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O +0407_00049 19.59 72193646 COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O +0407_00050 19.61 10178463 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O +0407_00051 19.65 44259475 O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)CO +0407_00052 19.84 5281855 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O +0407_00053 20.01 15922818 O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O +0407_00054 20.13 5281672 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +0407_00055 20.19 5318759 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O +0407_00056 20.19 72193656 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O +0407_00057 20.22 5282102 C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4 +0407_00058 20.22 101429462 C1=CC(=CC=C1C=CC(=[OH+])OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O +0407_00059 20.29 5318645 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +0407_00060 20.34 71308234 COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O +0407_00061 20.35 44259492 O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)CO +0407_00062 20.35 72193654 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O)O +0407_00063 20.4 1548910 Oc1ccc(cc1)\C=C/c1cc(O)cc(O)c1 +0407_00064 20.62 643732 CC(\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O +0407_00065 20.69 5317238 C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O +0407_00066 20.78 5280343 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +0407_00067 20.88 5282154 COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +0407_00068 21.17 5280863 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0407_00069 21.22 5281654 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0407_00070 21.27 5281953 COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O diff --git a/raw_data/0407/0407_rtdata.tsv.old b/raw_data/0407/0407_rtdata.tsv.old new file mode 100644 index 000000000..2e713120e --- /dev/null +++ b/raw_data/0407/0407_rtdata.tsv.old @@ -0,0 +1,71 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +1.2 draft_01362_00001 232 NC(CCCNC(N)=N)C(O)=O +1.49 draft_01362_00002 614 OC(=O)C1CCCN1 +2.07 draft_01362_00003 1182 CC(C)C(N)C(O)=O +2.46 draft_01362_00004 124886 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O +3.94 draft_01362_00005 1188 C1=NC2=C(N1)C(=O)NC(=O)N2 +4.05 draft_01362_00006 1153 NC(Cc1ccc(O)cc1)C(O)=O +4.21 draft_01362_00007 857 CC(C)CC(N)C(O)=O +5.95 draft_01362_00008 994 NC(Cc1ccccc1)C(O)=O +6.46 draft_01362_00009 65084 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 +6.83 draft_01362_00010 370 OC(=O)c1cc(O)c(O)c(O)c1 +7.04 draft_01362_00011 988 CC(C)(CO)C(O)C(=O)NCCC(O)=O +7.71 draft_01362_00012 6440397 C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O +8.12 draft_01362_00013 146798 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +8.26 draft_01362_00014 1148 NC(Cc1c[nH]c2ccccc12)C(O)=O +8.34 draft_01362_00015 124025 O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 +8.35 draft_01362_00016 11250133 O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +9.29 draft_01362_00017 72551452 O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O +9.39 draft_01362_00018 147299 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +9.4 draft_01362_00019 72277 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 +9.62 draft_01362_00020 1203 C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O +9.66 draft_01362_00021 72551455 O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O)C(O)=O +10.51 draft_01362_00022 146026570 C1=CC=C2C(=C1)C(CCO)=C(N2)S(O)(=O)=O +10.57 draft_01362_00023 122738 O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 +10.89 draft_01362_00024 69501207 C(C(C(=O)O)O)(OC(C=CC=1C=CC(=C(C1)OC)O)=O)C(=O)O +11.27 draft_01362_00025 443650 OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +11.74 draft_01362_00026 2518 OC(=O)C=Cc1ccc(O)c(O)c1 +12.59 draft_01362_00027 72276 [H][C@@]1(Oc2cc(O)cc(O)c2C[C@H]1O)c1ccc(O)c(O)c1 +13.35 draft_01362_00028 443651 COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +14.2 draft_01362_00029 13250 CCOC(=O)c1cc(O)c(O)c(O)c1 +14.43 draft_01362_00030 107905 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 +14.55 draft_01362_00031 443654 COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +14.6 draft_01362_00032 493570 Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C +14.79 draft_01362_00033 443652 COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +15.18 draft_01362_00034 65064 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 +15.34 draft_01362_00035 92904 OC(Cc1c[nH]c2ccccc12)C(O)=O +15.77 draft_01362_00036 5281718 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O +16.57 draft_01362_00037 44259442 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)C(=O)O)O)O)O +16.87 draft_01362_00038 15385440 CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +16.98 draft_01362_00039 44259426 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C(C([C@@H]([C@H](O4)CO)O)O)O +17.74 draft_01362_00040 44195285 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC=C3)CO +18.14 draft_01362_00041 15714477 OC=1C=C(O)C=C2C1C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(C)=O)O)O)O)C(=[O+]2)C4=CC=C(O)C(=C4)O +18.4 draft_01362_00042 44256961 O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)COC(=O)C +18.55 draft_01362_00043 122850 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 +18.64 draft_01362_00044 135430431 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C4C(OC2C5=CC(OC)=C(O)C(OC)=C5)=CC(=[OH+])C=C4OC(O)=C3C=O)CO +18.97 draft_01362_00045 131750813 C=1C(=CC(=C2C1OC(C(C2=O)O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)C(O)=O)O)O)O)O)O +19.06 draft_01362_00046 5280804 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O +19.41 draft_01362_00047 5281643 OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O +19.53 draft_01362_00048 72193652 COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O +19.59 draft_01362_00049 72193646 COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O +19.61 draft_01362_00050 10178463 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O +19.65 draft_01362_00051 44259475 O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)CO +19.84 draft_01362_00052 5281855 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O +20.01 draft_01362_00053 15922818 O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O +20.13 draft_01362_00054 5281672 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O +20.19 draft_01362_00055 5318759 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O +20.19 draft_01362_00056 72193656 COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O +20.22 draft_01362_00057 5282102 C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4 +20.22 draft_01362_00058 101429462 C1=CC(=CC=C1C=CC(=[OH+])OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)O)O)O)O +20.29 draft_01362_00059 5318645 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O +20.34 draft_01362_00060 71308234 COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O +20.35 draft_01362_00061 44259492 O1[C@@H]([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C(OC)=C4)CO +20.35 draft_01362_00062 72193654 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O)O)O)O +20.4 draft_01362_00063 1548910 Oc1ccc(cc1)\C=C/c1cc(O)cc(O)c1 +20.62 draft_01362_00064 643732 CC(\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O +20.69 draft_01362_00065 5317238 C=1(C=CC(=C(C1)O)O)/C=C/C(OCC)=O +20.78 draft_01362_00066 5280343 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O +20.88 draft_01362_00067 5282154 COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O +21.17 draft_01362_00068 5280863 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O +21.22 draft_01362_00069 5281654 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O +21.27 draft_01362_00070 5281953 COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O diff --git a/raw_data/0408/0408_gradient.tsv b/raw_data/0408/0408_gradient.tsv new file mode 100644 index 000000000..3dfd93b8b --- /dev/null +++ b/raw_data/0408/0408_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 -1 95 5 +1 -1 95 5 +16 -1 5 95 +18 -1 5 95 diff --git a/raw_data/0408/0408_info.tsv b/raw_data/0408/0408_info.tsv new file mode 100644 index 000000000..21d05ba14 --- /dev/null +++ b/raw_data/0408/0408_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0408 10.1007/s00216-013-6954-6 Submitted by Fangyuan Sun Stanstrup, J., Gerlich, M., Dragsted, L.O. et al ROASMI_43 column temperature and flowrate diff --git a/raw_data/0408/0408_metadata.tsv b/raw_data/0408/0408_metadata.tsv new file mode 100644 index 000000000..ac573f2f8 --- /dev/null +++ b/raw_data/0408/0408_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0408 Waters ACQUITY UPLC HSS T3 L1 150.0 2.1 1.8 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 % % % % diff --git a/raw_data/0408/0408_metadata.yaml b/raw_data/0408/0408_metadata.yaml new file mode 100644 index 000000000..97c5c0793 --- /dev/null +++ b/raw_data/0408/0408_metadata.yaml @@ -0,0 +1,28 @@ +column: + name: Waters ACQUITY UPLC HSS T3 + id: 2.1 + usp.code: L1 + length: 150 + particle.size: '1.8' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0408' diff --git a/raw_data/0408/0408_rtdata.tsv b/raw_data/0408/0408_rtdata.tsv new file mode 100644 index 000000000..70995caad --- /dev/null +++ b/raw_data/0408/0408_rtdata.tsv @@ -0,0 +1,83 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0408_00001 0.407366667 92105 CN1C=C(N=C1)C[C@@H](C(=O)O)N +0408_00002 0.412966667 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0408_00003 0.446016667 1123 C(CS(=O)(=O)O)N C(CS(=O)(=O)O)N +0408_00004 0.45725 9750 C(C[C@@H](C(=O)O)N)CNC(=O)N +0408_00005 0.481516667 145742 C1C[C@H](NC1)C(=O)O +0408_00006 0.525266667 190 C1=NC2=NC=NC(=C2N1)N C1=NC2=NC=NC(=C2N1)N +0408_00007 0.637566667 1174 C1=CNC(=O)NC1=O C1=CNC(=O)NC1=O +0408_00008 0.6432 1175 C12=C(NC(=O)N1)NC(=O)NC2=O C12=C(NC(=O)N1)NC(=O)NC2=O +0408_00009 0.6432 6137 CSCC[C@@H](C(=O)O)N +0408_00010 0.687466667 7405 C1CC(=O)N[C@@H]1C(=O)O +0408_00011 0.7 1153 C1=CC(=CC=C1CC(C(=O)O)N)O C1=CC(=CC=C1CC(C(=O)O)N)O +0408_00012 0.7 191 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N +0408_00013 0.704316667 6029 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O +0408_00014 0.71555 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0408_00015 0.733066667 487 CC(C(=O)O)C(=O)O CC(C(=O)O)C(=O)O +0408_00016 0.755466667 60961 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N +0408_00017 0.794616667 6106 CC(C)C[C@@H](C(=O)O)N +0408_00018 0.794616667 6306 CC[C@H](C)[C@@H](C(=O)O)N +0408_00019 0.8 636 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O +0408_00020 0.8391 135398641 C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O removed another duplicate entry +0408_00021 1.0 1177 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O +0408_00022 1.1 317398 COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O +0408_00023 1.1 135398635 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N +0408_00024 1.142266667 743 C(CC(=O)O)CC(=O)O C(CC(=O)O)CC(=O)O +0408_00025 1.3 994 C1=CC=C(C=C1)CC(C(=O)O)N C1=CC=C(C=C1)CC(C(=O)O)N +0408_00026 1.311366667 6140 C1=CC=C(C=C1)C[C@@H](C(=O)O)N +0408_00027 1.6 5789 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O +0408_00028 1.7 98207 C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N +0408_00029 1.8 472107 C1=CC=C2C(=C1)C(=CN2)CN C1=CC=C2C(=C1)C(=CN2)CN +0408_00030 1.945866667 978 C1=CC(=CC=C1C(=O)O)N C1=CC(=CC=C1C(=O)O)N +0408_00031 2.3 97415 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN +0408_00032 2.327 196 C(CCC(=O)O)CC(=O)O C(CCC(=O)O)CC(=O)O +0408_00033 2.4 1148 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +0408_00034 2.529816667 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +0408_00035 2.62 3977067 CC(C)CC(C(=O)N1CCCC1C(=O)O)N CC(C)CC(C(=O)N1CCCC1C(=O)O)N +0408_00036 2.7 352039 CC(C)CC(N=C(O)C(N)C(C)C)C(O)=O CC(C)CC(C(=O)O)NC(=O)C(C(C)C)N +0408_00037 2.8 273262 CC(C)CC(N)C(O)=NC(Cc1ccc(O)cc1)C(O)=O CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N +0408_00038 2.9 5351506 OCC1OC(Oc2cc3C=CC(=O)Oc3cc2O)C(O)C(O)C1O C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O +0408_00039 2.9 14282475 CCC(C)C(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=O CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N +0408_00040 3.0 4096934 CC(C)C(N=C(O)C(N)Cc1ccccc1)C(O)=O CC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +0408_00041 3.0 3496897 COc1cc(C=CCO)ccc1OC2OC(CO)C(O)C(O)C2O COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O +0408_00042 3.1 13879965 CCC(C)C(N)C(O)=NC(C(C)CC)C(O)=O CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)N +0408_00043 3.1 98285 OC(=O)C1Cc2c(CN1)[nH]c3ccccc23 C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O +0408_00044 3.2 4466134 CC(C)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=O CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N +0408_00045 3.2 323959 COc1cc(C=CCO)cc(OC)c1OC2OC(CO)C(O)C(O)C2O COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO +0408_00046 3.2 10931962 COc1cccc2[nH]cc(CN)c12 COC1=CC=CC2=C1C(=CN2)CN +0408_00047 3.3 144746 CC(C)C(N)C(O)=NC(Cc1ccccc1)C(O)=O CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N +0408_00048 3.3 435718 CCC(C)C(N=C(O)C(N)CC(C)C)C(O)=O CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)N +0408_00049 3.3 346340 COc1cc2C=CC(=O)Oc2cc1OC3OC(CO)C(O)C(O)C3O COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O +0408_00050 3.38825 464 C1=CC=C(C=C1)C(=O)NCC(=O)O C1=CC=C(C=C1)C(=O)NCC(=O)O +0408_00051 3.4 5281416 Oc1cc2OC(=O)C=Cc2cc1O C1=CC(=O)OC2=CC(=C(C=C21)O)O +0408_00052 3.4 13817313 CCC(C)C(N)C(O)=NC(CC(C)C)C(O)=O CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)N +0408_00053 3.4563 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C CN1C=NC2=C1C(=O)N(C(=O)N2C)C +0408_00054 3.472433333 385 C(CCC(=O)O)CCC(=O)O C(CCC(=O)O)CCC(=O)O +0408_00055 3.493666667 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O +0408_00056 3.595966667 999 C1=CC=C(C=C1)CC(=O)O C1=CC=C(C=C1)CC(=O)O +0408_00057 3.6 94244 CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=O CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)N +0408_00058 3.7 11332792 COn1cc(CN)c2ccccc12 CON1C=C(C2=CC=CC=C21)CN +0408_00059 3.8 18218232 CCC(C)C(N=C(O)C(N)Cc1ccccc1)C(O)=O CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +0408_00060 3.9 435728 CCC(C)C(N)C(O)=NC(Cc1ccccc1)C(O)=O CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N +0408_00061 3.922316667 493570 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O removed another duplicate entry +0408_00062 4.1 4078229 CC(C)CC(N=C(O)C(N)Cc1ccccc1)C(O)=O CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N +0408_00063 4.2 259325 CC(C)CC(N)C(O)=NC(Cc1ccccc1)C(O)=O CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N +0408_00064 4.370816667 643327 C1=CC=C(C=C1)C[C@H](C(=O)O)O +0408_00065 4.5 5280460 COc1cc2C=CC(=O)Oc2cc1O COC1=C(C=C2C(=C1)C=CC(=O)O2)O +0408_00066 4.6 25010767 CSCCCCCCCC(N)C(O)=O CSCCCCCCCC(C(=O)O)N +0408_00067 4.7 69867 OC(=O)c1c[nH]c2ccccc12 C1=CC=C2C(=C1)C(=CN2)C(=O)O +0408_00068 4.8 10256 C1=CC=C2C(=C1)C(=CN2)C=O C1=CC=C2C(=C1)C(=CN2)C=O +0408_00069 5.1 9815282 C1=CC2=C(C(=C1)O)C(=CN2)C=O C1=CC2=C(C(=C1)O)C(=CN2)C=O +0408_00070 5.3534 2266 C(CCCC(=O)O)CCCC(=O)O C(CCCC(=O)O)CCCC(=O)O +0408_00071 5.4 25010766 CSCCCCCCCCC(N)C(O)=O CSCCCCCCCCC(C(=O)O)N +0408_00072 5.6 134203 COc1cc(CC2COC(C2CO)c3ccc(O)c(OC)c3)ccc1O COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O +0408_00073 6.5559 5754 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O +0408_00074 6.606466667 222786 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +0408_00075 7.565633333 6675 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +0408_00076 7.919366667 10140 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +0408_00077 8.1 9794659 C[S](=O)CCCCCCCCN=C=S CS(=O)CCCCCCCCN=C=S +0408_00078 8.94125 221493 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +0408_00079 10.4909 10133 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +0408_00080 10.7043 222528 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +0408_00081 11.598 86554 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O +0408_00082 11.9967 5280634 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O diff --git a/raw_data/0408/0408_rtdata.tsv.old b/raw_data/0408/0408_rtdata.tsv.old new file mode 100644 index 000000000..805c69f95 --- /dev/null +++ b/raw_data/0408/0408_rtdata.tsv.old @@ -0,0 +1,83 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +0.407366667 draft_01362_00001 92105 CN1C=C(N=C1)C[C@@H](C(=O)O)N +0.412966667 draft_01362_00002 6322 C(C[C@@H](C(=O)O)N)CN=C(N)N +0.446016667 draft_01362_00003 1123 C(CS(=O)(=O)O)N +0.45725 draft_01362_00004 9750 C(C[C@@H](C(=O)O)N)CNC(=O)N +0.481516667 draft_01362_00005 145742 C1C[C@H](NC1)C(=O)O +0.525266667 draft_01362_00006 190 C1=NC2=NC=NC(=C2N1)N +0.637566667 draft_01362_00007 1174 C1=CNC(=O)NC1=O +0.6432 draft_01362_00008 1175 C12=C(NC(=O)N1)NC(=O)NC2=O +0.6432 draft_01362_00009 6137 CSCC[C@@H](C(=O)O)N +0.687466667 draft_01362_00010 7405 C1CC(=O)N[C@@H]1C(=O)O +0.7 draft_01362_00011 1153 C1=CC(=CC=C1CC(C(=O)O)N)O +0.7 draft_01362_00012 191 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N +0.704316667 draft_01362_00013 6029 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O +0.71555 draft_01362_00014 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0.733066667 draft_01362_00015 487 CC(C(=O)O)C(=O)O +0.755466667 draft_01362_00016 60961 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N +0.794616667 draft_01362_00017 6106 CC(C)C[C@@H](C(=O)O)N +0.794616667 draft_01362_00018 6306 CC[C@H](C)[C@@H](C(=O)O)N +0.8 draft_01362_00019 636 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O +0.8391 removed another duplicate entry draft_01362_00020 135398641 C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O +1 draft_01362_00021 1177 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O +1.1 draft_01362_00022 317398 COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O +1.1 draft_01362_00023 135398635 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N +1.142266667 draft_01362_00024 743 C(CC(=O)O)CC(=O)O +1.3 draft_01362_00025 994 C1=CC=C(C=C1)CC(C(=O)O)N +1.311366667 draft_01362_00026 6140 C1=CC=C(C=C1)C[C@@H](C(=O)O)N +1.6 draft_01362_00027 5789 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O +1.7 draft_01362_00028 98207 C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N +1.8 draft_01362_00029 472107 C1=CC=C2C(=C1)C(=CN2)CN +1.945866667 draft_01362_00030 978 C1=CC(=CC=C1C(=O)O)N +2.3 draft_01362_00031 97415 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN +2.327 draft_01362_00032 196 C(CCC(=O)O)CC(=O)O +2.4 draft_01362_00033 1148 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +2.529816667 draft_01362_00034 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +2.62 draft_01362_00035 3977067 CC(C)CC(C(=O)N1CCCC1C(=O)O)N +2.7 draft_01362_00036 352039 CC(C)CC(N=C(O)C(N)C(C)C)C(O)=O +2.8 draft_01362_00037 273262 CC(C)CC(N)C(O)=NC(Cc1ccc(O)cc1)C(O)=O +2.9 draft_01362_00038 5351506 OCC1OC(Oc2cc3C=CC(=O)Oc3cc2O)C(O)C(O)C1O +2.9 draft_01362_00039 14282475 CCC(C)C(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=O +3 draft_01362_00040 4096934 CC(C)C(N=C(O)C(N)Cc1ccccc1)C(O)=O +3 draft_01362_00041 3496897 COc1cc(C=CCO)ccc1OC2OC(CO)C(O)C(O)C2O +3.1 draft_01362_00042 13879965 CCC(C)C(N)C(O)=NC(C(C)CC)C(O)=O +3.1 draft_01362_00043 98285 OC(=O)C1Cc2c(CN1)[nH]c3ccccc23 +3.2 draft_01362_00044 4466134 CC(C)CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=O +3.2 draft_01362_00045 323959 COc1cc(C=CCO)cc(OC)c1OC2OC(CO)C(O)C(O)C2O +3.2 draft_01362_00046 10931962 COc1cccc2[nH]cc(CN)c12 +3.3 draft_01362_00047 144746 CC(C)C(N)C(O)=NC(Cc1ccccc1)C(O)=O +3.3 draft_01362_00048 435718 CCC(C)C(N=C(O)C(N)CC(C)C)C(O)=O +3.3 draft_01362_00049 346340 COc1cc2C=CC(=O)Oc2cc1OC3OC(CO)C(O)C(O)C3O +3.38825 draft_01362_00050 464 C1=CC=C(C=C1)C(=O)NCC(=O)O +3.4 draft_01362_00051 5281416 Oc1cc2OC(=O)C=Cc2cc1O +3.4 draft_01362_00052 13817313 CCC(C)C(N)C(O)=NC(CC(C)C)C(O)=O +3.4563 draft_01362_00053 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C +3.472433333 draft_01362_00054 385 C(CCC(=O)O)CCC(=O)O +3.493666667 draft_01362_00055 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O +3.595966667 draft_01362_00056 999 C1=CC=C(C=C1)CC(=O)O +3.6 draft_01362_00057 94244 CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=O +3.7 draft_01362_00058 11332792 COn1cc(CN)c2ccccc12 +3.8 draft_01362_00059 18218232 CCC(C)C(N=C(O)C(N)Cc1ccccc1)C(O)=O +3.9 draft_01362_00060 435728 CCC(C)C(N)C(O)=NC(Cc1ccccc1)C(O)=O +3.922316667 removed another duplicate entry draft_01362_00061 493570 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O +4.1 draft_01362_00062 4078229 CC(C)CC(N=C(O)C(N)Cc1ccccc1)C(O)=O +4.2 draft_01362_00063 259325 CC(C)CC(N)C(O)=NC(Cc1ccccc1)C(O)=O +4.370816667 draft_01362_00064 643327 C1=CC=C(C=C1)C[C@H](C(=O)O)O +4.5 draft_01362_00065 5280460 COc1cc2C=CC(=O)Oc2cc1O +4.6 draft_01362_00066 25010767 CSCCCCCCCC(N)C(O)=O +4.7 draft_01362_00067 69867 OC(=O)c1c[nH]c2ccccc12 +4.8 draft_01362_00068 10256 C1=CC=C2C(=C1)C(=CN2)C=O +5.1 draft_01362_00069 9815282 C1=CC2=C(C(=C1)O)C(=CN2)C=O +5.3534 draft_01362_00070 2266 C(CCCC(=O)O)CCCC(=O)O +5.4 draft_01362_00071 25010766 CSCCCCCCCCC(N)C(O)=O +5.6 draft_01362_00072 134203 COc1cc(CC2COC(C2CO)c3ccc(O)c(OC)c3)ccc1O +6.5559 draft_01362_00073 5754 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O +6.606466667 draft_01362_00074 222786 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C +7.565633333 draft_01362_00075 6675 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +7.919366667 draft_01362_00076 10140 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +8.1 draft_01362_00077 9794659 C[S](=O)CCCCCCCCN=C=S +8.94125 draft_01362_00078 221493 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +10.4909 draft_01362_00079 10133 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +10.7043 draft_01362_00080 222528 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +11.598 draft_01362_00081 86554 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O +11.9967 draft_01362_00082 5280634 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O diff --git a/raw_data/0409/0409_gradient.tsv b/raw_data/0409/0409_gradient.tsv new file mode 100644 index 000000000..4f95bdebc --- /dev/null +++ b/raw_data/0409/0409_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.1 98 2 +3 0.1 98 2 +20 0.1 0 100 +29 0.1 0 100 diff --git a/raw_data/0409/0409_info.tsv b/raw_data/0409/0409_info.tsv new file mode 100644 index 000000000..0c3684b9b --- /dev/null +++ b/raw_data/0409/0409_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0409 10.1016/j.scitotenv.2015.09.145 Submitted by Fangyuan Sun Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis ROASMI_46 column.temperature diff --git a/raw_data/0409/0409_metadata.tsv b/raw_data/0409/0409_metadata.tsv new file mode 100644 index 000000000..62a7b27cc --- /dev/null +++ b/raw_data/0409/0409_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0409 Waters Atlantis T3 L1 100.0 2.1 3 0.1 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.0 2.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0409/0409_metadata.yaml b/raw_data/0409/0409_metadata.yaml new file mode 100644 index 000000000..d7cb7339a --- /dev/null +++ b/raw_data/0409/0409_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Waters Atlantis T3 + id: 2.1 + flowrate: 0.1 + usp.code: L1 + length: 100 + particle.size: '3' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.01 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0409' diff --git a/raw_data/0409/0409_rtdata.tsv b/raw_data/0409/0409_rtdata.tsv new file mode 100644 index 000000000..019d294af --- /dev/null +++ b/raw_data/0409/0409_rtdata.tsv @@ -0,0 +1,92 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0409_00001 7.11 5324 C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N +0409_00002 10.08 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +0409_00003 11.59 5355 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC +0409_00004 11.68 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0409_00005 11.84 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +0409_00006 11.95 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N CC1=C(N=CN1)CSCCNC(=NC)NC#N +0409_00007 12.0 26934 C[C@H]([C@H](C1=CC=CC=C1)O)N +0409_00008 12.03 441457 C[C@@H]([C@H](C1=CC=CC=C1)O)N +0409_00009 12.25 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0409_00010 12.39 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +0409_00011 12.6 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +0409_00012 12.99 520352 CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C +0409_00013 13.13 1983 CC(=O)NC1=CC=C(C=C1)O CC(=O)NC1=CC=C(C=C1)O +0409_00014 13.13 5094 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] +0409_00015 13.15 5486971 CC(C)C[C@@H](CC(=O)O)CN +0409_00016 13.21 4173 CC1=NC=C(N1CCO)[N+](=O)[O-] CC1=NC=C(N1CCO)[N+](=O)[O-] +0409_00017 13.21 5215 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0409_00018 13.29 3446 C1CCC(CC1)(CC(=O)O)CN C1CCC(CC1)(CC(=O)O)CN +0409_00019 13.33 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0409_00020 13.34 3000540 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O +0409_00021 13.39 2159 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC +0409_00022 13.48 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0409_00023 13.49 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +0409_00024 13.54 10836 C[C@@H](CC1=CC=CC=C1)NC +0409_00025 13.61 5284583 CC[C@@H](C(=O)N)N1CCCC1=O +0409_00026 13.62 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0409_00027 13.8 5336 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0409_00028 14.12 105039 CCNC(C)CC1=CC2=C(C=C1)OCO2 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mode 100644 index 000000000..2b70e2f27 --- /dev/null +++ b/raw_data/0410/0410_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0410 10.1007/s00216-015-8540-6 Submitted by Fangyuan Sun Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al ROASMI_30 column temperature diff --git a/raw_data/0410/0410_metadata.tsv b/raw_data/0410/0410_metadata.tsv new file mode 100644 index 000000000..2b7382928 --- /dev/null +++ b/raw_data/0410/0410_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0410 Waters Atlantis T3 L1 100.0 2.1 3 0.1 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0410/0410_metadata.yaml b/raw_data/0410/0410_metadata.yaml new file mode 100644 index 000000000..a746bb7af --- /dev/null +++ b/raw_data/0410/0410_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Waters Atlantis T3 + id: 2.1 + flowrate: 0.1 + usp.code: L1 + length: 100 + particle.size: '3' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.01 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.01 + unit: '%' +id: '0410' diff --git a/raw_data/0410/0410_rtdata.tsv b/raw_data/0410/0410_rtdata.tsv new file mode 100644 index 000000000..d39c90470 --- /dev/null +++ b/raw_data/0410/0410_rtdata.tsv @@ -0,0 +1,69 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0410_00001 3.04 4091 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CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0410_00014 12.1 5284603 CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O +0410_00015 12.47 5462507 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C +0410_00016 12.57 135398745 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C +0410_00017 12.62 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0410_00018 12.77 10836 C[C@@H](CC1=CC=CC=C1)NC +0410_00019 12.91 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0410_00020 12.92 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0410_00021 13.0 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0410_00022 13.19 5094 CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] CN1C(=CN=C1COC(=O)N)[N+](=O)[O-] +0410_00023 13.34 1983 CC(=O)NC1=CC=C(C=C1)O CC(=O)NC1=CC=C(C=C1)O +0410_00024 13.34 4173 CC1=NC=C(N1CCO)[N+](=O)[O-] CC1=NC=C(N1CCO)[N+](=O)[O-] +0410_00025 13.4 3676 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C 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0.3 0 100 diff --git a/raw_data/0411/0411_info.tsv b/raw_data/0411/0411_info.tsv new file mode 100644 index 000000000..5bdd0711a --- /dev/null +++ b/raw_data/0411/0411_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0411 10.1016/j.foodchem.2018.11.056 Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu ROASMI_18 diff --git a/raw_data/0411/0411_metadata.tsv b/raw_data/0411/0411_metadata.tsv new file mode 100644 index 000000000..44844c6b8 --- /dev/null +++ b/raw_data/0411/0411_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0411 Thermo Scientific Hypersil GOLD aQ L1 100.0 2.1 1.9 30.0 0.3 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100.0 0.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0411/0411_metadata.yaml b/raw_data/0411/0411_metadata.yaml new file mode 100644 index 000000000..f7f7d5efb --- /dev/null +++ b/raw_data/0411/0411_metadata.yaml @@ -0,0 +1,36 @@ +column: + name: Thermo Scientific Hypersil GOLD aQ + id: 2.1 + temperature: 30 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '1.9' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + nh4form: + value: 0 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' + nh4form: + value: 4 + unit: mM +id: '0411' diff --git a/raw_data/0411/0411_rtdata.tsv b/raw_data/0411/0411_rtdata.tsv new file mode 100644 index 000000000..a5e5dc44a --- /dev/null +++ b/raw_data/0411/0411_rtdata.tsv @@ -0,0 +1,51 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0411_00001 2.12 4696 C1C=C2C(=CC(=O)O2)C(O1)O C1C=C2C(=CC(=O)O2)C(O1)O +0411_00002 2.6 3840 C1=C(OC=C(C1=O)O)CO C1=C(OC=C(C1=O)O)CO +0411_00003 3.7 5284433 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO +0411_00004 3.76 3034745 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO +0411_00005 4.26 40024 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO +0411_00006 4.29 71312510 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO +0411_00007 4.69 304599 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO +0411_00008 4.77 119324 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C3=C)O2)O)C)CO +0411_00009 4.9 13818797 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C +0411_00010 5.25 10382483 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C +0411_00011 5.35 73484 CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C +0411_00012 5.48 6223 CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O +0411_00013 5.49 5458510 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO +0411_00014 5.77 15558498 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O +0411_00015 5.8 2724362 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +0411_00016 5.89 14421 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 +0411_00017 6.11 2724360 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +0411_00018 6.11 105137 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +0411_00019 6.11 23728435 CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O +0411_00020 6.14 312145 CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C +0411_00021 6.15 10007994 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +0411_00022 6.17 13797589 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO +0411_00023 6.26 186907 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 +0411_00024 6.37 73453 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +0411_00025 6.46 107715 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C +0411_00026 6.5 10875520 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +0411_00027 6.52 10093830 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C +0411_00028 6.53 54680783 C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C +0411_00029 6.55 31116 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C +0411_00030 6.55 7067483 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C +0411_00031 6.61 21608802 CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25 +0411_00032 6.66 5281143 C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C +0411_00033 6.77 446541 CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O +0411_00034 6.78 20966 C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 +0411_00035 6.78 5284461 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C +0411_00036 6.81 2733487 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O +0411_00037 6.86 6437352 C[C@H]1CCC[C@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O +0411_00038 6.875 22283 CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O +0411_00039 6.89 5359485 CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O +0411_00040 6.99 3034751 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@H]([C@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O +0411_00041 7.09 5284645 C[C@H]1CCC[C@@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O +0411_00042 7.1 108003 C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1 +0411_00043 7.16 5281576 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 +0411_00044 7.19 2733489 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O +0411_00045 7.23 6436023 C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O +0411_00046 7.33 13887805 CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C +0411_00047 7.49 5280389 COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O +0411_00048 7.51 45934402 CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C +0411_00049 7.52 6917655 CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C +0411_00050 7.81 105008 C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O diff --git a/raw_data/0411/0411_rtdata.tsv.old b/raw_data/0411/0411_rtdata.tsv.old new file mode 100644 index 000000000..5480e5b91 --- /dev/null +++ b/raw_data/0411/0411_rtdata.tsv.old @@ -0,0 +1,51 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +2.12 draft_01362_00001 4696 C1C=C2C(=CC(=O)O2)C(O1)O +2.6 draft_01362_00002 3840 C1=C(OC=C(C1=O)O)CO +3.7 draft_01362_00003 5284433 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO +3.76 draft_01362_00004 3034745 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO +4.26 draft_01362_00005 40024 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO +4.29 draft_01362_00006 71312510 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO +4.69 draft_01362_00007 304599 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO +4.77 draft_01362_00008 119324 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C3=C)O2)O)C)CO +4.9 draft_01362_00009 13818797 CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C +5.25 draft_01362_00010 10382483 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C +5.35 draft_01362_00011 73484 CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C +5.48 draft_01362_00012 6223 CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O +5.49 draft_01362_00013 5458510 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO +5.77 draft_01362_00014 15558498 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O +5.8 draft_01362_00015 2724362 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +5.89 draft_01362_00016 14421 COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 +6.11 draft_01362_00017 2724360 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 +6.11 draft_01362_00018 105137 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +6.11 draft_01362_00019 23728435 CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O +6.14 draft_01362_00020 312145 CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C +6.15 draft_01362_00021 10007994 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +6.17 draft_01362_00022 13797589 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO +6.26 draft_01362_00023 186907 COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 +6.37 draft_01362_00024 73453 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +6.46 draft_01362_00025 107715 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C +6.5 draft_01362_00026 10875520 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O +6.52 draft_01362_00027 10093830 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C +6.53 draft_01362_00028 54680783 C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C +6.55 draft_01362_00029 31116 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C +6.55 draft_01362_00030 7067483 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C +6.61 draft_01362_00031 21608802 CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25 +6.66 draft_01362_00032 5281143 C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C +6.77 draft_01362_00033 446541 CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O +6.78 draft_01362_00034 20966 C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 +6.78 draft_01362_00035 5284461 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C +6.81 draft_01362_00036 2733487 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O +6.86 draft_01362_00037 6437352 C[C@H]1CCC[C@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O +6.875 draft_01362_00038 22283 CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O +6.89 draft_01362_00039 5359485 CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O +6.99 draft_01362_00040 3034751 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@H]([C@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O +7.09 draft_01362_00041 5284645 C[C@H]1CCC[C@@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O +7.1 draft_01362_00042 108003 C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1 +7.16 draft_01362_00043 5281576 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 +7.19 draft_01362_00044 2733489 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O +7.23 draft_01362_00045 6436023 C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O +7.33 draft_01362_00046 13887805 CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C +7.49 draft_01362_00047 5280389 COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O +7.51 draft_01362_00048 45934402 CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C +7.52 draft_01362_00049 6917655 CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C +7.81 draft_01362_00050 105008 C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C)O diff --git a/raw_data/0412/0412_gradient.tsv b/raw_data/0412/0412_gradient.tsv new file mode 100644 index 000000000..94054e3d3 --- /dev/null +++ b/raw_data/0412/0412_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +8 0.3 0 100 +12 0.3 0 100 diff --git a/raw_data/0412/0412_info.tsv b/raw_data/0412/0412_info.tsv new file mode 100644 index 000000000..c4e0bbe2e --- /dev/null +++ b/raw_data/0412/0412_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0412 10.1016/j.foodchem.2015.11.070 Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich ROASMI_61 diff --git a/raw_data/0412/0412_metadata.tsv b/raw_data/0412/0412_metadata.tsv new file mode 100644 index 000000000..e50adcd31 --- /dev/null +++ b/raw_data/0412/0412_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0412 Thermo Scientific Hypersil GOLD aQ L1 100.0 2.1 1.9 30.0 0.3 100 0 0 0 0 0 0 0 0 0.01 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.01 % 0 0 0 0 4 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0412/0412_metadata.yaml b/raw_data/0412/0412_metadata.yaml new file mode 100644 index 000000000..ef04ce442 --- /dev/null +++ b/raw_data/0412/0412_metadata.yaml @@ -0,0 +1,36 @@ +column: + name: Thermo Scientific Hypersil GOLD aQ + id: 2.1 + temperature: 30 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '1.9' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.01 + unit: '%' + nh4form: + value: 4 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.01 + unit: '%' + nh4form: + value: 4 + unit: mM +id: '0412' diff --git a/raw_data/0412/0412_rtdata.tsv b/raw_data/0412/0412_rtdata.tsv new file mode 100644 index 000000000..3d1e63122 --- /dev/null +++ b/raw_data/0412/0412_rtdata.tsv @@ -0,0 +1,174 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0412_00001 1.585 1982 CC(=O)NP(=O)(OC)SC 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13450 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C CCNC1=NC(=NC(=N1)SC)NC(C)(C)C +0412_00159 9.63 40024 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO +0412_00160 9.715 16421 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] +0412_00161 9.715 8381 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 +0412_00162 9.735 10958189 CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C +0412_00163 9.785 32184 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 +0412_00164 9.84 17434 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC +0412_00165 9.87 38884 CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C +0412_00166 9.87 5281576 C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 +0412_00167 9.92 17531 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 +0412_00168 9.93 3289 CCCSP(=O)(OCC)SCCC +0412_00169 9.96 4130 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] +0412_00170 9.965 92299 CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C +0412_00171 9.995 31070 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C +0412_00172 9.995 91773 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C +0412_00173 10.035 86296 CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2 CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2 diff --git a/raw_data/0412/0412_rtdata.tsv.old b/raw_data/0412/0412_rtdata.tsv.old new file mode 100644 index 000000000..bbb7b482a --- /dev/null +++ b/raw_data/0412/0412_rtdata.tsv.old @@ -0,0 +1,174 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +1.585 draft_01362_00001 1982 CC(=O)NP(=O)(OC)SC +1.58 draft_01362_00002 15331 CN(C)NC(=O)CCC(=O)O +1.58 draft_01362_00003 4096 COP(=O)(N)SC +1.58 draft_01362_00004 9576037 CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 +1.795 draft_01362_00005 14210 CNC(=O)CSP(=O)(OC)OC +10.06 draft_01362_00006 17435 CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC +10.07 draft_01362_00007 19395 CCOP(=S)(OCC)OP(=S)(OCC)OCC +10.1 draft_01362_00008 6112114 CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC +10.145 draft_01362_00009 12968 CCCN(CCC)C(=O)SCC +10.185 draft_01362_00010 213032 CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4 +10.31 draft_01362_00011 5281555 CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C +10.195 draft_01362_00012 26124 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 +10.215 draft_01362_00013 51369 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 +10.22 draft_01362_00014 37995 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC +10.225 draft_01362_00015 43359 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC +10.235 draft_01362_00016 3017 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C +10.25 draft_01362_00017 3346 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC +10.28 draft_01362_00018 86367 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 +10.27 draft_01362_00019 443059 CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C +10.47 draft_01362_00020 135438605 CCC/C(=N\OCC)/C1=C(CC(CC1=O)C2CCCSC2)O +10.32 draft_01362_00021 91656 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O +10.32 draft_01362_00022 34526 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C +10.335 draft_01362_00023 6758 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC +10.39 draft_01362_00024 26033 CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C +10.43 draft_01362_00025 3118 CCOP(=S)(OCC)SCCSCC +10.46 draft_01362_00026 91752 CCC(C)SP(=O)(OCC)SC(C)CC +10.57 draft_01362_00027 14337 CCN(C1CCCCC1)C(=O)SCC +10.635 draft_01362_00028 62020 CCCN(CCC)C(=O)SCC1=CC=CC=C1 +10.64 draft_01362_00029 47759 CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C +10.68 draft_01362_00030 83975 CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C +10.695 draft_01362_00031 50367 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 +10.725 draft_01362_00032 31957 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C +10.73 draft_01362_00033 135491830 CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O +10.76 draft_01362_00034 15558638 CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C +10.775 draft_01362_00035 3286 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC +10.795 draft_01362_00036 5794 CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2 +11.1 draft_01362_00037 41384 CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C +10.905 draft_01362_00038 91753 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 +10.93 draft_01362_00039 9907412 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C +10.95 draft_01362_00040 4936 CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C +10.985 draft_01362_00041 37125 CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC +11.01 draft_01362_00042 3034380 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 +11.01 draft_01362_00043 47326 CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C +11.035 draft_01362_00044 5281045 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92299 CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C +9.995 draft_01362_00171 31070 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C +9.995 draft_01362_00172 91773 CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C +10.035 draft_01362_00173 86296 CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2 diff --git a/raw_data/0413/0413_gradient.tsv b/raw_data/0413/0413_gradient.tsv new file mode 100644 index 000000000..470734dc6 --- /dev/null +++ b/raw_data/0413/0413_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 90 10 +20 0.2 46 54 +23 0.2 0 100 +32 0.2 0 100 diff --git a/raw_data/0413/0413_info.tsv b/raw_data/0413/0413_info.tsv new file mode 100644 index 000000000..c7afaec1a --- /dev/null +++ b/raw_data/0413/0413_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0413 10.1016/j.jpba.2019.06.042 Submitted by Fangyuan Sun Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua ROASMI_6 column temperature diff --git a/raw_data/0413/0413_metadata.tsv b/raw_data/0413/0413_metadata.tsv new file mode 100644 index 000000000..589e33f6a --- /dev/null +++ b/raw_data/0413/0413_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0413 Agilent ZORBAX Eclipse Plus C18 L1 150.0 2.1 3.5 0.2 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0413/0413_metadata.yaml b/raw_data/0413/0413_metadata.yaml new file mode 100644 index 000000000..c41fe5bef --- /dev/null +++ b/raw_data/0413/0413_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Agilent ZORBAX Eclipse Plus C18 + id: 2.1 + flowrate: 0.2 + usp.code: L1 + length: 150 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0413' diff --git a/raw_data/0413/0413_rtdata.tsv b/raw_data/0413/0413_rtdata.tsv new file mode 100644 index 000000000..dd0774c89 --- /dev/null +++ b/raw_data/0413/0413_rtdata.tsv @@ -0,0 +1,36 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0413_00001 3.1 6508 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O +0413_00002 5.2 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +0413_00003 6.6 9798666 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O +0413_00004 8.8 5281643 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O +0413_00005 9.3 5274585 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O +0413_00006 9.7 5280805 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O +0413_00007 9.9 5280459 C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O +0413_00008 10.2 25079965 C[C@@H]1O[C@@H](Oc2cc(O)c3c(OC(=C(O)C3=O)c4ccc(O)cc4)c2)[C@H](O)[C@H](O)[C@H]1O +0413_00009 10.3 9930064 C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C +0413_00010 10.6 5280343 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O +0413_00011 11.6 439533 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 +0413_00012 12.2 5280681 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O +0413_00013 12.5 5320946 COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)cc3)O COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)O)O +0413_00014 13.5 5280863 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0413_00015 13.6 10414856 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)C4=C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O +0413_00016 14.0 122850 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 +0413_00017 14.9 5281600 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O +0413_00018 15.0 932 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +0413_00019 15.2 637775 COc1cc(\C=C\C(O)=O)cc(OC)c1O +0413_00020 15.4 5315778 CCC(C)C(=O)c1c(O)c(C)c(OC/C=C(C)/CCC=C(C)C)c(C(C)=O)c1O +0413_00021 15.6 9996463 CC1(C)Oc2cc(O)c3C(=O)c4ccc(O)c(O)c4Oc3c2C=C1 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)C +0413_00022 15.9 471721 COc1cc2OC(=C(OC)C(=O)c2c(OC)c1OC)c3ccccc3 +0413_00023 18.3 101708792 CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C/C=C(\C)/CCC=C(C)C)O +0413_00024 18.4 3082647 CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O +0413_00025 20.1 3082648 CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O +0413_00026 20.4 5471610 CC(=CC[C@H]1C[C@]2(C(=O)/C(=C(\C3=CC=CC=C3)/O)/C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C +0413_00027 20.5 5281426 C1=CC(=CC2=C1C=CC(=O)O2)O C1=CC(=CC2=C1C=CC(=O)O2)O +0413_00028 22.7 10748 COC1=CC2=C(C=C1)C=CC(=O)O2 COC1=CC2=C(C=C1)C=CC(=O)O2 +0413_00029 23.6 85225480 CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O +0413_00030 25.7 57490839 COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O +0413_00031 26.0 10228 CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C +0413_00032 26.9 5281663 Oc1cc(O)c2C(=O)c3cccc(O)c3Oc2c1 +0413_00033 28.8 5321880 CC(C)=CCc1c(O)cc(O)c2C(=O)c3ccc(O)c(O)c3Oc12 CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C +0413_00034 29.0 5464641 CC1(C)Oc2cc(O)c3C(=O)c4cccc(O)c4Oc3c2C=C1 CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C +0413_00035 31.6 161937 C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C diff --git a/raw_data/0413/0413_rtdata.tsv.old b/raw_data/0413/0413_rtdata.tsv.old new file mode 100644 index 000000000..01e7ed98c --- /dev/null +++ b/raw_data/0413/0413_rtdata.tsv.old @@ -0,0 +1,36 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +3.1 draft_01362_00001 6508 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O +5.2 draft_01362_00002 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +6.6 draft_01362_00003 9798666 C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O +8.8 draft_01362_00004 5281643 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O +9.3 draft_01362_00005 5274585 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O +9.7 draft_01362_00006 5280805 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O +9.9 draft_01362_00007 5280459 C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O +10.2 draft_01362_00008 25079965 C[C@@H]1O[C@@H](Oc2cc(O)c3c(OC(=C(O)C3=O)c4ccc(O)cc4)c2)[C@H](O)[C@H](O)[C@H]1O +10.3 draft_01362_00009 9930064 C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@@]2(O)C(=CC(=O)CC2(C)C)C +10.6 draft_01362_00010 5280343 Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O +11.6 draft_01362_00011 439533 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 +12.2 draft_01362_00012 5280681 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 +12.5 draft_01362_00013 5320946 COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)cc3)O +13.5 draft_01362_00014 5280863 Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 +13.6 draft_01362_00015 10414856 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)C4=C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6 +14 draft_01362_00016 122850 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 +14.9 draft_01362_00017 5281600 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5 +15 draft_01362_00018 932 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 +15.2 draft_01362_00019 637775 COc1cc(\C=C\C(O)=O)cc(OC)c1O +15.4 draft_01362_00020 5315778 CCC(C)C(=O)c1c(O)c(C)c(OC/C=C(C)/CCC=C(C)C)c(C(C)=O)c1O +15.6 draft_01362_00021 9996463 CC1(C)Oc2cc(O)c3C(=O)c4ccc(O)c(O)c4Oc3c2C=C1 +15.9 draft_01362_00022 471721 COc1cc2OC(=C(OC)C(=O)c2c(OC)c1OC)c3ccccc3 +18.3 draft_01362_00023 101708792 CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C/C=C(\C)/CCC=C(C)C)O +18.4 draft_01362_00024 3082647 CCC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)C)O +20.1 draft_01362_00025 3082648 CC1=C(C(=C(C(=C1O)C(=O)C(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O +20.4 draft_01362_00026 5471610 CC(=CC[C@H]1C[C@]2(C(=O)/C(=C(\C3=CC=CC=C3)/O)/C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C +20.5 draft_01362_00027 5281426 C1=CC(=CC2=C1C=CC(=O)O2)O +22.7 draft_01362_00028 10748 COC1=CC2=C(C=C1)C=CC(=O)O2 +23.6 draft_01362_00029 85225480 CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O +25.7 draft_01362_00030 57490839 COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)O +26 draft_01362_00031 10228 CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C +26.9 draft_01362_00032 5281663 Oc1cc(O)c2C(=O)c3cccc(O)c3Oc2c1 +28.8 draft_01362_00033 5321880 CC(C)=CCc1c(O)cc(O)c2C(=O)c3ccc(O)c(O)c3Oc12 +29 draft_01362_00034 5464641 CC1(C)Oc2cc(O)c3C(=O)c4cccc(O)c4Oc3c2C=C1 +31.6 draft_01362_00035 161937 C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C diff --git a/raw_data/0414/0414_gradient.tsv b/raw_data/0414/0414_gradient.tsv new file mode 100644 index 000000000..b55a2c3ca --- /dev/null +++ b/raw_data/0414/0414_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.5 90 10 +3 0.5 90 10 +25 0.5 0 100 +28 0.5 0 100 diff --git a/raw_data/0414/0414_info.tsv b/raw_data/0414/0414_info.tsv new file mode 100644 index 000000000..769c1f1fd --- /dev/null +++ b/raw_data/0414/0414_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0414 10.1016/j.chroma.2014.05.003 Submitted by Fangyuan Sun José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz ROASMI_67 column temperature diff --git a/raw_data/0414/0414_metadata.tsv b/raw_data/0414/0414_metadata.tsv new file mode 100644 index 000000000..84df4fc55 --- /dev/null +++ b/raw_data/0414/0414_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0414 Agilent ZORBAX Eclipse Plus C18 L1 50.0 4.6 1.8 0.5 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0414/0414_metadata.yaml b/raw_data/0414/0414_metadata.yaml new file mode 100644 index 000000000..ae465efd9 --- /dev/null +++ b/raw_data/0414/0414_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Agilent ZORBAX Eclipse Plus C18 + id: 4.6 + flowrate: 0.5 + usp.code: L1 + length: 50 + particle.size: '1.8' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0414' diff --git a/raw_data/0414/0414_rtdata.tsv b/raw_data/0414/0414_rtdata.tsv new file mode 100644 index 000000000..af29837fb --- /dev/null +++ b/raw_data/0414/0414_rtdata.tsv @@ -0,0 +1,247 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0414_00001 0.92 4091 CN(C)C(=N)N=C(N)N CN(C)C(=N)N=C(N)N +0414_00002 1.35 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +0414_00003 1.36 89594 CN1CCC[C@H]1C2=CN=CC=C2 +0414_00004 1.36 47866 C1CC1NC2=NC(=NC(=N2)N)N C1CC1NC2=NC(=NC(=N2)N)N +0414_00005 1.36 1639 C1=NNC(=N1)N C1=NNC(=N1)N +0414_00006 1.36 7111 C1=CC(=CC=C1C2=CC=C(C=C2)N)N C1=CC(=CC=C1C2=CC=C(C=C2)N)N +0414_00007 1.36 6041 CNC[C@@H](C1=CC(=CC=C1)O)O +0414_00008 1.4 6035169 CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 +0414_00009 1.47 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +0414_00010 1.47 70639 CN1C2=C(C(=O)NC1=O)NC=N2 CN1C2=C(C(=O)NC1=O)NC=N2 +0414_00011 1.61 4096 COP(=O)(N)SC COP(=O)(N)SC +0414_00012 1.63 2083 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O +0414_00013 1.76 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0414_00014 1.81 3325 C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N +0414_00015 1.82 5333 C1=CC(=CC=C1N)S(=O)(=O)N C1=CC(=CC=C1N)S(=O)(=O)N +0414_00016 1.83 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N CC1=C(N=CN1)CSCCNC(=NC)NC#N +0414_00017 1.85 16247 CC1=C(C=CC(=C1)OC(=O)NC)N(C)C CC1=C(C=CC(=C1)OC(=O)NC)N(C)C +0414_00018 1.86 1982 CC(=O)NP(=O)(OC)SC CC(=O)NP(=O)(OC)SC +0414_00019 1.96 5429 CN1C=NC2=C1C(=O)NC(=O)N2C CN1C=NC2=C1C(=O)NC(=O)N2C +0414_00020 2.02 35970 CN(C)C1CSSSC1 CN(C)C1CSSSC1 +0414_00021 2.03 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +0414_00022 2.21 6046 C1COCCN1N=O C1COCCN1N=O +0414_00023 2.22 14210 CNC(=O)CSP(=O)(OC)OC CNC(=O)CSP(=O)(OC)OC +0414_00024 2.3 32490 CCCOC(=O)NCCCN(C)C CCCOC(=O)NCCCN(C)C +0414_00025 2.39 2151 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N +0414_00026 2.66 1983 CC(=O)NC1=CC=C(C=C1)O CC(=O)NC1=CC=C(C=C1)O +0414_00027 2.66 13591 C1CCN(C1)N=O C1CCN(C1)N=O +0414_00028 2.7 5367980 CC(C)(/C=N/OC(=O)NC)S(=O)C +0414_00029 2.77 4173 CC1=NC=C(N1CCO)[N+](=O)[O-] CC1=NC=C(N1CCO)[N+](=O)[O-] +0414_00030 2.78 9294 C[C@@H]([C@@H](C1=CC=CC=C1)O)NC +0414_00031 2.8 2153 CN1C2=C(C(=O)N(C1=O)C)NC=N2 CN1C2=C(C(=O)N(C1=O)C)NC=N2 +0414_00032 3.16 5284371 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O +0414_00033 3.27 25429 COC(=O)NC1=NC2=CC=CC=C2N1 COC(=O)NC1=NC2=CC=CC=C2N1 +0414_00034 3.66 3000540 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O +0414_00035 3.82 3007 CC(CC1=CC=CC=C1)N CC(CC1=CC=CC=C1)N +0414_00036 4.16 5215 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0414_00037 4.36 5362527 CC(/C(=N/OC(=O)NC)/C)S(=O)(=O)C +0414_00038 4.54 5430 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 +0414_00039 4.74 1614 CC(CC1=CC2=C(C=C1)OCO2)N CC(CC1=CC2=C(C=C1)OCO2)N +0414_00040 4.78 4831 CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O +0414_00041 4.81 5368053 CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C +0414_00042 4.88 10836 C[C@@H](CC1=CC=CC=C1)NC +0414_00043 4.94 5462507 CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C +0414_00044 5.08 2519 CN1C=NC2=C1C(=O)N(C(=O)N2C)C CN1C=NC2=C1C(=O)N(C(=O)N2C)C +0414_00045 5.19 19756 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 +0414_00046 5.2 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +0414_00047 5.27 5336 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0414_00048 5.39 1615 CC(CC1=CC2=C(C=C1)OCO2)NC CC(CC1=CC2=C(C=C1)OCO2)NC +0414_00049 5.39 5360521 C/C(=N\OC(=O)NC)/SC +0414_00050 5.43 18752 COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N +0414_00051 5.55 4828 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O CC(C)NCC(COC1=CC=CC2=C1C=CN2)O +0414_00052 5.55 5371562 C/C(=C\C(=O)NC)/OP(=O)(OC)OC +0414_00053 5.6 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0414_00054 5.73 5325 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0414_00055 5.83 5359271 CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1 +0414_00056 5.85 9982 CCNC(C)CC1=CC=CC=C1 CCNC(C)CC1=CC=CC=C1 +0414_00057 5.94 6896 CC1=C(C(=CC=C1)C)N CC1=C(C(=CC=C1)C)N +0414_00058 6.11 54675779 C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O +0414_00059 6.16 105039 CCNC(C)CC1=CC2=C(C=C1)OCO2 CCNC(C)CC1=CC2=C(C=C1)OCO2 +0414_00060 6.29 5479527 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O +0414_00061 6.29 174174 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 +0414_00062 6.32 136662877 COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] +0414_00063 6.41 5371560 C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC +0414_00064 6.57 7526 C1CCN(CC1)N=O C1CCN(CC1)N=O +0414_00065 6.61 448223 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O +0414_00066 6.62 54675776 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O +0414_00067 6.86 31645 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C +0414_00068 6.87 33624 CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O +0414_00069 6.97 2206 CC1=CC(=O)N(N1C)C2=CC=CC=C2 CC1=CC(=O)N(N1C)C2=CC=CC=C2 +0414_00070 7.12 5328 CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N +0414_00071 7.3 446220 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC +0414_00072 7.57 38854 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 +0414_00073 7.59 5289394 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C +0414_00074 7.72 7560 CN(C)C(=O)NC1=CC=CC=C1 CN(C)C(=O)NC1=CC=CC=C1 +0414_00075 7.87 27975 CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C +0414_00076 7.93 6249 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C +0414_00077 8.04 86137 CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C +0414_00078 8.14 15478 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O +0414_00079 8.64 40854 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CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC diff --git a/raw_data/0414/0414_rtdata.tsv.old b/raw_data/0414/0414_rtdata.tsv.old new file mode 100644 index 000000000..3375e65dd --- /dev/null +++ b/raw_data/0414/0414_rtdata.tsv.old @@ -0,0 +1,247 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +0.92 draft_01362_00001 4091 CN(C)C(=N)N=C(N)N +1.35 draft_01362_00002 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +1.36 draft_01362_00003 89594 CN1CCC[C@H]1C2=CN=CC=C2 +1.36 draft_01362_00004 47866 C1CC1NC2=NC(=NC(=N2)N)N +1.36 draft_01362_00005 1639 C1=NNC(=N1)N +1.36 draft_01362_00006 7111 C1=CC(=CC=C1C2=CC=C(C=C2)N)N +1.36 draft_01362_00007 6041 CNC[C@@H](C1=CC(=CC=C1)O)O +1.4 draft_01362_00008 6035169 CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 +1.47 draft_01362_00009 5288826 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O +1.47 draft_01362_00010 70639 CN1C2=C(C(=O)NC1=O)NC=N2 +1.61 draft_01362_00011 4096 COP(=O)(N)SC +1.63 draft_01362_00012 2083 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draft_01362_00182 2268 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 +15.71 draft_01362_00183 64715 CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O +15.81 draft_01362_00184 3034285 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC +15.87 draft_01362_00185 5921 CCN(CC)N=O +15.87 draft_01362_00186 13542 CCCCN(CCCC)N=O +16.01 draft_01362_00187 91716 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 +16.03 draft_01362_00188 16653 CCSC(=O)N1CCCCCC1 +16.05 draft_01362_00189 6918092 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O +16.12 draft_01362_00190 8381 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 +16.24 draft_01362_00191 8754 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +16.3 draft_01362_00192 7017 C1=CC=C(C=C1)C2=CC=CC=C2O +16.31 draft_01362_00193 27189 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 +16.34 draft_01362_00194 4130 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] +16.48 draft_01362_00195 73672 CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC +16.48 draft_01362_00196 54738 CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C +16.58 draft_01362_00197 3672 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O +16.58 draft_01362_00198 105010 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C +16.59 draft_01362_00199 91656 CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O +16.61 draft_01362_00200 176879 CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC +17 draft_01362_00201 51605 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 +17.02 draft_01362_00202 4004 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC +17.02 draft_01362_00203 29393 CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] +17.07 draft_01362_00204 32184 CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 +17.16 draft_01362_00205 4781 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 +17.18 draft_01362_00206 6758 CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC +17.19 draft_01362_00207 11487 C1=CC=C(C=C1)NC2=CC=CC=C2 +17.2 draft_01362_00208 31200 CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] +17.45 draft_01362_00209 17531 CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1 +17.62 draft_01362_00210 28292 CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2 +17.68 draft_01362_00211 43359 CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC +17.69 draft_01362_00212 4044 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C +17.78 draft_01362_00213 17434 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC +18.02 draft_01362_00214 5483874 CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC +18.07 draft_01362_00215 3463 CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O +18.09 draft_01362_00216 51369 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2 +18.16 draft_01362_00217 26124 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 +18.28 draft_01362_00218 13450 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C +18.3 draft_01362_00219 50367 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2 +18.35 draft_01362_00220 8756 CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +18.43 draft_01362_00221 31357 CCCCOP(=O)(OCCCC)OCCCC +18.5 draft_01362_00222 991 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] +18.54 draft_01362_00223 3346 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC +18.59 draft_01362_00224 12932 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 +18.81 draft_01362_00225 37995 CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC +18.82 draft_01362_00226 3017 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C +18.98 draft_01362_00227 34526 CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C +19.06 draft_01362_00228 107885 CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O +19.28 draft_01362_00229 19395 CCOP(=S)(OCC)OP(=S)(OCC)OCC +19.64 draft_01362_00230 14215 CCCCN(CC)C(=O)SCCC +19.78 draft_01362_00231 14337 CCN(C1CCCCC1)C(=O)SCC +19.97 draft_01362_00232 16421 CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] +20.4 draft_01362_00233 62020 CCCN(CCC)C(=O)SCC1=CC=CC=C1 +20.63 draft_01362_00234 31203 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +20.8 draft_01362_00235 54886 CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C +21.17 draft_01362_00236 44460585 CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C +21.19 draft_01362_00237 5392 COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC +21.21 draft_01362_00238 644019 CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O +21.22 draft_01362_00239 91753 CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3 +21.7 draft_01362_00240 3286 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC +21.71 draft_01362_00241 54676884 C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 +22 draft_01362_00242 86356 CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32 +22.3 draft_01362_00243 3034380 CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 +23.07 draft_01362_00244 9907412 CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C +23.61 draft_01362_00245 16078 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O +27.48 draft_01362_00246 8343 CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC diff --git a/raw_data/0415/0415_gradient.tsv b/raw_data/0415/0415_gradient.tsv new file mode 100644 index 000000000..838feb7e6 --- /dev/null +++ b/raw_data/0415/0415_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 98 2 +1 0.3 98 2 +2 0.3 80 20 +16.5 0.3 2 98 +22 0.3 2 98 diff --git a/raw_data/0415/0415_info.tsv b/raw_data/0415/0415_info.tsv new file mode 100644 index 000000000..d9ec3989f --- /dev/null +++ b/raw_data/0415/0415_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0415 10.1016/j.chroma.2015.11.014 Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes ROASMI_83 diff --git a/raw_data/0415/0415_metadata.tsv b/raw_data/0415/0415_metadata.tsv new file mode 100644 index 000000000..fae8f8ff1 --- /dev/null +++ b/raw_data/0415/0415_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0415 Agilent ZORBAX Eclipse Plus C18 L1 150.0 2.1 3.5 40.0 0.3 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98.0 2.0 0 0 2.0 98.0 0 0 % % % % diff --git a/raw_data/0415/0415_metadata.yaml b/raw_data/0415/0415_metadata.yaml new file mode 100644 index 000000000..2285b91c4 --- /dev/null +++ b/raw_data/0415/0415_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Agilent ZORBAX Eclipse Plus C18 + id: 2.1 + temperature: 40 + flowrate: 0.3 + usp.code: L1 + length: 150 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0415' diff --git a/raw_data/0415/0415_rtdata.tsv b/raw_data/0415/0415_rtdata.tsv new file mode 100644 index 000000000..5572ef75b --- /dev/null +++ b/raw_data/0415/0415_rtdata.tsv @@ -0,0 +1,668 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0415_00001 2.357 791 CCC(C)C(N)C(O)=O CCC(C)C(C(=O)O)N +0415_00002 6.9 8143 CCCCCCCCN CCCCCCCCN +0415_00003 7.622 4754 CCOc1ccc(cc1)N=C(C)O CCOC1=CC=C(C=C1)NC(=O)C +0415_00004 4.936 2153 CN1C(=O)N(C)c2[nH]cnc2C1=O CN1C2=C(C(=O)N(C1=O)C)NC=N2 +0415_00005 5.509 2519 Cn1cnc2N(C)C(=O)N(C)C(=O)c12 CN1C=NC2=C1C(=O)N(C(=O)N2C)C +0415_00006 5.242 5429 Cn1cnc2N(C)C(=O)N=C(O)c12 CN1C=NC2=C1C(=O)NC(=O)N2C +0415_00007 5.064 4687 Cn1cnc2N=C(O)N(C)C(=O)c12 CN1C=NC2=C1C(=O)N(C(=O)N2)C +0415_00008 5.696 10742 COc1cc(cc(OC)c1O)C(O)=O COC1=CC(=CC(=C1O)OC)C(=O)O +0415_00009 9.418 5281654 COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0415_00010 10.093 5280378 COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O +0415_00011 12.61 3102 O=C(c1ccccc1)c2ccccc2 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 +0415_00012 5.62 135 OC(=O)c1ccc(O)cc1 C1=CC(=CC=C1C(=O)O)O +0415_00013 7.56 243 OC(=O)c1ccccc1 C1=CC=C(C=C1)C(=O)O +0415_00014 7.886 338 OC(=O)c1ccccc1O C1=CC=C(C(=C1)C(=O)O)O +0415_00015 2.078 311 OC(=O)CC(O)(CC(O)=O)C(O)=O C(C(=O)O)C(CC(=O)O)(C(=O)O)O +0415_00016 5.22 196 OC(=O)CCCCC(O)=O C(CCC(=O)O)CC(=O)O +0415_00017 2.079 1175 Oc1[nH]c2nc(O)nc(O)c2n1 C12=C(NC(=O)N1)NC(=O)NC2=O +0415_00018 11.048 5281607 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O +0415_00019 5.732 5281416 Oc1cc2OC(=O)C=Cc2cc1O C1=CC(=O)OC2=CC(=C(C=C21)O)O +0415_00020 7.744 5281708 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O +0415_00021 9.18 932 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +0415_00022 8.766 4788 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O +0415_00023 2.43 1188 Oc1nc(O)c2nc[nH]c2n1 C1=NC2=C(N1)C(=O)NC(=O)N2 +0415_00024 1.218 1639 N=C1NNC=N1 C1=NNC(=N1)N +0415_00025 1.291 70807 O[S](=O)(=O)CCCN1CCOCC1 C1COCCN1CCCS(=O)(=O)O +0415_00026 1.3 5987 N[S](O)(=O)=O NS(=O)(=O)O +0415_00027 1.341 5245486 CCN1[CH]N(C)C=C1 CCN1CN(C=C1)C +0415_00028 1.521 4091 CN(C)C(=N)NC(N)=N CN(C)C(=N)N=C(N)N +0415_00029 2.062 135402036 OC1C(O)C(OC1CO[P](O)(O)=O)n2cnc3c(O)ncnc23 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O +0415_00030 2.094 4231851 Nc1ncnc2n(cnc12)C3OC(CO[P+]([O-])([O-])O[P+](O)([O-])OCC4OC(C(O)C4O)[n+]5cccc(c5)C(O)=N)C(O)C3O C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N +0415_00031 2.11 1054 Cc1ncc(CO)c(CO)c1O CC1=NC=C(C(=C1O)CO)CO +0415_00032 2.12 60172 Nc1ncnc2n(CCOC[P+](O)(O)[O-])cnc12 C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N +0415_00033 2.138 7261 Cc1ccc(N)cc1N CC1=C(C=C(C=C1)N)N +0415_00034 2.162 104301 CC1(C)CC(O)CC(C)(C)N1CCO CC1(CC(CC(N1CCO)(C)C)O)C +0415_00035 2.173 621 Nc1ncnc2n(cnc12)C3CC(O)C(CO[P](O)(O)=O)O3 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O +0415_00036 2.181 4075 Nc1ccc(O)c(c1)C(O)=O C1=CC(=C(C=C1N)C(=O)O)O +0415_00037 2.235 135398740 OCC(CO)OCn1cnc2C(=NC(=N)Nc12)O C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N +0415_00038 2.315 135398734 CCN=C1NC(=NC(=N)N1)O CCNC1=NC(=O)NC(=N1)N +0415_00039 2.342 70315 CN1C(=N)Nc2[nH]cnc2C1=O CN1C(=O)C2=C(N=CN2)N=C1N +0415_00040 2.36 135398646 Cn1cnc2ncnc2c1N CN1C=NC2=C(C1=N)NC=N2 +0415_00041 2.378 70975 Cn1cnc2c(O)nc(O)nc12 CN1C=NC2=C1NC(=O)NC2=O +0415_00042 2.43 135403591 Cn1cnc2C(=NC(=N)Nc12)O CN1C=NC2=C1N=C(NC2=O)N +0415_00043 2.456 18347899 OC(=O)C1OC(CS1)N2C=CC(=N)N=C2O C1C(OC(S1)C(=O)O)N2C=CC(=NC2=O)N +0415_00044 2.566 1044 [nH]1cnc2cncnc12 C1=C2C(=NC=N1)N=CN2 +0415_00045 2.597 135398748 OCC(CO)CCn1cnc2C(=NC(=N)Nc12)O C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N +0415_00046 2.615 4843 OC(=N)CN1CCCC1=O C1CC(=O)N(C1)CC(=O)N +0415_00047 2.689 2723601 SC1=NC(=N)Nc2[nH]cnc12 C1=NC2=C(N1)C(=S)N=C(N2)N +0415_00048 2.73 4782 CNCC(O)c1cccc(O)c1 CNCC(C1=CC(=CC=C1)O)O +0415_00049 2.771 64987 CC(Cn1cnc2c(N)ncnc12)OC[P+](O)(O)[O-] CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O +0415_00050 2.824 13220 CC1(C)CC(=O)CC(C)(C)N1 CC1(CC(=O)CC(N1)(C)C)C +0415_00051 2.831 15914 C[N+](C)(C)c1ccccc1 C[N+](C)(C)C1=CC=CC=C1 +0415_00052 2.85 135398752 OC1=NC(=O)N=C2NNC=C12 C1=NNC2=C1C(=O)NC(=O)N2 +0415_00053 2.92 135508007 OC(=O)COCn1cnc2C(=NC(=N)Nc12)O C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N +0415_00054 2.941 62986 CNC(NCC[S](=O)Cc1oc(CN(C)C)cc1)=C[N+]([O-])=O CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C +0415_00055 3.086 15295 O[P+](O)([O-])c1ccccc1 C1=CC=C(C=C1)P(=O)(O)O +0415_00056 3.105 3877 OCC1OC(CS1)N2C=CC(=N)N=C2O C1C(OC(S1)CO)N2C=CC(=NC2=O)N +0415_00057 3.123 143869441 OCCOCn1cnc2C(O)NC(=N)Nc12 C1=NC2=C(N1COCCO)NC(=NC2O)N +0415_00058 3.148 135402034 OCC1OC(C(O)C1O)n2cnc3C(=NC(=N)Nc23)O C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N +0415_00059 3.149 135401907 Oc1ncnc2n[nH]cc12 C1=NNC2=C1C(=O)NC=N2 +0415_00060 3.196 191 Nc1ncnc2n(cnc12)C3OC(CO)C(O)C3O C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N +0415_00061 3.214 53855778 CC(C)NCC(O)COc1ccc(cc1)C(O)C(O)=N CC(C)NCC(COC1=CC=C(C=C1)C(C(=O)N)O)O +0415_00062 3.227 1135 Cc1cnc(O)nc1O CC1=CNC(=O)NC1=O +0415_00063 3.397 636 Nc1ncnc2n(cnc12)C3CC(O)C(CO)O3 C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O +0415_00064 3.47 12793 O[P](O)(=O)Oc1ccccc1 C1=CC=C(C=C1)OP(=O)(O)O +0415_00065 3.47 6491 CC1(C)N=C(O)N=C1O CC1(C(=O)NC(=O)N1)C +0415_00066 3.674 785 Oc1ccc(O)cc1 C1=CC(=CC=C1O)O +0415_00067 4.02 1268107 Oc1nc(S)c2nc[nH]c2n1 C1=NC2=C(N1)C(=S)NC(=O)N2 +0415_00068 4.073 7421 CN(C)c1cccc(O)c1 CN(C)C1=CC(=CC=C1)O +0415_00069 4.09 135402018 OCC1OC(CC1O)n2cnc3C(=NC(=N)Nc23)O C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O +0415_00070 4.125 36573 CC1=CC(=N[S](=O)(=O)O1)O CC1=CC(=O)NS(=O)(=O)O1 +0415_00071 4.181 135402019 OCC1OC(CC1O)n2cnc3c(O)ncnc23 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O +0415_00072 4.236 17938176 CCCCN1[CH]C=CC=C1 CCCCN1CC=CC=C1 +0415_00073 4.251 1136 Cc1ncsc1CCO CC1=C(SC=N1)CCO +0415_00074 4.267 11009533 CCCC[N+]1(C)CCCC1 CCCC[N+]1(CCCC1)C +0415_00075 4.291 12877207 COC(O)=Nc1cccc(N)c1 COC(=O)NC1=CC=CC(=C1)N +0415_00076 4.313 135432358 OCC1OC(C(O)C1O)N2NC=C3C(=O)N=CN=C23 C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O +0415_00077 4.346 1189 OCC1OC(C(O)C1O)n2cnc3c(O)nc(O)nc23 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O +0415_00078 4.346 13639 C1CN=C(N1)c2ccccc2 C1CN=C(N1)C2=CC=CC=C2 +0415_00079 4.412 66172 CC1=CC(=N)NO1 CC1=CC(=NO1)N +0415_00080 4.419 7681 CN(C)Cc1ccccc1 CN(C)CC1=CC=CC=C1 +0415_00081 4.424 28377678 COC(O)=Nc1cccc(N)c1C CC1=C(C=CC=C1NC(=O)OC)N +0415_00082 4.437 68374 Cn1cnc2nc(O)nc(O)c12 CN1C=NC2=C1C(=O)NC(=O)N2 +0415_00083 4.455 84786 CC(O)=Nc1cc(N)cc(c1)C(O)=O CC(=O)NC1=CC(=CC(=C1)N)C(=O)O +0415_00084 4.459 5964 C[N+](C)(C)Cc1ccccc1 C[N+](C)(C)CC1=CC=CC=C1 +0415_00085 4.471 161950 CC(O)=Nc1ccc(O)c(O)c1 CC(=O)NC1=CC(=C(C=C1)O)O +0415_00086 4.473 2942 CN(C)NN=C1N=CN=C1C(N)=O CN(C)N=NC1=C(NC=N1)C(=O)N +0415_00087 4.48 5432 CC1=NC=C(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(CC2=CN=C(C)NC2=N)C=O)C(=N)N1 CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C +0415_00088 4.49 2749 CC1=CC(=O)N(O)C(=C1)C2CCCCC2 CC1=CC(=O)N(C(=C1)C2CCCCC2)O +0415_00089 4.502 1982 CO[P+]([O-])(SC)N=C(C)O CC(=O)NP(=O)(OC)SC +0415_00090 4.502 70639 CN1C(=O)N=C(O)c2nc[nH]c12 CN1C2=C(C(=O)NC1=O)NC=N2 +0415_00091 4.533 1134 CC1=CN(C2CC(O)C(CO)O2)C(=O)N=C1O CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O +0415_00092 4.546 5403 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O +0415_00093 4.565 135783861 CN(C)c1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1 CN(C)C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O +0415_00094 4.58 4022661 CC(O)=Nc1ccc(OC2OC(C(O)C(O)C2O)C(O)=O)cc1 CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O +0415_00095 4.583 5253 CC(C)NCC(O)c1ccc(N[S](C)(=O)=O)cc1 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O +0415_00096 4.583 500249 COC(=O)C1CCC(=N1)O COC(=O)C1CCC(=O)N1 +0415_00097 4.607 222669 CCOC(=O)C1=CNC(=N)NC1=N CCOC(=O)C1=CN=C(N=C1N)N +0415_00098 4.619 5504 C1CN=C(Cc2ccccc2)N1 C1CN=C(N1)CC2=CC=CC=C2 +0415_00099 4.619 2249 CC(C)NCC(O)COc1ccc(CC(O)=N)cc1 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0415_00100 4.628 312546 CC(C)(C)[P+](O)(O)[O-] CC(C)(C)P(=O)(O)O +0415_00101 4.656 4342487 CCCC[N+]1(C)CCCCC1 CCCC[N+]1(CCCCC1)C +0415_00102 4.656 76789 COc1cc(N)nc(OC)n1 COC1=NC(=NC(=C1)N)OC +0415_00103 4.656 94721 OC(=O)c1c2ccccc2nc3ccccc13 C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O +0415_00104 4.674 14419064 CC1(C)CC(CC(C)(C)N1)N(CCCCCCN(C=O)C2CC(C)(C)NC(C)(C)C2)C=O CC1(CC(CC(N1)(C)C)N(CCCCCCN(C=O)C2CC(NC(C2)(C)C)(C)C)C=O)C +0415_00105 4.675 7155 Cc1ccccc1NC(=N)NC(N)=N CC1=CC=CC=C1N=C(N)N=C(N)N +0415_00106 4.69 2083 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O +0415_00107 4.692 3417419 Nc1ccc(O)c(c1)[N+]([O-])=O C1=CC(=C(C=C1N)[N+](=O)[O-])O +0415_00108 4.698 9989939 CC(=C)C([O-])=NCCC[N+](C)(C)C CC(=C)C(=NCCC[N+](C)(C)C)[O-] +0415_00109 4.706 2171 CC1(C)SC2C(N=C(O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C +0415_00110 4.71 6009 CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C +0415_00111 4.729 1326 Cn1cnc2C(=O)N(C)C(=O)N(C)c12 CN1C=NC2=C1N(C(=O)N(C2=O)C)C +0415_00112 4.733 2782664 CCCCN1C=CN(C)[C]1C CCCCN1C=CN(C1C)C +0415_00113 4.753 2725073 NCC(O)COc1ccccc1 C1=CC=C(C=C1)OCC(CN)O +0415_00114 4.769 163116 CNCc1oc(CSCCNC(NC)=C[N+]([O-])=O)cc1 CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC +0415_00115 4.77 76839 CCCC[P+](O)(O)[O-] CCCCP(=O)(O)O +0415_00116 4.783 2151 CN1N(c2ccccc2)C(=O)C(=C1C)N CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N +0415_00117 4.783 10423570 COc1cc(CC2=CNC(=N)NC2=N)cc(OC)c1O COC1=CC(=CC(=C1O)OC)CC2=CN=C(N=C2N)N +0415_00118 4.785 149 CSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O +0415_00119 4.787 13624 N=C1Nc2ccccc2N1 C1=CC=C2C(=C1)NC(=N2)N +0415_00120 4.802 43309290 COCCOC(O)=Nc1cccc(N)c1 COCCOC(=O)NC1=CC=CC(=C1)N +0415_00121 4.808 4173 Cc1ncc(n1CCO)[N+]([O-])=O CC1=NC=C(N1CCO)[N+](=O)[O-] +0415_00122 4.819 10618 CNC1=C(C)N(C)N(C1=O)c2ccccc2 CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC +0415_00123 4.823 13035 CC1(C)CCCC(C)(C)N1 CC1(CCCC(N1)(C)C)C +0415_00124 4.832 5039 CNC(NCCSCc1oc(CN(C)C)cc1)=C[N+]([O-])=O CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C +0415_00125 4.84 74603440 CNCC(CC(C)C)CC(O)=O CC(C)CC(CC(=O)O)CNC +0415_00126 4.856 5467 CCN(CC)CCN=C(O)c1cc(ccc1OC)[S](C)(=O)=O CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC +0415_00127 4.863 12731941 CCOC(=O)Nc1ccc(N)cc1 CCOC(=O)NC1=CC=C(C=C1)N +0415_00128 4.875 3928 CCCC1CC(N(C)C1)C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O +0415_00129 4.875 3446 NCC1(CCCCC1)CC(O)=O C1CCC(CC1)(CC(=O)O)CN +0415_00130 4.893 10313 ON=C(O)c1ccccc1 C1=CC=C(C=C1)C(=O)NO +0415_00131 4.893 62936 CC(C)NCC(O)COc1ccc(CC(O)=O)cc1 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O +0415_00132 4.91 86863 OC(=O)C(C1CCCCN1)c2ccccc2 C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O +0415_00133 4.911 4915 CNNCc1ccc(cc1)C(=O)NC(C)C CC(C)NC(=O)C1=CC=C(C=C1)CNNC +0415_00134 4.912 70976 CSC1=NC(=N)Nc2[nH]cnc12 CSC1=NC(=NC2=C1NC=N2)N +0415_00135 4.93 18674614 CN1[CH]N(Cc2ccccc2)C=C1 CN1CN(C=C1)CC2=CC=CC=C2 +0415_00136 4.958 5355 CCN1CCCC1CN=C(O)c2cc(ccc2OC)[S](N)(=O)=O CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC +0415_00137 4.966 1150 NCCc1c[nH]c2ccccc12 C1=CC=C2C(=C1)C(=CN2)CCN +0415_00138 4.966 21453 COc1ccc(CC2=CNC(=N)NC2=N)cc1OC COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC +0415_00139 4.966 10541 CO[P+]([O-])(OC)OC COP(=O)(OC)OC +0415_00140 4.984 4112 CN(CC1=NC2=C(N)NC(=N)N=C2N=C1)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O +0415_00141 5.021 3913 C1CN2CC(N=C2S1)c3ccccc3 C1CSC2=NC(CN21)C3=CC=CC=C3 +0415_00142 5.021 12849769 COc1cc(CC2=CNC(=N)NC2=N)cc(O)c1OC COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N +0415_00143 5.022 1983 CC(O)=Nc1ccc(O)cc1 CC(=O)NC1=CC=C(C=C1)O +0415_00144 5.039 33919 O[S](=O)(=O)c1ccc2nc([nH]c2c1)c3ccccc3 C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O +0415_00145 5.039 81312 O[P+](O)([O-])Cc1ccccc1 C1=CC=C(C=C1)CP(=O)(O)O +0415_00146 5.057 81295 CN1C(=O)N=C(O)C1(C)C CC1(C(=O)NC(=O)N1C)C +0415_00147 5.057 5149725 COc1ccc2CC3C4C=CC(=O)C5Oc1c2C45CCN3C CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4 +0415_00148 5.057 114962 COCC(O)c1ccc(OCC(O)CNC(C)C)cc1 CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O +0415_00149 5.069 7533 O[S](=O)(=O)NC1CCCCC1 C1CCC(CC1)NS(=O)(=O)O +0415_00150 5.075 25429 COC(O)=Nc1[nH]c2ccccc2n1 COC(=O)NC1=NC2=CC=CC=C2N1 +0415_00151 5.082 20120699 CCOC(O)=Nc1cccc(N)c1C CCOC(=O)NC1=CC=CC(=C1C)N +0415_00152 5.094 17208 CC[N+](CC)(CC)Cc1ccccc1 CC[N+](CC)(CC)CC1=CC=CC=C1 +0415_00153 5.094 1971 OCC1CC(C=C1)N2C=NC3=C(NC4CC4)NC(=N)N=C23 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO +0415_00154 5.112 162181 CC(C)NCC(O)COc1ccc(CCO)cc1 CC(C)NCC(COC1=CC=C(C=C1)CCO)O +0415_00155 5.112 5578 COc1cc(CC2=CNC(=N)NC2=N)cc(OC)c1OC COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0415_00156 5.13 4411 CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12 CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O +0415_00157 5.137 59708 CCC(N1CCCC1=O)C(O)=N CCC(C(=O)N)N1CCCC1=O +0415_00158 5.148 2130 NC12CC3CC(CC(C3)C1)C2 C1C2CC3CC1CC(C2)(C3)N +0415_00159 5.148 4828 CC(C)NCC(O)COc1cccc2[nH]ccc12 CC(C)NCC(COC1=CC=CC2=C1C=CN2)O +0415_00160 5.148 79061 CC[P+]([O-])(CC)CC CCP(=O)(CC)CC +0415_00161 5.155 247635 [nH]1c2ccccc2nc1c3cccnc3 C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3 +0415_00162 5.162 11206111 CC(N)c1sc2ccccc2n1 CC(C1=NC2=CC=CC=C2S1)N +0415_00163 5.162 13414 Cc1ccc2nc(C)ccc2c1 CC1=CC2=C(C=C1)N=C(C=C2)C +0415_00164 5.167 4715169 CC(C)CC(CN)CC(O)=O CC(C)CC(CC(=O)O)CN +0415_00165 5.185 3937 NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O +0415_00166 5.194 76460731 OC(=O)C1CC(C=C1)N2C=NC3=C(NC4CC4)NC(=N)N=C23 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)C(=O)O +0415_00167 5.195 5143 OC1=N[S](=O)(=O)c2ccccc12 C1=CC=C2C(=C1)C(=O)NS2(=O)=O +0415_00168 5.203 5430 [nH]1c2ccccc2nc1c3cscn3 C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 +0415_00169 5.203 5546 NC1=C2N=C(C(=N)N=C2NC(=N)N1)c3ccccc3 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N +0415_00170 5.221 49351 CC(O)=Nc1cc(cc(c1)C(O)=O)N=C(C)O CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C +0415_00171 5.24 5215 Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00172 5.24 75771 On1nnc2ccccc12 C1=CC=C2C(=C1)N=NN2O +0415_00173 5.24 216326 Nc1cccc2C(=O)N(Cc12)C3CCC(=NC3=O)O C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N +0415_00174 5.276 126969200 CN(C)[C@@H]1[C@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=C(C(O)=N)C1=O)O +0415_00175 5.276 759421 Nc1cccc2nc([nH]c12)c3ccccc3 C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)N +0415_00176 5.337 135399369 Oc1cccc2nn[nH]c12 C1=CC2=NNN=C2C(=C1)O +0415_00177 5.349 4615046 CC[N+](CC)(CC=C)Cc1ccccc1 CC[N+](CC)(CC=C)CC1=CC=CC=C1 +0415_00178 5.349 24415 CCNCC(O)=Nc1c(C)cccc1C CCNCC(=O)NC1=C(C=CC=C1C)C +0415_00179 5.367 5340 Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +0415_00180 5.367 2174 CC1(C)SC2C(N=C(O)C(N)c3ccccc3)C(=O)N2C1C(O)=O CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C +0415_00181 5.367 125017 CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O +0415_00182 5.367 2265 Cn1cnc(c1Sc2ncnc3[nH]cnc23)[N+]([O-])=O CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] +0415_00183 5.367 521301 COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)C=CC35O CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)O +0415_00184 5.386 64048 Oc1nc(O)c2ccccc2n1 C1=CC=C2C(=C1)C(=O)NC(=O)N2 +0415_00185 5.386 130829 CN(C)CC1CCCCC1(O)c2cccc(O)c2 CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O +0415_00186 5.399 6101 Cc1ccc(cc1)[S](O)(=O)=O CC1=CC=C(C=C1)S(=O)(=O)O +0415_00187 5.404 198059 C[N+](C)(C)Cc1ccc(C=C)cc1 C[N+](C)(C)CC1=CC=C(C=C1)C=C +0415_00188 5.422 10377584 CCNCC(O)COc1ccc(CCOC)cc1 CCNCC(COC1=CC=C(C=C1)CCOC)O +0415_00189 5.43 135956782 COc1cc(CC2=C(N)NC(=N)N=C2O)cc(OC)c1OC COC1=CC(=CC(=C1OC)OC)CC2=C(N=C(NC2=O)N)N +0415_00190 5.459 4205 CN1CCN2C(C1)c3ccccc3Cc4cccnc24 CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4 +0415_00191 5.46 54685734 CN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=C(C(O)=N)C1=O)O CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O +0415_00192 5.477 4649 Nc1ccc(C(O)=O)c(O)c1 C1=CC(=C(C=C1N)O)C(=O)O +0415_00193 5.513 5478 CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2 CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O +0415_00194 5.55 5336 Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00195 5.568 2159 CCN1CCCC1CN=C(O)c2cc(c(N)cc2OC)[S](=O)(=O)CC CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC +0415_00196 5.586 54675779 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=C(C(O)=N)C1=O)O +0415_00197 5.586 65743 CN1N(c2ccccc2)C(=O)C(=C1C)N=C(C)O CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C +0415_00198 5.588 351727 COC12C3NC3CN1C4=C(C2COC(O)=N)C(=O)C(=C(C)C4=O)N CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N +0415_00199 5.59 19266 CC(O)=Nc1ccc(cc1)C(O)=O CC(=O)NC1=CC=C(C=C1)C(=O)O +0415_00200 5.619 70650729 CCN1CCCC1CN=C(O)c2cc(c(N)cc2O)[S](=O)(=O)CC CCN1CCCC1CNC(=O)C2=CC(=C(C=C2O)N)S(=O)(=O)CC +0415_00201 5.619 102544 NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O +0415_00202 5.623 2998624 C1CNCC(C1)c2sc3ccccc3n2 C1CC(CNC1)C2=NC3=CC=CC=C3S2 +0415_00203 5.623 72666 CN1N(c2ccccc2)C(=O)C(=C1C)N=CO CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O +0415_00204 5.641 41049 CCC1(CCCCN(C)C1)c2cccc(O)c2 CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O +0415_00205 5.641 2340 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(O)=O CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O +0415_00206 5.641 2331 OC(=N)c1ccccc1 C1=CC=C(C=C1)C(=O)N +0415_00207 5.65 4631786 CCC(CC)OC1C=C(CC(N)C1N=C(C)O)C(O)=O CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O +0415_00208 5.659 3451347 CNCC(c1ccc(O)cc1)C2(O)CCCCC2 CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O +0415_00209 5.666 237358 CSc1ncnc2n(cnc12)C3OC(CO)C(O)C3O CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O +0415_00210 5.683 12124 CC(O)=Nc1cccc(O)c1 CC(=O)NC1=CC(=CC=C1)O +0415_00211 5.696 5395 CC1(C)CC(O)CC(C)(C)N1[O] CC1(CC(CC(N1O)(C)C)O)C +0415_00212 5.699 10464751 CCC(N1CCCC1=O)C(O)=O CCC(C(=O)O)N1CCCC1=O +0415_00213 5.732 18513318 CCCCCCN1[CH]N(C)C=C1 CCCCCCN1CN(C=C1)C +0415_00214 5.75 97987749 COc1ccc2nc([nH]c2c1)SCc3ncc(C(O)=O)c(OC)c3C CC1=C(C(=CN=C1CSC2=NC3=C(N2)C=C(C=C3)OC)C(=O)O)OC +0415_00215 5.761 2242 COC(=O)C(Cc1ccccc1)N=C(O)C(N)CC(O)=O COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N +0415_00216 5.769 5325 Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00217 5.769 3676 CCN(CC)CC(O)=Nc1c(C)cccc1C CCN(CC)CC(=O)NC1=C(C=CC=C1C)C +0415_00218 5.771 5266 COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C +0415_00219 5.776 9215 c1ccc2nc3ccccc3cc2c1 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 +0415_00220 5.823 135403805 COC(=O)N=NC=C1C=[N+]([O-])c2ccccc2N1O COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-] +0415_00221 5.824 14475217 CC(C)N=C(O)N[S](=O)(=O)C1=CNC=CC1=Nc2cccc(CO)c2 CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO +0415_00222 5.842 55287 CC(NC(CCc1ccccc1)C(O)=O)C(=O)C2CCCN2C(O)=O CC(C(=O)C1CCCN1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O +0415_00223 5.86 13734023 COc1cc(cc(OC)c1OC)C(=O)C2=CNC(=N)NC2=N COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N +0415_00224 5.876 7220 [nH]1nnc2ccccc12 C1=CC2=NNN=C2C=C1 +0415_00225 5.896 264260 OCC(O)=Nc1ccccc1 C1=CC=C(C=C1)NC(=O)CO +0415_00226 5.902 5726 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N=C1O CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] +0415_00227 5.903 12855 [nH]1c2ccccc2nc1c3ccccc3 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 +0415_00228 5.915 65130 NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N +0415_00229 5.965 1978 CCCC(O)=Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C +0415_00230 5.969 124335 CN(C)[P](On1nnc2ccccc12)(N(C)C)N(C)C CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1 +0415_00231 5.969 3918 CN1CCC23CCCCC2C1Cc4ccc(O)cc34 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O +0415_00232 5.981 135495928 CCN=C1N=C(O)NC(=N1)NC(C)(C)C CCNC1=NC(=O)NC(=N1)NC(C)(C)C +0415_00233 5.997 7656 C(NCc1ccccc1)c2ccccc2 C1=CC=C(C=C1)CNCC2=CC=CC=C2 +0415_00234 6.061 725982 Cc1ccc(cc1)c2[nH]c3ccccc3n2 CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 +0415_00235 6.079 5077 CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C +0415_00236 6.115 5327 Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C +0415_00237 6.124 135413636 Cc1nnc(c(O)n1)c2ccccc2 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 +0415_00238 6.134 101570 C[N+](C)(Cc1ccccc1)Cc2ccccc2 C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2 +0415_00239 6.152 5291 CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 +0415_00240 6.17 54055259 COc1ccc2nc([nH]c2c1)SCC3=C(C)C(=O)C(=CN3)C CC1=CNC(=C(C1=O)C)CSC2=NC3=C(N2)C=C(C=C3)OC +0415_00241 6.207 416172 COc1ccc2CC3C4C=CC(OC(C)=O)C5Oc1c2C45CCN3C CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C +0415_00242 6.207 5523 COc1cccc(c1)C2(O)CCCCC2CN(C)C CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O +0415_00243 6.225 18075 O=C1C=CC=CC1=C2Nc3ccccc3N2 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O +0415_00244 6.225 4509 OC1=NC(=O)N(C1)N=Cc2oc(cc2)[N+]([O-])=O C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] +0415_00245 6.225 759420 COc1ccccc1c2[nH]c3ccccc3n2 COC1=CC=CC=C1C2=NC3=CC=CC=C3N2 +0415_00246 6.233 17520 Oc1nsc2ccccc12 C1=CC=C2C(=C1)C(=O)NS2 +0415_00247 6.246 198555 CNCC1CCCCC1(O)c2cccc(OC)c2 CNCC1CCCCC1(C2=CC(=CC=C2)OC)O +0415_00248 6.249 2269 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O +0415_00249 6.261 2206 CN1N(C(=O)C=C1C)c2ccccc2 CC1=CC(=O)N(N1C)C2=CC=CC=C2 +0415_00250 6.316 9795857 COc1ccc(cc1)C(CN)C2(O)CCCCC2 COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O +0415_00251 6.334 22016064 COc1cccc(c1)C2(O)CCCCC2C[N+](C)(C)[O-] C[N+](C)(CC1CCCCC1(C2=CC(=CC=C2)OC)O)[O-] +0415_00252 6.353 4909 CCC1(C(=NCN=C1O)O)c2ccccc2 CCC1(C(=O)NCNC1=O)C2=CC=CC=C2 +0415_00253 6.425 57782 CC(O)CCCCN1C(=O)N(C)c2ncn(C)c2C1=O CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O +0415_00254 6.444 3501942 CNCC(c1ccc(OC)cc1)C2(O)CCCCC2 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +0415_00255 6.462 4594 COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC +0415_00256 6.48 586744 CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C +0415_00257 6.499 54681536 CC1C2C(O)C3C(N(C)C)C(=O)C(=C(O)C3(O)C(=O)C2=C(O)c4c(O)cccc14)C(O)=N CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O +0415_00258 6.5 30647 O[S](=O)(=O)c1sc2ccccc2n1 C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O +0415_00259 6.508 5827 COc1ccc(cc1)N=C(C)O CC(=O)NC1=CC=C(C=C1)OC +0415_00260 6.517 242786 CN(C)c1ccc(cc1)c2[nH]c3ccccc3n2 CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 +0415_00261 6.532 2663 CCN(CC)C(O)=Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C +0415_00262 6.572 164282 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2 CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C +0415_00263 6.579 40854 COC(O)=Nc1[nH]c2cc(ccc2n1)[S](=O)c3ccccc3 COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3 +0415_00264 6.608 223943 CC(O)C(O)=Nc1ccccc1 CC(C(=O)NC1=CC=CC=C1)O +0415_00265 6.626 5656 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +0415_00266 6.644 15723 OC(C1CCNCC1)(c2ccccc2)c3ccccc3 C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O +0415_00267 6.653 4054 CC12CC3CC(C)(C1)CC(N)(C3)C2 CC12CC3CC(C1)(CC(C3)(C2)N)C +0415_00268 6.663 4622 CCCOc1ccc2nc([nH]c2c1)N=C(O)OC CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC +0415_00269 6.663 83852 OC1C(O)c2ccccc2N(C(O)=N)c3ccccc13 C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O +0415_00270 6.742 904 CC(O)=Nc1ccccc1 CC(=O)NC1=CC=CC=C1 +0415_00271 6.754 61356 [O-]C(=O)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)[P+](CCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00272 6.763 229639 CC(O)C(=O)N(C)c1ccccc1 CC(C(=O)N(C)C1=CC=CC=C1)O +0415_00273 6.763 86290104 COCCN(C(=O)C[S](O)(=O)=O)c1c(C)cccc1C CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CS(=O)(=O)O +0415_00274 6.772 114821 Cc1onc(N[S](=O)(=O)c2ccc(NO)cc2)c1 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO +0415_00275 6.772 4740 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C +0415_00276 6.783 38854 CC1=NN=C(c2ccccc2)C(=O)N1N CC1=NN=C(C(=O)N1N)C2=CC=CC=C2 +0415_00277 6.827 98889 CN1N(c2ccccc2)C(=O)C(=C1C)O CC1=C(C(=O)N(N1C)C2=CC=CC=C2)O +0415_00278 6.855 2630 CCN1CCN(C(O)=NC(C(O)=NC2C3SCC(=C(N3C2=O)C(O)=O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O +0415_00279 6.882 71739 CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O +0415_00280 6.955 9015 COc1ccc(O)cc1 COC1=CC=C(C=C1)O +0415_00281 6.973 155712 CCN(CC)C(=O)c1cccc(CO)c1 CCN(CC)C(=O)C1=CC=CC(=C1)CO +0415_00282 7.021 8705 Cc1ccc2nn[nH]c2c1 CC1=CC2=NNN=C2C=C1 +0415_00283 7.036 6426850 COCC(C)N(C(=O)C[S](O)(=O)=O)c1c(C)scc1C CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C +0415_00284 7.046 4209 COC1=C(C)C(=O)C2=C(C(COC(O)=N)C3(OC)C4NC4CN23)C1=O CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC +0415_00285 7.064 31703 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO +0415_00286 7.064 2369 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O +0415_00287 7.067 5326566 Cc1cc2nc3nc(O)nc(O)c3nc2cc1C CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 +0415_00288 7.077 3540259 CCN(Cc1cccc(c1)[S](O)(=O)=O)c2ccc(cc2)C(=C3C=CC(C=C3)=[N+](CC)Cc4cccc(c4)[S](O)(=O)=O)c5ccccc5[S]([O-])(=O)=O CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-] +0415_00289 7.083 17134 COc1ncnc(N[S](=O)(=O)c2ccc(N)cc2)c1OC COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00290 7.09 8420 O[S](=O)(=O)c1ccc2ccccc2c1 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O +0415_00291 7.099 11470 CC(=O)c1ccc(cc1)C(O)=O CC(=O)C1=CC=C(C=C1)C(=O)O +0415_00292 7.101 12696 CC(C)(C)[PH+]([O-])C(C)(C)C CC(C)(C)P(=O)C(C)(C)C +0415_00293 7.101 494065 OCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00294 7.137 19667 C[N+](C)(CCOc1ccccc1)Cc2ccccc2 C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2 +0415_00295 7.19 114709 OC1Cc2ccccc2N(C(O)=N)c3ccccc13 C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O +0415_00296 7.192 74506 C[P](c1ccccc1)(c2ccccc2)c3ccccc3 C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00297 7.192 129743104 [O-]C(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)[P+](CCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00298 7.24 15567 O[P+]([O-])(c1ccccc1)c2ccccc2 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)O +0415_00299 7.242 9417 OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1 C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO +0415_00300 7.246 76559643 COc1ccc(cc1)C(C[N+](C)(C)[O-])C2(O)CCCCC2 C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] +0415_00301 7.246 5329 Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00302 7.265 17732 Oc1ccc(cc1)C2(N=C(O)N=C2O)c3ccccc3 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O +0415_00303 7.28 196995 CC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00304 7.283 135398744 CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C +0415_00305 7.301 4463 Cc1ccnc2N(C3CC3)c4ncccc4C(=Nc12)O CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4 +0415_00306 7.352 72085 CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)C(O)=O CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C +0415_00307 7.356 4946 CC(C)NCC(O)COc1cccc2ccccc12 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O +0415_00308 7.356 158781 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(O)=O)C(C)(C)O CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O +0415_00309 7.356 155713 CCN(CC)C(=O)c1cccc(c1)C(O)=O CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O +0415_00310 7.356 54677971 CN1C(=C(O)c2sccc2[S]1(=O)=O)C(O)=Nc3ccccn3 CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3 +0415_00311 7.374 7135 COc1ccccc1N=C(C)O CC(=O)NC1=CC=CC=C1OC +0415_00312 7.392 73728 CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00313 7.392 4928 COC1=NC(NC(N1)=NC(C)C)=NC(C)C CC(C)NC1=NC(=NC(=N1)OC)NC(C)C +0415_00314 7.402 279581 OC1=NC(=O)C2(CCCCC2)C1 C1CCC2(CC1)CC(=O)NC2=O +0415_00315 7.406 6535 CCO[P+]([O-])(OCC)OCC CCOP(=O)(OCC)OCC +0415_00316 7.411 853560 N[P+]([O-])(c1ccccc1)c2ccccc2 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N +0415_00317 7.411 5596 OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5 C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O +0415_00318 7.411 65280 CC(O)=Nc1ccc(cc1)[S](=O)(=O)Nc2cc(C)on2 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C +0415_00319 7.429 4636 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C +0415_00320 7.429 3152 COc1cc2CC(CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC +0415_00321 7.429 176870 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC +0415_00322 7.447 3158 CN(C)CCC=C1c2ccccc2COc3ccccc13 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 +0415_00323 7.447 188543 CN(CC=CC#CC(C)(C)C(O)=O)Cc1cccc2ccccc12 CC(C)(C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O +0415_00324 7.465 22610356 CCCCCC[N+](C)(C)Cc1ccccc1 CCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00325 7.476 19988 COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O +0415_00326 7.476 129274 OC(=N)N1c2ccccc2C=Cc3cc(O)ccc13 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O +0415_00327 7.492 41867 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO +0415_00328 7.493 260003 OC(=O)CC1(CCCCC1)C(O)=O C1CCC(CC1)(CC(=O)O)C(=O)O +0415_00329 7.502 2723799 COC[P](c1ccccc1)(c2ccccc2)c3ccccc3 COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00330 7.538 21321822 CCCCCCCCN1[CH]N(C)C=C1 CCCCCCCCN1CN(C=C1)C +0415_00331 7.557 15555156 OCc1coc(n1)c2ccccc2 C1=CC=C(C=C1)C2=NC(=CO2)CO +0415_00332 7.557 5344 Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N +0415_00333 7.557 40791 CNCCOC(c1ccccc1)c2ccccc2 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 +0415_00334 7.575 24984926 CC[N+](CC)(CC([O-])=Nc1c(C)cccc1C)Cc2ccccc2 CC[N+](CC)(CC1=CC=CC=C1)CC(=NC2=C(C=CC=C2C)C)[O-] +0415_00335 7.587 7456 COC(=O)c1ccc(O)cc1 COC(=O)C1=CC=C(C=C1)O +0415_00336 7.593 2555 OC(=N)N1c2ccccc2C3OC3c4ccccc14 C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N +0415_00337 7.593 47457 OC1=NCC2(CCCCC2)C1 C1CCC2(CC1)CC(=O)NC2 +0415_00338 7.633 41781 CC(C)N=C(O)N[S](=O)(=O)C1=CNC=CC1=Nc2cccc(C)c2 CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C +0415_00339 7.633 8357 COc1cc(cc(OC)c1OC)C(O)=O COC1=CC(=CC(=C1OC)OC)C(=O)O +0415_00340 7.666 3108 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO +0415_00341 7.696 5151398 CCN=C(O)NC1CCCCC1 CCNC(=O)NC1CCCCC1 +0415_00342 7.709 7684 CC(O)=Nc1ccc(C)cc1 CC1=CC=C(C=C1)NC(=O)C +0415_00343 7.721 2723784 CC(C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00344 7.721 3100 CN(C)CCOC(c1ccccc1)c2ccccc2 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 +0415_00345 7.721 494138 COC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 COC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00346 7.75 36879 CSC(C)C(C)=NOC(O)=NC CC(C(=NOC(=O)NC)C)SC +0415_00347 7.776 13625 Oc1sc2ccccc2n1 C1=CC=C2C(=C1)NC(=O)S2 +0415_00348 7.786 2723932 C1CC1[P](c2ccccc2)(c3ccccc3)c4ccccc4 C1CC1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00349 7.849 5038 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(O)=O CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O +0415_00350 7.852 3255 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O +0415_00351 7.88 88068 COC(=O)c1cccc(O)c1 COC(=O)C1=CC(=CC=C1)O +0415_00352 7.917 135290 OC(=N)N1c2ccccc2C=Cc3ccc(O)cc13 C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O +0415_00353 7.928 2724215 C#CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 C#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00354 7.958 32485 CCc1cccc(C)c1N CCC1=CC=CC(=C1N)C +0415_00355 7.976 2724169 C1COC(CC[P](c2ccccc2)(c3ccccc3)c4ccccc4)OC1 C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00356 7.995 4927 CC(CN1c2ccccc2Sc3ccccc13)N(C)C CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C +0415_00357 8.0 73732 CCOC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00358 8.012 77849 Cc1cc2[nH]nnc2cc1C CC1=CC2=NNN=C2C=C1C +0415_00359 8.013 7881 CCCCO[P](O)(=O)OCCCC CCCCOP(=O)(O)OCCCC +0415_00360 8.027 19388302 OC(=O)c1ccc(cc1)c2ccccc2c3n[nH]nn3 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 +0415_00361 8.086 87674 CCOC(=O)C(C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00362 8.09 5323 COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1 COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC +0415_00363 8.14 13282 O[P](=O)(Oc1ccccc1)Oc2ccccc2 C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2 +0415_00364 8.159 76845 Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35 C1=CC2=C(C=C1N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O +0415_00365 8.178 5062352 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC +0415_00366 8.2 21902176 COCCCOc1cc(CC(CC(N)C(O)CC(C(C)C)C(O)=NCC(C)(C)C(O)=N)C(C)C)ccc1OC CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N +0415_00367 8.208 86290064 COCC(C)N(C(=O)C(O)=O)c1c(C)scc1C CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C +0415_00368 8.21 10443535 CC(C(O)=O)c1ccc(CC(C)(C)O)cc1 CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O +0415_00369 8.232 110678 CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2 CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CO)O +0415_00370 8.247 6426849 CCc1cccc(C)c1N(C(C)COC)C(=O)C[S](O)(=O)=O CCC1=CC=CC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C +0415_00371 8.264 712377 Sc1oc2ccccc2n1 C1=CC=C2C(=C1)NC(=S)O2 +0415_00372 8.303 3630851 COC(=O)CCCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 COC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00373 8.323 3640 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O +0415_00374 8.323 5128037 COCCOC(O)=Nc1ccc(C)c(c1)N=C(O)OCCOC CC1=C(C=C(C=C1)NC(=O)OCCOC)NC(=O)OCCOC +0415_00375 8.341 4691582 C(c1ccccn1)[P](c2ccccc2)(c3ccccc3)c4ccccc4 C1=CC=C(C=C1)[P+](CC2=CC=CC=N2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00376 8.341 157881 COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1 CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C +0415_00377 8.341 93103 CCN=C(O)c1cccc(C)c1 CCNC(=O)C1=CC=CC(=C1)C +0415_00378 8.373 8571 Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O +0415_00379 8.396 521440 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C +0415_00380 8.404 2086 CSC(C)(C)C=NOC(O)=NC CC(C)(C=NOC(=O)NC)SC +0415_00381 8.432 4894 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O +0415_00382 8.432 122252 CNCCC(Oc1cccc2ccccc12)c3sccc3 CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32 +0415_00383 8.432 4345423 Nc1ccccc1C[P](c2ccccc2)(c3ccccc3)c4ccccc4 C1=CC=C(C=C1)[P+](CC2=CC=CC=C2N)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00384 8.469 4900 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C +0415_00385 8.469 17451 COC(O)=Nc1ccccc1 COC(=O)NC1=CC=CC=C1 +0415_00386 8.483 10444113 CC(Cc1ccc(cc1)C(C)C(O)=O)C(O)=O CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O +0415_00387 8.5 162920 CC(C(O)=O)c1ccc2cc(O)ccc2c1 CC(C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O +0415_00388 8.5 2015 O=C1c2ccccc2Nc3ccccc13 C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2 +0415_00389 8.524 21126562 [O]N([O-])c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)N(O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00390 8.542 2520 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC 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COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3 +0415_00401 8.7 3348 CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O +0415_00402 8.706 70672 C(c1ccccc1)[P](c2ccccc2)(c3ccccc3)c4ccccc4 C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00403 8.708 2160 CN(C)CCC=C1c2ccccc2CCc3ccccc13 CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 +0415_00404 8.761 22074237 CCCC[P](CCCC)(CCCC)CC1OCCO1 CCCC[P+](CCCC)(CCCC)CC1OCCO1 +0415_00405 8.779 7222 s1cnc2ccccc12 C1=CC=C2C(=C1)N=CS2 +0415_00406 8.816 3560758 OC(=O)c1cccc2C(=O)c3ccccc3Nc12 C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)O +0415_00407 8.816 74423 CC[P+]([O-])(c1ccccc1)c2ccccc2 CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 +0415_00408 8.816 101593708 CCN=C1N=C(NC(=N1)[S](C)=O)NC(C)(C)C CCNC1=NC(=NC(=N1)S(=O)C)NC(C)(C)C +0415_00409 8.832 36339 CCOC(=O)c1cncn1C(C)c2ccccc2 CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2 +0415_00410 8.834 2733854 CC(C)(C)OC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 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COC1C(CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)OC(C)=O CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O +0415_00419 8.957 69297 ON(Cc1ccccc1)Cc2ccccc2 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)O +0415_00420 8.999 270655 CC(C)C(N=C(O)OC(C)(C)C)C(O)=O CC(C)C(C(=O)O)NC(=O)OC(C)(C)C +0415_00421 9.016 4159 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14 CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O +0415_00422 9.016 16559 OC1=NC2=C(CCC2)C(=O)N1C3CCCCC3 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O +0415_00423 9.017 494184 CC(C)=CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C +0415_00424 9.034 13741 CCCCCCCC[N+](C)(C)Cc1ccccc1 CCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00425 9.034 12462 COc1cccc(OC)c1OC COC1=C(C(=CC=C1)OC)OC +0415_00426 9.053 74189 O[P](=O)(OCc1ccccc1)OCc2ccccc2 C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2 +0415_00427 9.082 591790 C1CCC(CC1)N=C2Nc3ccccc3S2 C1CCC(CC1)NC2=NC3=CC=CC=C3S2 +0415_00428 9.12 697993 Sc1sc2ccccc2n1 C1=CC=C2C(=C1)NC(=S)S2 +0415_00429 9.126 124611 CCCC[N+](CCCC)(CCCC)Cc1ccccc1 CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1 +0415_00430 9.176 1775 OC1=NC(c2ccccc2)(c3ccccc3)C(=N1)O C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 +0415_00431 9.189 13101 CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1 CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 +0415_00432 9.196 6372861 O=C(C[P](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4 C1=CC=C(C=C1)COC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00433 9.209 1493 Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O +0415_00434 9.217 5339 OC(=O)C1=CC(C=CC1=O)=NNc2ccc(cc2)[S](=O)(=O)Nc3ccccn3 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O +0415_00435 9.235 19099 OC(=N)N1c2ccccc2CCc3ccccc13 C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N +0415_00436 9.29 58705182 CN(C)[C]1C=CC(C=C1)=C(c2ccccc2)c3ccc(cc3)N(C)C CN(C)C1C=CC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C=C1 +0415_00437 9.296 3016976 CCOC(=C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 CCOC(=C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00438 9.314 2759380 CC(C)CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 CC(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00439 9.345 3749 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 +0415_00440 9.363 77901 C1CN(CCO1)c2sc3ccccc3n2 C1COCCN1C2=NC3=CC=CC=C3S2 +0415_00441 9.381 4659568 CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N +0415_00442 9.396 70837 Oc1ccc(c(O)c1O)C(=O)c2ccccc2 C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O +0415_00443 9.454 2724471 CCOc1ccc(C[P](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 +0415_00444 9.472 13583 CCCCCCCCCCCCN CCCCCCCCCCCCN +0415_00445 9.472 5452 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC +0415_00446 9.472 4944 CN=C(O)Oc1ccccc1OC(C)C CC(C)OC1=CC=CC=C1OC(=O)NC +0415_00447 9.499 3826 OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3 C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O +0415_00448 9.527 16850 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1 C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O +0415_00449 9.527 91695 CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C +0415_00450 9.527 54676228 CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(O)=Nc3ccccn3 CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 +0415_00451 9.527 4929 CSC1=NC(NC(N1)=NC(C)C)=NC(C)C CC(C)NC1=NC(=NC(=N1)SC)NC(C)C +0415_00452 9.545 3778 CC(C)C1=C(C)N(C)N(c2ccccc2)C1=O CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C +0415_00453 9.545 79683 CCOC(O)=N[S](=O)(=O)c1ccc(C)cc1 CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)C +0415_00454 9.588 8885 CCCCCCCCO[S](O)(=O)=O CCCCCCCCOS(=O)(=O)O +0415_00455 9.655 23661 O=C1CC2(CCCCC2)CO1 C1CCC2(CC1)CC(=O)OC2 +0415_00456 9.655 75312 CCCC[P](CCCC)(CCCC)CCCC CCCC[P+](CCCC)(CCCC)CCCC +0415_00457 9.655 5402 CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12 CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21 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CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC +0415_00476 10.084 9016 COc1ccc(OC)cc1 COC1=CC=C(C=C1)OC +0415_00477 10.147 6129 CN=C(O)Oc1cccc2ccccc12 CNC(=O)OC1=CC=CC2=CC=CC=C21 +0415_00478 10.17 42586 COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC +0415_00479 10.17 107970 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N +0415_00480 10.202 91590 CSC1=NC(=NC2CC2)N=C(N1)NC(C)(C)C CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC +0415_00481 10.239 11499530 CC(C)C(=O)c1ccc(cc1)C(C)C(O)=O CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O +0415_00482 10.257 36679 CC(C)c1ccc(NC(=O)N(C)C)cc1 CC(C)C1=CC=C(C=C1)NC(=O)N(C)C +0415_00483 10.259 544877 OC(NC1CCCCC1)=NCc2ccccc2 C1CCC(CC1)NC(=O)NCC2=CC=CC=C2 +0415_00484 10.293 220502 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C +0415_00485 10.348 4547 CCOc1cc(CC(O)=NC(CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O +0415_00486 10.366 13763 CCCCCCCCCC[N+](C)(C)Cc1ccccc1 CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00487 10.391 4487554 CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C3=CC4C5CC(CC5C=CC4C3CC(=O)O1)OC6OC(C)C(OC)C(OC)C6OC CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C +0415_00488 10.403 549976 CC1(C)CCCC(C)(C)N1[O] CC1(CCCC(N1O)(C)C)C +0415_00489 10.403 450 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O +0415_00490 10.421 220503 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34 +0415_00491 10.421 4284 CCN(CC)C(=O)c1cccc(C)c1 CCN(CC)C(=O)C1=CC=CC(=C1)C +0415_00492 10.439 32518 CCCCCCCCCCCCCN1CC(C)OC(C)C1 CCCCCCCCCCCCCN1CC(OC(C1)C)C +0415_00493 10.458 13097 [O-][P+](c1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00494 10.549 624988 COc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC +0415_00495 10.616 23568 CCOc1ccc2ccccc2c1C(O)=NC3C4SC(C)(C)C(N4C3=O)C(O)=O CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O +0415_00496 10.686 87895 CCOC(=O)c1ccc(O)c(c1)[N+]([O-])=O CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] +0415_00497 10.768 4614670 CCOCCOC(=O)Nc1ccc(C)cc1 CCOCCOC(=O)NC1=CC=C(C=C1)C +0415_00498 10.768 4891 O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4 C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2 +0415_00499 10.786 14373162 CCC(C)(C)C(=O)OC1CC(CO)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CO +0415_00500 10.796 10168 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O +0415_00501 10.822 76293 [O-][P+](Cc1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00502 10.83 86367 Cc1cc(nc(Nc2ccccc2)n1)C3CC3 CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3 +0415_00503 10.873 10546 CCCO[P+]([O-])(OCCC)OCCC CCCOP(=O)(OCCC)OCCC +0415_00504 10.877 3825 CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2 CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O +0415_00505 10.896 4485 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CC12CCC3C(CCc4cc(O[S](O)(=O)=O)ccc34)C1CCC2=O CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O +0415_00516 11.114 4659569 Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-] +0415_00517 11.114 13138 CCCC[P+]([O-])(CCCC)CCCC CCCCP(=O)(CCCC)CCCC +0415_00518 11.133 4537 CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4 +0415_00519 11.224 698 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O +0415_00520 11.242 4595868 CCCCCCCCCCC(C(=O)OC)[N+](C)(C)Cc1ccccc1 CCCCCCCCCCC(C(=O)OC)[N+](C)(C)CC1=CC=CC=C1 +0415_00521 11.279 5011424 CCCCCCCCCCC(C(=O)c1ccc(OC)cc1)[N+](C)(C)C CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)OC)[N+](C)(C)C +0415_00522 11.443 5650 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)C(C(C)C)C(O)=O CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O +0415_00523 11.461 2335 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2 +0415_00524 11.57 4160 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C +0415_00525 11.589 76 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C +0415_00526 11.589 8754 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00527 11.644 99393 [O-][P+](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3 C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3 +0415_00528 11.662 3288 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C +0415_00529 11.716 3346292 CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)Cc1ccccc1 CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC=CC=C1 +0415_00530 11.753 8569 COc1ccc(c(O)c1)C(=O)c2ccccc2O COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O +0415_00531 11.765 53395233 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(N=C(O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C)c5n6ccc(C)cc6nc5c4c3C2=O CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C +0415_00532 11.775 62907 CCN=C(O)C1CC(C)CCC1C(C)C CCNC(=O)C1CC(CCC1C(C)C)C +0415_00533 11.788 3342 CC(C(O)=O)c1cccc(Oc2ccccc2)c1 CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O +0415_00534 11.808 521928 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O +0415_00535 11.855 33528 CCCCCCCCN1SC=CC1=O CCCCCCCCN1C(=O)C=CS1 +0415_00536 11.936 6914821 CC(C)OC(O)=NC(C(C)C)C(O)=NC(C)c1ccc(C)cc1 CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C +0415_00537 12.027 3149 CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1 +0415_00538 12.063 4542 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 +0415_00539 12.118 104865 COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC +0415_00540 12.209 11989 CSc1sc2ccccc2n1 CSC1=NC2=CC=CC=C2S1 +0415_00541 12.265 152326 c1ccc(cc1)[P](N=[P](c2ccccc2)(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6 C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 +0415_00542 12.282 14843 Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C CC1=C(C=CC(=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C +0415_00543 12.373 4507 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC)C CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C +0415_00544 12.4 31362 CC(C)CC(C)(O)C#CC(C)(O)CC(C)C CC(C)CC(C)(C#CC(C)(CC(C)C)O)O +0415_00545 12.417 30692 N#CSCSc1sc2ccccc2n1 C1=CC=C2C(=C1)N=C(S2)SCSC#N +0415_00546 12.497 8981 CC1=CC(C)(C)Nc2ccccc12 CC1=CC(NC2=CC=CC=C12)(C)C +0415_00547 12.524 541103 CC1CC2C(CCC3(C)C2CCC3(O)C(C)=O)C4(C)CCC(=O)C=C14 CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C +0415_00548 12.596 27189 CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21 +0415_00549 12.61 10251 O=C1CC(Oc2ccccc12)c3ccccc3 C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3 +0415_00550 12.658 3045266 CCCCCCCCCCCCCC(=O)OCC(O)CO[P+]([O-])([O-])OCC[N+](C)(C)C 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CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N +0415_00570 13.705 9837816 OC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 C1=CC=C(C=C1)C(=C(C#N)C(=O)O)C2=CC=CC=C2 +0415_00571 13.723 4042 CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C4(C)CCC(=O)C=C14 CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C +0415_00572 13.742 75993 CCSc1sc2ccccc2n1 CCSC1=NC2=CC=CC=C2S1 +0415_00573 13.796 4920 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C +0415_00574 13.815 139593917 CCC(CCC(C)O)COC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 CCC(CCC(C)O)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N +0415_00575 13.833 7231 C1CN(CCO1)SSc2sc3ccccc3n2 C1COCCN1SSC2=NC3=CC=CC=C3S2 +0415_00576 13.85 219958 CC(C)(c1ccc(O)c(c1)[N+]([O-])=O)c2ccc(O)c(c2)[N+]([O-])=O CC(C)(C1=CC(=C(C=C1)O)[N+](=O)[O-])C2=CC(=C(C=C2)O)[N+](=O)[O-] +0415_00577 13.854 14994 CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O +0415_00578 13.862 31357 CCCCO[P+]([O-])(OCCCC)OCCCC CCCCOP(=O)(OCCCC)OCCCC +0415_00579 13.869 31203 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00580 14.015 31355 CC(C)CO[P+]([O-])(OCC(C)C)OCC(C)C CC(C)COP(=O)(OCC(C)C)OCC(C)C +0415_00581 14.07 8289 [O-][P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 +0415_00582 14.088 166480 Cc1cc(C)c(c(C)c1)C(=O)[P+]([O-])(c2ccccc2)c3ccccc3 CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C +0415_00583 14.103 4168643 OC(=NC1CCCCC1)N(Cc2ccccc2)Cc3ccccc3 C1CCC(CC1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 +0415_00584 14.107 991 CCO[P+]([S-])(OCC)Oc1ccc(cc1)[N+]([O-])=O CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] +0415_00585 14.18 4760 O=C1C(c2ccccc2)C(=O)c3ccccc13 C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O +0415_00586 14.45 157898 CC(CC(C)(C)C)C[P+](O)([O-])CC(C)CC(C)(C)C CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)O +0415_00587 14.508 19758 [S-][P+](c1ccccc1)(c2ccccc2)c3ccccc3 C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00588 14.526 3017 CCO[P+]([S-])(OCC)Oc1cc(C)nc(n1)C(C)C CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C +0415_00589 14.542 15089684 O=C1OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c3ccc(cc3)C(=O)OCCOC(=O)c4ccc1cc4 C1COC(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)O1 +0415_00590 14.544 4080 COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC +0415_00591 14.544 6319 N(c1ccccc1)c2ccc(Nc3ccccc3)cc2 C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3 +0415_00592 14.611 16217941 CCOC(=O)c1cccc(c1)N2CCN(CC2)C(=O)OC(C)(C)C CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C +0415_00593 14.631 6540 CCCCOCCO[P+]([O-])(OCCOCCCC)OCCOCCCC CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC +0415_00594 14.718 24228 Oc1cc2ccccc2nc1C3C(=O)c4ccccc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c1ccccc1 CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 +0415_00600 15.201 17113 Cc1ccc(O)c(c1)n2nc3ccccc3n2 CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 +0415_00601 15.246 11365502 CCCCCCCCCCCCCCCC(=O)OCC(CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC(O)=O CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)O +0415_00602 15.402 90303 CCOc1ccccc1NC(=O)C(=O)Nc2ccccc2CC CCC1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2OCC +0415_00603 15.438 4677798 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C +0415_00604 15.467 62020 CCCN(CCC)C(=O)SCc1ccccc1 CCCN(CCC)C(=O)SCC1=CC=CC=C1 +0415_00605 15.53 5510 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2 +0415_00606 15.788 34148 CC(C)c1ccccc1O[P+]([O-])(Oc2ccccc2)Oc3ccccc3 CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 +0415_00607 15.87 93311 [O-][P+](Oc1ccccc1)(Oc2ccccc2)Oc3cccc(O[P+]([O-])(Oc4ccccc4)Oc5ccccc5)c3 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5 +0415_00608 15.924 6529 Cc1ccc(O[P+]([O-])(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1 CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C +0415_00609 15.985 14425 CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O +0415_00610 16.04 84717 CCCCCCCCCCCCCCCC[P](CCCC)(CCCC)CCCC CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC +0415_00611 16.132 11442 CC(C)=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C +0415_00612 16.132 135503327 CCC[C](NOCC)=[C]1C(=O)C[CH](CC(C)SCC)CC1=O CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)O +0415_00613 16.157 4868768 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(N=C(C)O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)C)C +0415_00614 16.198 38479 CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-] +0415_00615 16.405 2785208 CCCCCCCC[P](CCCCCCCC)(CCCCCCCC)CCCCCCCC CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC +0415_00616 16.989 14716 CCCCC(CC)CO[P+]([O-])(Oc1ccccc1)Oc2ccccc2 CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 +0415_00617 17.125 11181837 CCCCCCCCCCCCCC[P](CCCCCC)(CCCCCC)CCCCCC CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC +0415_00618 17.429 34149 CC(C)c1ccccc1O[P+]([O-])(Oc2ccccc2)Oc3ccccc3C(C)C CC(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C(C)C +0415_00619 17.591 82146 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C +0415_00620 17.664 22571 CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N +0415_00621 17.714 9874825 CC(C)(c1ccc(O[P+]([O-])(Oc2ccccc2)Oc3ccccc3)cc1)c4ccc(O[P+]([O-])(Oc5ccccc5)Oc6ccccc6)cc4 CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6 +0415_00622 18.102 6786 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC +0415_00623 18.874 75628 CC(C)c1ccc(O[P+]([O-])(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1 CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C +0415_00624 19.014 15797 CCCCCCCCOc1ccc(c(O)c1)C(=O)c2ccccc2 CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O +0415_00625 19.562 62485 CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2 CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 +0415_00626 20.39 4243 CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(O)=O)O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C +0415_00627 21.24 4490 COC1CC(CC2CCC(C)C(O2)C(C)C(O)=O)OC3(OC(C)(CC3C)C4CCC(C)(O4)C5OC(CC5C)C6OC(O)(CO)C(C)CC6C)C1C CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC +0415_00628 2.614 1153 NC(Cc1ccc(O)cc1)C(O)=O C1=CC(=CC=C1CC(C(=O)O)N)O +0415_00629 12.775 2681 CCCCCCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCCCCCC[N+](C)(C)C +0415_00630 10.759 4277 C1CCC(CC1)NC(=O)NC2CCCCC2 C1CCC(CC1)NC(=O)NC2CCCCC2 +0415_00631 2.284 5413 CC[N+](CC)(CC)CC CC[N+](CC)(CC)CC +0415_00632 10.768 7595 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 +0415_00633 10.001 8153 CCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCC[N+](C)(C)C +0415_00634 13.997 8156 CCCCCCCCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCCCCCCCC[N+](C)(C)C +0415_00635 11.365 8211 CCCCCCCCCCCCCCN(C)C CCCCCCCCCCCCCCN(C)C +0415_00636 6.006 8925 COCCOCCOCCOCCOC COCCOCCOCCOCCOC +0415_00637 5.568 9559 CCC[N+](CCC)(CCC)CCC CCC[N+](CCC)(CCC)CCC +0415_00638 4.39 13387 CN1CCCC1=O CN1CCCC1=O +0415_00639 11.497 14251 CCCCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCCCC[N+](C)(C)C +0415_00640 18.376 15744 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC +0415_00641 8.907 16028 CCCC[N+](CCCC)(CCCC)CCCC CCCC[N+](CCCC)(CCCC)CCCC +0415_00642 13.395 16958 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC CCCCCCCCCC[N+](C)(C)CCCCCCCCCC +0415_00643 11.279 17249 CCCCC[N+](CCCCC)(CCCCC)CCCCC CCCCC[N+](CCCCC)(CCCCC)CCCCC +0415_00644 1.307 18206 C[N+](C)(C)CC1CO1 C[N+](C)(C)CC1CO1 +0415_00645 15.329 18670 CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC +0415_00646 15.717 23768 CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C +0415_00647 16.898 24953 CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC +0415_00648 13.577 26690 CCCCCCCCCC(=O)N(C)C CCCCCCCCCC(=O)N(C)C +0415_00649 13.03 31281 CCCCCCCCCCCCCCCC[N+](C)(C)CC CCCCCCCCCCCCCCCC[N+](C)(C)CC +0415_00650 7.009 36209 CCCC[N+](C)(CCCC)CCCC CCCC[N+](C)(CCCC)CCCC +0415_00651 12.371 61907 CCCCCCCCCC[N+](C)(C)CCCCCCCC CCCCCCCCCC[N+](C)(C)CCCCCCCC +0415_00652 11.669 62582 CCCCCCCC[N+](C)(C)CCCCCCCC CCCCCCCC[N+](C)(C)CCCCCCCC +0415_00653 8.07 65618 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-] C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-] +0415_00654 13.103 75057 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC +0415_00655 14.727 77072 CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC +0415_00656 13.666 82639 CCCCCCCCC=CCCCCCCCC[N+](C)(C)C CCCCCCCCC=CCCCCCCCC[N+](C)(C)C +0415_00657 5.221 83681 CC(C)(C)P(C(C)(C)C)C(C)(C)C CC(C)(C)P(C(C)(C)C)C(C)(C)C +0415_00658 8.074 548198 CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O +0415_00659 16.186 2734118 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC +0415_00660 12.596 3033871 CCCCCCCCN1CCCC1=O CCCCCCCCN1CCCC1=O +0415_00661 9.57 3528502 CCCCC[N+](CCCC)(CCCC)CCCC CCCCC[N+](CCCC)(CCCC)CCCC +0415_00662 8.031 6327869 C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2 C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2 +0415_00663 7.137 11440922 C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00664 7.21 135056365 C1=CC=C(C=C1)[P+](CCCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 C1=CC=C(C=C1)[P+](CCCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +0415_00665 8.074 5280343 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +0415_00666 2.065 187 CC(=O)OCC[N+](C)(C)C CC(=O)OCC[N+](C)(C)C +0415_00667 8.323 34312 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N diff --git a/raw_data/0415/0415_rtdata.tsv.old b/raw_data/0415/0415_rtdata.tsv.old new file mode 100644 index 000000000..4b80f3081 --- /dev/null +++ b/raw_data/0415/0415_rtdata.tsv.old @@ -0,0 +1,668 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +2.357 draft_01362_00001 791 CCC(C)C(N)C(O)=O +6.9 draft_01362_00002 8143 CCCCCCCCN +7.622 draft_01362_00003 4754 CCOc1ccc(cc1)N=C(C)O +4.936 draft_01362_00004 2153 CN1C(=O)N(C)c2[nH]cnc2C1=O +5.509 draft_01362_00005 2519 Cn1cnc2N(C)C(=O)N(C)C(=O)c12 +5.242 draft_01362_00006 5429 Cn1cnc2N(C)C(=O)N=C(O)c12 +5.064 draft_01362_00007 4687 Cn1cnc2N=C(O)N(C)C(=O)c12 +5.696 draft_01362_00008 10742 COc1cc(cc(OC)c1O)C(O)=O +9.418 draft_01362_00009 5281654 COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 +10.093 draft_01362_00010 5280378 COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O +12.61 draft_01362_00011 3102 O=C(c1ccccc1)c2ccccc2 +5.62 draft_01362_00012 135 OC(=O)c1ccc(O)cc1 +7.56 draft_01362_00013 243 OC(=O)c1ccccc1 +7.886 draft_01362_00014 338 OC(=O)c1ccccc1O +2.078 draft_01362_00015 311 OC(=O)CC(O)(CC(O)=O)C(O)=O +5.22 draft_01362_00016 196 OC(=O)CCCCC(O)=O +2.079 draft_01362_00017 1175 Oc1[nH]c2nc(O)nc(O)c2n1 +11.048 draft_01362_00018 5281607 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3 +5.732 draft_01362_00019 5281416 Oc1cc2OC(=O)C=Cc2cc1O +7.744 draft_01362_00020 5281708 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O +9.18 draft_01362_00021 932 Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2 +8.766 draft_01362_00022 4788 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 +2.43 draft_01362_00023 1188 Oc1nc(O)c2nc[nH]c2n1 +1.218 draft_01362_00024 1639 N=C1NNC=N1 +1.291 draft_01362_00025 70807 O[S](=O)(=O)CCCN1CCOCC1 +1.3 draft_01362_00026 5987 N[S](O)(=O)=O +1.341 draft_01362_00027 5245486 CCN1[CH]N(C)C=C1 +1.521 draft_01362_00028 4091 CN(C)C(=N)NC(N)=N +2.062 draft_01362_00029 135402036 OC1C(O)C(OC1CO[P](O)(O)=O)n2cnc3c(O)ncnc23 +2.094 draft_01362_00030 4231851 Nc1ncnc2n(cnc12)C3OC(CO[P+]([O-])([O-])O[P+](O)([O-])OCC4OC(C(O)C4O)[n+]5cccc(c5)C(O)=N)C(O)C3O +2.11 draft_01362_00031 1054 Cc1ncc(CO)c(CO)c1O +2.12 draft_01362_00032 60172 Nc1ncnc2n(CCOC[P+](O)(O)[O-])cnc12 +2.138 draft_01362_00033 7261 Cc1ccc(N)cc1N +2.162 draft_01362_00034 104301 CC1(C)CC(O)CC(C)(C)N1CCO +2.173 draft_01362_00035 621 Nc1ncnc2n(cnc12)C3CC(O)C(CO[P](O)(O)=O)O3 +2.181 draft_01362_00036 4075 Nc1ccc(O)c(c1)C(O)=O +2.235 draft_01362_00037 135398740 OCC(CO)OCn1cnc2C(=NC(=N)Nc12)O +2.315 draft_01362_00038 135398734 CCN=C1NC(=NC(=N)N1)O +2.342 draft_01362_00039 70315 CN1C(=N)Nc2[nH]cnc2C1=O +2.36 draft_01362_00040 135398646 Cn1cnc2ncnc2c1N +2.378 draft_01362_00041 70975 Cn1cnc2c(O)nc(O)nc12 +2.43 draft_01362_00042 135403591 Cn1cnc2C(=NC(=N)Nc12)O +2.456 draft_01362_00043 18347899 OC(=O)C1OC(CS1)N2C=CC(=N)N=C2O +2.566 draft_01362_00044 1044 [nH]1cnc2cncnc12 +2.597 draft_01362_00045 135398748 OCC(CO)CCn1cnc2C(=NC(=N)Nc12)O +2.615 draft_01362_00046 4843 OC(=N)CN1CCCC1=O +2.689 draft_01362_00047 2723601 SC1=NC(=N)Nc2[nH]cnc12 +2.73 draft_01362_00048 4782 CNCC(O)c1cccc(O)c1 +2.771 draft_01362_00049 64987 CC(Cn1cnc2c(N)ncnc12)OC[P+](O)(O)[O-] +2.824 draft_01362_00050 13220 CC1(C)CC(=O)CC(C)(C)N1 +2.831 draft_01362_00051 15914 C[N+](C)(C)c1ccccc1 +2.85 draft_01362_00052 135398752 OC1=NC(=O)N=C2NNC=C12 +2.92 draft_01362_00053 135508007 OC(=O)COCn1cnc2C(=NC(=N)Nc12)O +2.941 draft_01362_00054 62986 CNC(NCC[S](=O)Cc1oc(CN(C)C)cc1)=C[N+]([O-])=O +3.086 draft_01362_00055 15295 O[P+](O)([O-])c1ccccc1 +3.105 draft_01362_00056 3877 OCC1OC(CS1)N2C=CC(=N)N=C2O +3.123 draft_01362_00057 143869441 OCCOCn1cnc2C(O)NC(=N)Nc12 +3.148 draft_01362_00058 135402034 OCC1OC(C(O)C1O)n2cnc3C(=NC(=N)Nc23)O +3.149 draft_01362_00059 135401907 Oc1ncnc2n[nH]cc12 +3.196 draft_01362_00060 191 Nc1ncnc2n(cnc12)C3OC(CO)C(O)C3O +3.214 draft_01362_00061 53855778 CC(C)NCC(O)COc1ccc(cc1)C(O)C(O)=N +3.227 draft_01362_00062 1135 Cc1cnc(O)nc1O +3.397 draft_01362_00063 636 Nc1ncnc2n(cnc12)C3CC(O)C(CO)O3 +3.47 draft_01362_00064 12793 O[P](O)(=O)Oc1ccccc1 +3.47 draft_01362_00065 6491 CC1(C)N=C(O)N=C1O +3.674 draft_01362_00066 785 Oc1ccc(O)cc1 +4.02 draft_01362_00067 1268107 Oc1nc(S)c2nc[nH]c2n1 +4.073 draft_01362_00068 7421 CN(C)c1cccc(O)c1 +4.09 draft_01362_00069 135402018 OCC1OC(CC1O)n2cnc3C(=NC(=N)Nc23)O +4.125 draft_01362_00070 36573 CC1=CC(=N[S](=O)(=O)O1)O +4.181 draft_01362_00071 135402019 OCC1OC(CC1O)n2cnc3c(O)ncnc23 +4.236 draft_01362_00072 17938176 CCCCN1[CH]C=CC=C1 +4.251 draft_01362_00073 1136 Cc1ncsc1CCO +4.267 draft_01362_00074 11009533 CCCC[N+]1(C)CCCC1 +4.291 draft_01362_00075 12877207 COC(O)=Nc1cccc(N)c1 +4.313 draft_01362_00076 135432358 OCC1OC(C(O)C1O)N2NC=C3C(=O)N=CN=C23 +4.346 draft_01362_00077 1189 OCC1OC(C(O)C1O)n2cnc3c(O)nc(O)nc23 +4.346 draft_01362_00078 13639 C1CN=C(N1)c2ccccc2 +4.412 draft_01362_00079 66172 CC1=CC(=N)NO1 +4.419 draft_01362_00080 7681 CN(C)Cc1ccccc1 +4.424 draft_01362_00081 28377678 COC(O)=Nc1cccc(N)c1C +4.437 draft_01362_00082 68374 Cn1cnc2nc(O)nc(O)c12 +4.455 draft_01362_00083 84786 CC(O)=Nc1cc(N)cc(c1)C(O)=O +4.459 draft_01362_00084 5964 C[N+](C)(C)Cc1ccccc1 +4.471 draft_01362_00085 161950 CC(O)=Nc1ccc(O)c(O)c1 +4.473 draft_01362_00086 2942 CN(C)NN=C1N=CN=C1C(N)=O +4.48 draft_01362_00087 5432 CC1=NC=C(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(CC2=CN=C(C)NC2=N)C=O)C(=N)N1 +4.49 draft_01362_00088 2749 CC1=CC(=O)N(O)C(=C1)C2CCCCC2 +4.502 draft_01362_00089 1982 CO[P+]([O-])(SC)N=C(C)O +4.502 draft_01362_00090 70639 CN1C(=O)N=C(O)c2nc[nH]c12 +4.533 draft_01362_00091 1134 CC1=CN(C2CC(O)C(CO)O2)C(=O)N=C1O +4.546 draft_01362_00092 5403 CC(C)(C)NCC(O)c1cc(O)cc(O)c1 +4.565 draft_01362_00093 135783861 CN(C)c1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1 +4.58 draft_01362_00094 4022661 CC(O)=Nc1ccc(OC2OC(C(O)C(O)C2O)C(O)=O)cc1 +4.583 draft_01362_00095 5253 CC(C)NCC(O)c1ccc(N[S](C)(=O)=O)cc1 +4.583 draft_01362_00096 500249 COC(=O)C1CCC(=N1)O +4.607 draft_01362_00097 222669 CCOC(=O)C1=CNC(=N)NC1=N +4.619 draft_01362_00098 5504 C1CN=C(Cc2ccccc2)N1 +4.619 draft_01362_00099 2249 CC(C)NCC(O)COc1ccc(CC(O)=N)cc1 +4.628 draft_01362_00100 312546 CC(C)(C)[P+](O)(O)[O-] +4.656 draft_01362_00101 4342487 CCCC[N+]1(C)CCCCC1 +4.656 draft_01362_00102 76789 COc1cc(N)nc(OC)n1 +4.656 draft_01362_00103 94721 OC(=O)c1c2ccccc2nc3ccccc13 +4.674 draft_01362_00104 14419064 CC1(C)CC(CC(C)(C)N1)N(CCCCCCN(C=O)C2CC(C)(C)NC(C)(C)C2)C=O +4.675 draft_01362_00105 7155 Cc1ccccc1NC(=N)NC(N)=N +4.69 draft_01362_00106 2083 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 +4.692 draft_01362_00107 3417419 Nc1ccc(O)c(c1)[N+]([O-])=O +4.698 draft_01362_00108 9989939 CC(=C)C([O-])=NCCC[N+](C)(C)C +4.706 draft_01362_00109 2171 CC1(C)SC2C(N=C(O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O +4.71 draft_01362_00110 6009 CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O +4.729 draft_01362_00111 1326 Cn1cnc2C(=O)N(C)C(=O)N(C)c12 +4.733 draft_01362_00112 2782664 CCCCN1C=CN(C)[C]1C +4.753 draft_01362_00113 2725073 NCC(O)COc1ccccc1 +4.769 draft_01362_00114 163116 CNCc1oc(CSCCNC(NC)=C[N+]([O-])=O)cc1 +4.77 draft_01362_00115 76839 CCCC[P+](O)(O)[O-] +4.783 draft_01362_00116 2151 CN1N(c2ccccc2)C(=O)C(=C1C)N +4.783 draft_01362_00117 10423570 COc1cc(CC2=CNC(=N)NC2=N)cc(OC)c1O +4.785 draft_01362_00118 149 CSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23 +4.787 draft_01362_00119 13624 N=C1Nc2ccccc2N1 +4.802 draft_01362_00120 43309290 COCCOC(O)=Nc1cccc(N)c1 +4.808 draft_01362_00121 4173 Cc1ncc(n1CCO)[N+]([O-])=O +4.819 draft_01362_00122 10618 CNC1=C(C)N(C)N(C1=O)c2ccccc2 +4.823 draft_01362_00123 13035 CC1(C)CCCC(C)(C)N1 +4.832 draft_01362_00124 5039 CNC(NCCSCc1oc(CN(C)C)cc1)=C[N+]([O-])=O +4.84 draft_01362_00125 74603440 CNCC(CC(C)C)CC(O)=O +4.856 draft_01362_00126 5467 CCN(CC)CCN=C(O)c1cc(ccc1OC)[S](C)(=O)=O +4.863 draft_01362_00127 12731941 CCOC(=O)Nc1ccc(N)cc1 +4.875 draft_01362_00128 3928 CCCC1CC(N(C)C1)C(O)=NC(C(C)O)C2OC(SC)C(O)C(O)C2O +4.875 draft_01362_00129 3446 NCC1(CCCCC1)CC(O)=O +4.893 draft_01362_00130 10313 ON=C(O)c1ccccc1 +4.893 draft_01362_00131 62936 CC(C)NCC(O)COc1ccc(CC(O)=O)cc1 +4.91 draft_01362_00132 86863 OC(=O)C(C1CCCCN1)c2ccccc2 +4.911 draft_01362_00133 4915 CNNCc1ccc(cc1)C(=O)NC(C)C +4.912 draft_01362_00134 70976 CSC1=NC(=N)Nc2[nH]cnc12 +4.93 draft_01362_00135 18674614 CN1[CH]N(Cc2ccccc2)C=C1 +4.958 draft_01362_00136 5355 CCN1CCCC1CN=C(O)c2cc(ccc2OC)[S](N)(=O)=O +4.966 draft_01362_00137 1150 NCCc1c[nH]c2ccccc12 +4.966 draft_01362_00138 21453 COc1ccc(CC2=CNC(=N)NC2=N)cc1OC +4.966 draft_01362_00139 10541 CO[P+]([O-])(OC)OC +4.984 draft_01362_00140 4112 CN(CC1=NC2=C(N)NC(=N)N=C2N=C1)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O +5.021 draft_01362_00141 3913 C1CN2CC(N=C2S1)c3ccccc3 +5.021 draft_01362_00142 12849769 COc1cc(CC2=CNC(=N)NC2=N)cc(O)c1OC +5.022 draft_01362_00143 1983 CC(O)=Nc1ccc(O)cc1 +5.039 draft_01362_00144 33919 O[S](=O)(=O)c1ccc2nc([nH]c2c1)c3ccccc3 +5.039 draft_01362_00145 81312 O[P+](O)([O-])Cc1ccccc1 +5.057 draft_01362_00146 81295 CN1C(=O)N=C(O)C1(C)C +5.057 draft_01362_00147 5149725 COc1ccc2CC3C4C=CC(=O)C5Oc1c2C45CCN3C +5.057 draft_01362_00148 114962 COCC(O)c1ccc(OCC(O)CNC(C)C)cc1 +5.069 draft_01362_00149 7533 O[S](=O)(=O)NC1CCCCC1 +5.075 draft_01362_00150 25429 COC(O)=Nc1[nH]c2ccccc2n1 +5.082 draft_01362_00151 20120699 CCOC(O)=Nc1cccc(N)c1C +5.094 draft_01362_00152 17208 CC[N+](CC)(CC)Cc1ccccc1 +5.094 draft_01362_00153 1971 OCC1CC(C=C1)N2C=NC3=C(NC4CC4)NC(=N)N=C23 +5.112 draft_01362_00154 162181 CC(C)NCC(O)COc1ccc(CCO)cc1 +5.112 draft_01362_00155 5578 COc1cc(CC2=CNC(=N)NC2=N)cc(OC)c1OC +5.13 draft_01362_00156 4411 CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12 +5.137 draft_01362_00157 59708 CCC(N1CCCC1=O)C(O)=N +5.148 draft_01362_00158 2130 NC12CC3CC(CC(C3)C1)C2 +5.148 draft_01362_00159 4828 CC(C)NCC(O)COc1cccc2[nH]ccc12 +5.148 draft_01362_00160 79061 CC[P+]([O-])(CC)CC +5.155 draft_01362_00161 247635 [nH]1c2ccccc2nc1c3cccnc3 +5.162 draft_01362_00162 11206111 CC(N)c1sc2ccccc2n1 +5.162 draft_01362_00163 13414 Cc1ccc2nc(C)ccc2c1 +5.167 draft_01362_00164 4715169 CC(C)CC(CN)CC(O)=O +5.185 draft_01362_00165 3937 NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O +5.194 draft_01362_00166 76460731 OC(=O)C1CC(C=C1)N2C=NC3=C(NC4CC4)NC(=N)N=C23 +5.195 draft_01362_00167 5143 OC1=N[S](=O)(=O)c2ccccc12 +5.203 draft_01362_00168 5430 [nH]1c2ccccc2nc1c3cscn3 +5.203 draft_01362_00169 5546 NC1=C2N=C(C(=N)N=C2NC(=N)N1)c3ccccc3 +5.221 draft_01362_00170 49351 CC(O)=Nc1cc(cc(c1)C(O)=O)N=C(C)O +5.24 draft_01362_00171 5215 Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2 +5.24 draft_01362_00172 75771 On1nnc2ccccc12 +5.24 draft_01362_00173 216326 Nc1cccc2C(=O)N(Cc12)C3CCC(=NC3=O)O +5.276 draft_01362_00174 126969200 CN(C)[C@@H]1[C@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=C(C(O)=N)C1=O)O +5.276 draft_01362_00175 759421 Nc1cccc2nc([nH]c12)c3ccccc3 +5.337 draft_01362_00176 135399369 Oc1cccc2nn[nH]c12 +5.349 draft_01362_00177 4615046 CC[N+](CC)(CC=C)Cc1ccccc1 +5.349 draft_01362_00178 24415 CCNCC(O)=Nc1c(C)cccc1C +5.367 draft_01362_00179 5340 Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2 +5.367 draft_01362_00180 2174 CC1(C)SC2C(N=C(O)C(N)c3ccccc3)C(=O)N2C1C(O)=O +5.367 draft_01362_00181 125017 CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2 +5.367 draft_01362_00182 2265 Cn1cnc(c1Sc2ncnc3[nH]cnc23)[N+]([O-])=O +5.367 draft_01362_00183 521301 COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)C=CC35O +5.386 draft_01362_00184 64048 Oc1nc(O)c2ccccc2n1 +5.386 draft_01362_00185 130829 CN(C)CC1CCCCC1(O)c2cccc(O)c2 +5.399 draft_01362_00186 6101 Cc1ccc(cc1)[S](O)(=O)=O +5.404 draft_01362_00187 198059 C[N+](C)(C)Cc1ccc(C=C)cc1 +5.422 draft_01362_00188 10377584 CCNCC(O)COc1ccc(CCOC)cc1 +5.43 draft_01362_00189 135956782 COc1cc(CC2=C(N)NC(=N)N=C2O)cc(OC)c1OC +5.459 draft_01362_00190 4205 CN1CCN2C(C1)c3ccccc3Cc4cccnc24 +5.46 draft_01362_00191 54685734 CN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=C(C(O)=N)C1=O)O +5.477 draft_01362_00192 4649 Nc1ccc(C(O)=O)c(O)c1 +5.513 draft_01362_00193 5478 CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2 +5.55 draft_01362_00194 5336 Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2 +5.568 draft_01362_00195 2159 CCN1CCCC1CN=C(O)c2cc(c(N)cc2OC)[S](=O)(=O)CC +5.586 draft_01362_00196 54675779 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=C(C(O)=N)C1=O)O +5.586 draft_01362_00197 65743 CN1N(c2ccccc2)C(=O)C(=C1C)N=C(C)O +5.588 draft_01362_00198 351727 COC12C3NC3CN1C4=C(C2COC(O)=N)C(=O)C(=C(C)C4=O)N +5.59 draft_01362_00199 19266 CC(O)=Nc1ccc(cc1)C(O)=O +5.619 draft_01362_00200 70650729 CCN1CCCC1CN=C(O)c2cc(c(N)cc2O)[S](=O)(=O)CC +5.619 draft_01362_00201 102544 NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O +5.623 draft_01362_00202 2998624 C1CNCC(C1)c2sc3ccccc3n2 +5.623 draft_01362_00203 72666 CN1N(c2ccccc2)C(=O)C(=C1C)N=CO +5.641 draft_01362_00204 41049 CCC1(CCCCN(C)C1)c2cccc(O)c2 +5.641 draft_01362_00205 2340 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(O)=O +5.641 draft_01362_00206 2331 OC(=N)c1ccccc1 +5.65 draft_01362_00207 4631786 CCC(CC)OC1C=C(CC(N)C1N=C(C)O)C(O)=O +5.659 draft_01362_00208 3451347 CNCC(c1ccc(O)cc1)C2(O)CCCCC2 +5.666 draft_01362_00209 237358 CSc1ncnc2n(cnc12)C3OC(CO)C(O)C3O +5.683 draft_01362_00210 12124 CC(O)=Nc1cccc(O)c1 +5.696 draft_01362_00211 5395 CC1(C)CC(O)CC(C)(C)N1[O] +5.699 draft_01362_00212 10464751 CCC(N1CCCC1=O)C(O)=O +5.732 draft_01362_00213 18513318 CCCCCCN1[CH]N(C)C=C1 +5.75 draft_01362_00214 97987749 COc1ccc2nc([nH]c2c1)SCc3ncc(C(O)=O)c(OC)c3C +5.761 draft_01362_00215 2242 COC(=O)C(Cc1ccccc1)N=C(O)C(N)CC(O)=O +5.769 draft_01362_00216 5325 Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1 +5.769 draft_01362_00217 3676 CCN(CC)CC(O)=Nc1c(C)cccc1C +5.771 draft_01362_00218 5266 COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C +5.776 draft_01362_00219 9215 c1ccc2nc3ccccc3cc2c1 +5.823 draft_01362_00220 135403805 COC(=O)N=NC=C1C=[N+]([O-])c2ccccc2N1O +5.824 draft_01362_00221 14475217 CC(C)N=C(O)N[S](=O)(=O)C1=CNC=CC1=Nc2cccc(CO)c2 +5.842 draft_01362_00222 55287 CC(NC(CCc1ccccc1)C(O)=O)C(=O)C2CCCN2C(O)=O +5.86 draft_01362_00223 13734023 COc1cc(cc(OC)c1OC)C(=O)C2=CNC(=N)NC2=N +5.876 draft_01362_00224 7220 [nH]1nnc2ccccc12 +5.896 draft_01362_00225 264260 OCC(O)=Nc1ccccc1 +5.902 draft_01362_00226 5726 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N=C1O +5.903 draft_01362_00227 12855 [nH]1c2ccccc2nc1c3ccccc3 +5.915 draft_01362_00228 65130 NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1 +5.965 draft_01362_00229 1978 CCCC(O)=Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O +5.969 draft_01362_00230 124335 CN(C)[P](On1nnc2ccccc12)(N(C)C)N(C)C +5.969 draft_01362_00231 3918 CN1CCC23CCCCC2C1Cc4ccc(O)cc34 +5.981 draft_01362_00232 135495928 CCN=C1N=C(O)NC(=N1)NC(C)(C)C +5.997 draft_01362_00233 7656 C(NCc1ccccc1)c2ccccc2 +6.061 draft_01362_00234 725982 Cc1ccc(cc1)c2[nH]c3ccccc3n2 +6.079 draft_01362_00235 5077 CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C +6.115 draft_01362_00236 5327 Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1 +6.124 draft_01362_00237 135413636 Cc1nnc(c(O)n1)c2ccccc2 +6.134 draft_01362_00238 101570 C[N+](C)(Cc1ccccc1)Cc2ccccc2 +6.152 draft_01362_00239 5291 CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 +6.17 draft_01362_00240 54055259 COc1ccc2nc([nH]c2c1)SCC3=C(C)C(=O)C(=CN3)C +6.207 draft_01362_00241 416172 COc1ccc2CC3C4C=CC(OC(C)=O)C5Oc1c2C45CCN3C +6.207 draft_01362_00242 5523 COc1cccc(c1)C2(O)CCCCC2CN(C)C +6.225 draft_01362_00243 18075 O=C1C=CC=CC1=C2Nc3ccccc3N2 +6.225 draft_01362_00244 4509 OC1=NC(=O)N(C1)N=Cc2oc(cc2)[N+]([O-])=O +6.225 draft_01362_00245 759420 COc1ccccc1c2[nH]c3ccccc3n2 +6.233 draft_01362_00246 17520 Oc1nsc2ccccc12 +6.246 draft_01362_00247 198555 CNCC1CCCCC1(O)c2cccc(OC)c2 +6.249 draft_01362_00248 2269 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O +6.261 draft_01362_00249 2206 CN1N(C(=O)C=C1C)c2ccccc2 +6.316 draft_01362_00250 9795857 COc1ccc(cc1)C(CN)C2(O)CCCCC2 +6.334 draft_01362_00251 22016064 COc1cccc(c1)C2(O)CCCCC2C[N+](C)(C)[O-] +6.353 draft_01362_00252 4909 CCC1(C(=NCN=C1O)O)c2ccccc2 +6.425 draft_01362_00253 57782 CC(O)CCCCN1C(=O)N(C)c2ncn(C)c2C1=O +6.444 draft_01362_00254 3501942 CNCC(c1ccc(OC)cc1)C2(O)CCCCC2 +6.462 draft_01362_00255 4594 COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C +6.48 draft_01362_00256 586744 CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2 +6.499 draft_01362_00257 54681536 CC1C2C(O)C3C(N(C)C)C(=O)C(=C(O)C3(O)C(=O)C2=C(O)c4c(O)cccc14)C(O)=N +6.5 draft_01362_00258 30647 O[S](=O)(=O)c1sc2ccccc2n1 +6.508 draft_01362_00259 5827 COc1ccc(cc1)N=C(C)O +6.517 draft_01362_00260 242786 CN(C)c1ccc(cc1)c2[nH]c3ccccc3n2 +6.532 draft_01362_00261 2663 CCN(CC)C(O)=Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O +6.572 draft_01362_00262 164282 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2 +6.579 draft_01362_00263 40854 COC(O)=Nc1[nH]c2cc(ccc2n1)[S](=O)c3ccccc3 +6.608 draft_01362_00264 223943 CC(O)C(O)=Nc1ccccc1 +6.626 draft_01362_00265 5656 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2 +6.644 draft_01362_00266 15723 OC(C1CCNCC1)(c2ccccc2)c3ccccc3 +6.653 draft_01362_00267 4054 CC12CC3CC(C)(C1)CC(N)(C3)C2 +6.663 draft_01362_00268 4622 CCCOc1ccc2nc([nH]c2c1)N=C(O)OC +6.663 draft_01362_00269 83852 OC1C(O)c2ccccc2N(C(O)=N)c3ccccc13 +6.742 draft_01362_00270 904 CC(O)=Nc1ccccc1 +6.754 draft_01362_00271 61356 [O-]C(=O)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 +6.763 draft_01362_00272 229639 CC(O)C(=O)N(C)c1ccccc1 +6.763 draft_01362_00273 86290104 COCCN(C(=O)C[S](O)(=O)=O)c1c(C)cccc1C +6.772 draft_01362_00274 114821 Cc1onc(N[S](=O)(=O)c2ccc(NO)cc2)c1 +6.772 draft_01362_00275 4740 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 +6.783 draft_01362_00276 38854 CC1=NN=C(c2ccccc2)C(=O)N1N +6.827 draft_01362_00277 98889 CN1N(c2ccccc2)C(=O)C(=C1C)O +6.855 draft_01362_00278 2630 CCN1CCN(C(O)=NC(C(O)=NC2C3SCC(=C(N3C2=O)C(O)=O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O +6.882 draft_01362_00279 71739 CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12 +6.955 draft_01362_00280 9015 COc1ccc(O)cc1 +6.973 draft_01362_00281 155712 CCN(CC)C(=O)c1cccc(CO)c1 +7.021 draft_01362_00282 8705 Cc1ccc2nn[nH]c2c1 +7.036 draft_01362_00283 6426850 COCC(C)N(C(=O)C[S](O)(=O)=O)c1c(C)scc1C +7.046 draft_01362_00284 4209 COC1=C(C)C(=O)C2=C(C(COC(O)=N)C3(OC)C4NC4CN23)C1=O +7.064 draft_01362_00285 31703 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO +7.064 draft_01362_00286 2369 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 +7.067 draft_01362_00287 5326566 Cc1cc2nc3nc(O)nc(O)c3nc2cc1C +7.077 draft_01362_00288 3540259 CCN(Cc1cccc(c1)[S](O)(=O)=O)c2ccc(cc2)C(=C3C=CC(C=C3)=[N+](CC)Cc4cccc(c4)[S](O)(=O)=O)c5ccccc5[S]([O-])(=O)=O +7.083 draft_01362_00289 17134 COc1ncnc(N[S](=O)(=O)c2ccc(N)cc2)c1OC +7.09 draft_01362_00290 8420 O[S](=O)(=O)c1ccc2ccccc2c1 +7.099 draft_01362_00291 11470 CC(=O)c1ccc(cc1)C(O)=O +7.101 draft_01362_00292 12696 CC(C)(C)[PH+]([O-])C(C)(C)C +7.101 draft_01362_00293 494065 OCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.137 draft_01362_00294 19667 C[N+](C)(CCOc1ccccc1)Cc2ccccc2 +7.19 draft_01362_00295 114709 OC1Cc2ccccc2N(C(O)=N)c3ccccc13 +7.192 draft_01362_00296 74506 C[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.192 draft_01362_00297 129743104 [O-]C(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 +7.24 draft_01362_00298 15567 O[P+]([O-])(c1ccccc1)c2ccccc2 +7.242 draft_01362_00299 9417 OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1 +7.246 draft_01362_00300 76559643 COc1ccc(cc1)C(C[N+](C)(C)[O-])C2(O)CCCCC2 +7.246 draft_01362_00301 5329 Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1 +7.265 draft_01362_00302 17732 Oc1ccc(cc1)C2(N=C(O)N=C2O)c3ccccc3 +7.28 draft_01362_00303 196995 CC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.283 draft_01362_00304 135398744 CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4 +7.301 draft_01362_00305 4463 Cc1ccnc2N(C3CC3)c4ncccc4C(=Nc12)O +7.352 draft_01362_00306 72085 CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)C(O)=O +7.356 draft_01362_00307 4946 CC(C)NCC(O)COc1cccc2ccccc12 +7.356 draft_01362_00308 158781 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(O)=O)C(C)(C)O +7.356 draft_01362_00309 155713 CCN(CC)C(=O)c1cccc(c1)C(O)=O +7.356 draft_01362_00310 54677971 CN1C(=C(O)c2sccc2[S]1(=O)=O)C(O)=Nc3ccccn3 +7.374 draft_01362_00311 7135 COc1ccccc1N=C(C)O +7.392 draft_01362_00312 73728 CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.392 draft_01362_00313 4928 COC1=NC(NC(N1)=NC(C)C)=NC(C)C +7.402 draft_01362_00314 279581 OC1=NC(=O)C2(CCCCC2)C1 +7.406 draft_01362_00315 6535 CCO[P+]([O-])(OCC)OCC +7.411 draft_01362_00316 853560 N[P+]([O-])(c1ccccc1)c2ccccc2 +7.411 draft_01362_00317 5596 OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5 +7.411 draft_01362_00318 65280 CC(O)=Nc1ccc(cc1)[S](=O)(=O)Nc2cc(C)on2 +7.429 draft_01362_00319 4636 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C +7.429 draft_01362_00320 3152 COc1cc2CC(CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC +7.429 draft_01362_00321 176870 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC +7.447 draft_01362_00322 3158 CN(C)CCC=C1c2ccccc2COc3ccccc13 +7.447 draft_01362_00323 188543 CN(CC=CC#CC(C)(C)C(O)=O)Cc1cccc2ccccc12 +7.465 draft_01362_00324 22610356 CCCCCC[N+](C)(C)Cc1ccccc1 +7.476 draft_01362_00325 19988 COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 +7.476 draft_01362_00326 129274 OC(=N)N1c2ccccc2C=Cc3cc(O)ccc13 +7.492 draft_01362_00327 41867 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO +7.493 draft_01362_00328 260003 OC(=O)CC1(CCCCC1)C(O)=O +7.502 draft_01362_00329 2723799 COC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.538 draft_01362_00330 21321822 CCCCCCCCN1[CH]N(C)C=C1 +7.557 draft_01362_00331 15555156 OCc1coc(n1)c2ccccc2 +7.557 draft_01362_00332 5344 Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C +7.557 draft_01362_00333 40791 CNCCOC(c1ccccc1)c2ccccc2 +7.575 draft_01362_00334 24984926 CC[N+](CC)(CC([O-])=Nc1c(C)cccc1C)Cc2ccccc2 +7.587 draft_01362_00335 7456 COC(=O)c1ccc(O)cc1 +7.593 draft_01362_00336 2555 OC(=N)N1c2ccccc2C3OC3c4ccccc14 +7.593 draft_01362_00337 47457 OC1=NCC2(CCCCC2)C1 +7.633 draft_01362_00338 41781 CC(C)N=C(O)N[S](=O)(=O)C1=CNC=CC1=Nc2cccc(C)c2 +7.633 draft_01362_00339 8357 COc1cc(cc(OC)c1OC)C(O)=O +7.666 draft_01362_00340 3108 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO +7.696 draft_01362_00341 5151398 CCN=C(O)NC1CCCCC1 +7.709 draft_01362_00342 7684 CC(O)=Nc1ccc(C)cc1 +7.721 draft_01362_00343 2723784 CC(C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.721 draft_01362_00344 3100 CN(C)CCOC(c1ccccc1)c2ccccc2 +7.721 draft_01362_00345 494138 COC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.75 draft_01362_00346 36879 CSC(C)C(C)=NOC(O)=NC +7.776 draft_01362_00347 13625 Oc1sc2ccccc2n1 +7.786 draft_01362_00348 2723932 C1CC1[P](c2ccccc2)(c3ccccc3)c4ccccc4 +7.849 draft_01362_00349 5038 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(O)=O +7.852 draft_01362_00350 3255 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O +7.88 draft_01362_00351 88068 COC(=O)c1cccc(O)c1 +7.917 draft_01362_00352 135290 OC(=N)N1c2ccccc2C=Cc3ccc(O)cc13 +7.928 draft_01362_00353 2724215 C#CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +7.958 draft_01362_00354 32485 CCc1cccc(C)c1N +7.976 draft_01362_00355 2724169 C1COC(CC[P](c2ccccc2)(c3ccccc3)c4ccccc4)OC1 +7.995 draft_01362_00356 4927 CC(CN1c2ccccc2Sc3ccccc13)N(C)C +8 draft_01362_00357 73732 CCOC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.012 draft_01362_00358 77849 Cc1cc2[nH]nnc2cc1C +8.013 draft_01362_00359 7881 CCCCO[P](O)(=O)OCCCC +8.027 draft_01362_00360 19388302 OC(=O)c1ccc(cc1)c2ccccc2c3n[nH]nn3 +8.086 draft_01362_00361 87674 CCOC(=O)C(C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.09 draft_01362_00362 5323 COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1 +8.14 draft_01362_00363 13282 O[P](=O)(Oc1ccccc1)Oc2ccccc2 +8.159 draft_01362_00364 76845 Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35 +8.178 draft_01362_00365 5062352 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C +8.2 draft_01362_00366 21902176 COCCCOc1cc(CC(CC(N)C(O)CC(C(C)C)C(O)=NCC(C)(C)C(O)=N)C(C)C)ccc1OC +8.208 draft_01362_00367 86290064 COCC(C)N(C(=O)C(O)=O)c1c(C)scc1C +8.21 draft_01362_00368 10443535 CC(C(O)=O)c1ccc(CC(C)(C)O)cc1 +8.232 draft_01362_00369 110678 CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2 +8.247 draft_01362_00370 6426849 CCc1cccc(C)c1N(C(C)COC)C(=O)C[S](O)(=O)=O +8.264 draft_01362_00371 712377 Sc1oc2ccccc2n1 +8.303 draft_01362_00372 3630851 COC(=O)CCCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.323 draft_01362_00373 3640 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23 +8.323 draft_01362_00374 5128037 COCCOC(O)=Nc1ccc(C)c(c1)N=C(O)OCCOC +8.341 draft_01362_00375 4691582 C(c1ccccn1)[P](c2ccccc2)(c3ccccc3)c4ccccc4 +8.341 draft_01362_00376 157881 COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1 +8.341 draft_01362_00377 93103 CCN=C(O)c1cccc(C)c1 +8.373 draft_01362_00378 8571 Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O +8.396 draft_01362_00379 521440 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23 +8.404 draft_01362_00380 2086 CSC(C)(C)C=NOC(O)=NC +8.432 draft_01362_00381 4894 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO +8.432 draft_01362_00382 122252 CNCCC(Oc1cccc2ccccc12)c3sccc3 +8.432 draft_01362_00383 4345423 Nc1ccccc1C[P](c2ccccc2)(c3ccccc3)c4ccccc4 +8.469 draft_01362_00384 4900 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO +8.469 draft_01362_00385 17451 COC(O)=Nc1ccccc1 +8.483 draft_01362_00386 10444113 CC(Cc1ccc(cc1)C(C)C(O)=O)C(O)=O +8.5 draft_01362_00387 162920 CC(C(O)=O)c1ccc2cc(O)ccc2c1 +8.5 draft_01362_00388 2015 O=C1c2ccccc2Nc3ccccc13 +8.524 draft_01362_00389 21126562 [O]N([O-])c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 +8.542 draft_01362_00390 2520 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC +8.542 draft_01362_00391 7470 Cc1ccc(cc1)C(O)=O +8.546 draft_01362_00392 2082 CCCSc1ccc2nc([nH]c2c1)N=C(O)OC +8.59 draft_01362_00393 7418 Cc1cccc(c1)C(O)=O +8.6 draft_01362_00394 5052 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 +8.633 draft_01362_00395 164912 c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)c4ccccc4 +8.636 draft_01362_00396 4889 CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12 +8.651 draft_01362_00397 13263 CCN=C1NC(NC(=N1)SC)=NC(C)C +8.67 draft_01362_00398 611697 CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2=O +8.67 draft_01362_00399 78203 COC[P+]([O-])(c1ccccc1)c2ccccc2 +8.672 draft_01362_00400 4030 COC(O)=Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3 +8.7 draft_01362_00401 3348 CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 +8.706 draft_01362_00402 70672 C(c1ccccc1)[P](c2ccccc2)(c3ccccc3)c4ccccc4 +8.708 draft_01362_00403 2160 CN(C)CCC=C1c2ccccc2CCc3ccccc13 +8.761 draft_01362_00404 22074237 CCCC[P](CCCC)(CCCC)CC1OCCO1 +8.779 draft_01362_00405 7222 s1cnc2ccccc12 +8.816 draft_01362_00406 3560758 OC(=O)c1cccc2C(=O)c3ccccc3Nc12 +8.816 draft_01362_00407 74423 CC[P+]([O-])(c1ccccc1)c2ccccc2 +8.816 draft_01362_00408 101593708 CCN=C1N=C(NC(=N1)[S](C)=O)NC(C)(C)C +8.832 draft_01362_00409 36339 CCOC(=O)c1cncn1C(C)c2ccccc2 +8.834 draft_01362_00410 2733854 CC(C)(C)OC(=O)C[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.834 draft_01362_00411 8434 CCOC(=O)c1ccc(O)cc1 +8.85 draft_01362_00412 2794932 CC(=O)OCCCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.852 draft_01362_00413 159629 CCCC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +8.861 draft_01362_00414 4663848 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC +8.861 draft_01362_00415 65999 CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C +8.87 draft_01362_00416 7479 CN(C)c1ccc(C=O)cc1 +8.87 draft_01362_00417 2554 OC(=N)N1c2ccccc2C=Cc3ccccc13 +8.874 draft_01362_00418 3804 COC1C(CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)OC(C)=O +8.957 draft_01362_00419 69297 ON(Cc1ccccc1)Cc2ccccc2 +8.999 draft_01362_00420 270655 CC(C)C(N=C(O)OC(C)(C)C)C(O)=O +9.016 draft_01362_00421 4159 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14 +9.016 draft_01362_00422 16559 OC1=NC2=C(CCC2)C(=O)N1C3CCCCC3 +9.017 draft_01362_00423 494184 CC(C)=CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +9.034 draft_01362_00424 13741 CCCCCCCC[N+](C)(C)Cc1ccccc1 +9.034 draft_01362_00425 12462 COc1cccc(OC)c1OC +9.053 draft_01362_00426 74189 O[P](=O)(OCc1ccccc1)OCc2ccccc2 +9.082 draft_01362_00427 591790 C1CCC(CC1)N=C2Nc3ccccc3S2 +9.12 draft_01362_00428 697993 Sc1sc2ccccc2n1 +9.126 draft_01362_00429 124611 CCCC[N+](CCCC)(CCCC)Cc1ccccc1 +9.176 draft_01362_00430 1775 OC1=NC(c2ccccc2)(c3ccccc3)C(=N1)O +9.189 draft_01362_00431 13101 CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1 +9.196 draft_01362_00432 6372861 O=C(C[P](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4 +9.209 draft_01362_00433 1493 Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O +9.217 draft_01362_00434 5339 OC(=O)C1=CC(C=CC1=O)=NNc2ccc(cc2)[S](=O)(=O)Nc3ccccn3 +9.235 draft_01362_00435 19099 OC(=N)N1c2ccccc2CCc3ccccc13 +9.29 draft_01362_00436 58705182 CN(C)[C]1C=CC(C=C1)=C(c2ccccc2)c3ccc(cc3)N(C)C +9.296 draft_01362_00437 3016976 CCOC(=C)[P](c1ccccc1)(c2ccccc2)c3ccccc3 +9.314 draft_01362_00438 2759380 CC(C)CC[P](c1ccccc1)(c2ccccc2)c3ccccc3 +9.345 draft_01362_00439 3749 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5 +9.363 draft_01362_00440 77901 C1CN(CCO1)c2sc3ccccc3n2 +9.381 draft_01362_00441 4659568 CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N +9.396 draft_01362_00442 70837 Oc1ccc(c(O)c1O)C(=O)c2ccccc2 +9.454 draft_01362_00443 2724471 CCOc1ccc(C[P](c2ccccc2)(c3ccccc3)c4ccccc4)cc1 +9.472 draft_01362_00444 13583 CCCCCCCCCCCCN +9.472 draft_01362_00445 5452 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1 +9.472 draft_01362_00446 4944 CN=C(O)Oc1ccccc1OC(C)C +9.499 draft_01362_00447 3826 OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3 +9.527 draft_01362_00448 16850 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1 +9.527 draft_01362_00449 91695 CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C +9.527 draft_01362_00450 54676228 CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(O)=Nc3ccccn3 +9.527 draft_01362_00451 4929 CSC1=NC(NC(N1)=NC(C)C)=NC(C)C +9.545 draft_01362_00452 3778 CC(C)C1=C(C)N(C)N(c2ccccc2)C1=O +9.545 draft_01362_00453 79683 CCOC(O)=N[S](=O)(=O)c1ccc(C)cc1 +9.588 draft_01362_00454 8885 CCCCCCCCO[S](O)(=O)=O +9.655 draft_01362_00455 23661 O=C1CC2(CCCCC2)CO1 +9.655 draft_01362_00456 75312 CCCC[P](CCCC)(CCCC)CCCC +9.655 draft_01362_00457 5402 CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12 +9.673 draft_01362_00458 13450 CCN=C1N=C(NC(=N1)SC)NC(C)(C)C +9.728 draft_01362_00459 6379708 C(COCc1ccccc1)C[P](c2ccccc2)(c3ccccc3)c4ccccc4 +9.746 draft_01362_00460 2566 CN=C(O)Oc1cccc2CC(C)(C)Oc12 +9.783 draft_01362_00461 29216 CN=C(O)N(C)c1sc2ccccc2n1 +9.801 draft_01362_00462 4687521 CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c5ccc6OCOc6c5)C1=O +9.802 draft_01362_00463 18391 CSc1ccc(O)cc1C +9.91 draft_01362_00464 330433 CCOCCOC(O)=Nc1ccc(C)c(c1)N=C(O)OCCOCC +9.915 draft_01362_00465 15842092 CCc1cccc(C)c1N(C(C)COC)C(=O)C(O)=O +9.947 draft_01362_00466 3334 COC(O)=Nc1[nH]c2cc(Sc3ccccc3)ccc2n1 +9.956 draft_01362_00467 155886663 CC12CC=C3C(CCc4cc(O)ccc34)C1CCC2(O)CC#N +9.974 draft_01362_00468 76415573 CCC(CC)COC(=O)C(C)N[P+]([O-])(OCC1OC(C#N)(C(O)C1O)c2ccc3n2ncnc3N)Oc4ccccc4 +9.974 draft_01362_00469 67215 CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C +9.978 draft_01362_00470 9685 CC12CCC3C(CCc4cc(O)c(O)cc34)C1CCC2=O +10.001 draft_01362_00471 2541 CCOc1nc2cccc(C(O)=O)c2n1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5 +10.025 draft_01362_00472 11409499 COC(=O)c1ccc(CN[S](C)(=O)=O)cc1[S](=O)(=O)NC(O)=Nc2nc(OC)cc(OC)n2 +10.034 draft_01362_00473 31208 Oc1ccc(Nc2ccccc2)cc1 +10.045 draft_01362_00474 65820 CC(C)(C(O)=O)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 +10.056 draft_01362_00475 343975 CCOC(O)=Nc1ccc(C)c(c1)N=C(O)OCC +10.084 draft_01362_00476 9016 COc1ccc(OC)cc1 +10.147 draft_01362_00477 6129 CN=C(O)Oc1cccc2ccccc12 +10.17 draft_01362_00478 42586 COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C +10.17 draft_01362_00479 107970 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 +10.202 draft_01362_00480 91590 CSC1=NC(=NC2CC2)N=C(N1)NC(C)(C)C +10.239 draft_01362_00481 11499530 CC(C)C(=O)c1ccc(cc1)C(C)C(O)=O +10.257 draft_01362_00482 36679 CC(C)c1ccc(NC(=O)N(C)C)cc1 +10.259 draft_01362_00483 544877 OC(NC1CCCCC1)=NCc2ccccc2 +10.293 draft_01362_00484 220502 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C +10.348 draft_01362_00485 4547 CCOc1cc(CC(O)=NC(CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O +10.366 draft_01362_00486 13763 CCCCCCCCCC[N+](C)(C)Cc1ccccc1 +10.391 draft_01362_00487 4487554 CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C3=CC4C5CC(CC5C=CC4C3CC(=O)O1)OC6OC(C)C(OC)C(OC)C6OC +10.403 draft_01362_00488 549976 CC1(C)CCCC(C)(C)N1[O] +10.403 draft_01362_00489 450 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O +10.421 draft_01362_00490 220503 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O +10.421 draft_01362_00491 4284 CCN(CC)C(=O)c1cccc(C)c1 +10.439 draft_01362_00492 32518 CCCCCCCCCCCCCN1CC(C)OC(C)C1 +10.458 draft_01362_00493 13097 [O-][P+](c1ccccc1)(c2ccccc2)c3ccccc3 +10.549 draft_01362_00494 624988 COc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1 +10.616 draft_01362_00495 23568 CCOc1ccc2ccccc2c1C(O)=NC3C4SC(C)(C)C(N4C3=O)C(O)=O +10.686 draft_01362_00496 87895 CCOC(=O)c1ccc(O)c(c1)[N+]([O-])=O +10.768 draft_01362_00497 4614670 CCOCCOC(=O)Nc1ccc(C)cc1 +10.768 draft_01362_00498 4891 O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4 +10.786 draft_01362_00499 14373162 CCC(C)(C)C(=O)OC1CC(CO)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 +10.796 draft_01362_00500 10168 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 +10.822 draft_01362_00501 76293 [O-][P+](Cc1ccccc1)(c2ccccc2)c3ccccc3 +10.83 draft_01362_00502 86367 Cc1cc(nc(Nc2ccccc2)n1)C3CC3 +10.873 draft_01362_00503 10546 CCCO[P+]([O-])(OCCC)OCCC +10.877 draft_01362_00504 3825 CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2 +10.896 draft_01362_00505 4485 COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OC)C +10.896 draft_01362_00506 4161438 CCCCCCCCCCC(C(=O)c1ccc(OC)c(OC)c1)[N+](C)(C)C +10.907 draft_01362_00507 1302 COc1ccc2cc(ccc2c1)C(C)C(O)=O +10.968 draft_01362_00508 5408 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O +10.97 draft_01362_00509 8572 Oc1ccc(c(O)c1)C(=O)c2ccccc2 +10.987 draft_01362_00510 100478 COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC +11.026 draft_01362_00511 3509937 Cc1ccccc1NC(O)=NC2CCCCC2 +11.041 draft_01362_00512 2462 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO +11.062 draft_01362_00513 69232 Cc1ccccc1NC(O)=Nc2ccccc2C +11.066 draft_01362_00514 13254 Oc1ccc(Oc2ccccc2)cc1 +11.112 draft_01362_00515 699 CC12CCC3C(CCc4cc(O[S](O)(=O)=O)ccc34)C1CCC2=O +11.114 draft_01362_00516 4659569 Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O +11.114 draft_01362_00517 13138 CCCC[P+]([O-])(CCCC)CCCC +11.133 draft_01362_00518 4537 CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C +11.224 draft_01362_00519 698 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O +11.242 draft_01362_00520 4595868 CCCCCCCCCCC(C(=O)OC)[N+](C)(C)Cc1ccccc1 +11.279 draft_01362_00521 5011424 CCCCCCCCCCC(C(=O)c1ccc(OC)cc1)[N+](C)(C)C +11.443 draft_01362_00522 5650 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)C(C(C)C)C(O)=O +11.461 draft_01362_00523 2335 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 +11.57 draft_01362_00524 4160 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C +11.589 draft_01362_00525 76 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O +11.589 draft_01362_00526 8754 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 +11.644 draft_01362_00527 99393 [O-][P+](Cc1ccccc1)(Cc2ccccc2)Cc3ccccc3 +11.662 draft_01362_00528 3288 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C +11.716 draft_01362_00529 3346292 CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)Cc1ccccc1 +11.753 draft_01362_00530 8569 COc1ccc(c(O)c1)C(=O)c2ccccc2O +11.765 draft_01362_00531 53395233 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(N=C(O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C)c5n6ccc(C)cc6nc5c4c3C2=O +11.775 draft_01362_00532 62907 CCN=C(O)C1CC(C)CCC1C(C)C +11.788 draft_01362_00533 3342 CC(C(O)=O)c1cccc(Oc2ccccc2)c1 +11.808 draft_01362_00534 521928 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C +11.855 draft_01362_00535 33528 CCCCCCCCN1SC=CC1=O +11.936 draft_01362_00536 6914821 CC(C)OC(O)=NC(C(C)C)C(O)=NC(C)c1ccc(C)cc1 +12.027 draft_01362_00537 3149 CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 +12.063 draft_01362_00538 4542 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C +12.118 draft_01362_00539 104865 COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4 +12.209 draft_01362_00540 11989 CSc1sc2ccccc2n1 +12.265 draft_01362_00541 152326 c1ccc(cc1)[P](N=[P](c2ccccc2)(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6 +12.282 draft_01362_00542 14843 Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C +12.373 draft_01362_00543 4507 CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC)C +12.4 draft_01362_00544 31362 CC(C)CC(C)(O)C#CC(C)(O)CC(C)C +12.417 draft_01362_00545 30692 N#CSCSc1sc2ccccc2n1 +12.497 draft_01362_00546 8981 CC1=CC(C)(C)Nc2ccccc12 +12.524 draft_01362_00547 541103 CC1CC2C(CCC3(C)C2CCC3(O)C(C)=O)C4(C)CCC(=O)C=C14 +12.596 draft_01362_00548 27189 CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 +12.61 draft_01362_00549 10251 O=C1CC(Oc2ccccc12)c3ccccc3 +12.658 draft_01362_00550 3045266 CCCCCCCCCCCCCC(=O)OCC(O)CO[P+]([O-])([O-])OCC[N+](C)(C)C +12.676 draft_01362_00551 5076 CC(C)C(N=C(O)N(C)Cc1csc(n1)C(C)C)C(O)=NC(CC(O)C(Cc2ccccc2)N=C(O)OCc3scnc3)Cc4ccccc4 +12.683 draft_01362_00552 8570 COc1ccc(c(O)c1)C(=O)c2ccc(OC)cc2O +12.702 draft_01362_00553 5072621 CCCCCCCCCCCCOCC[N+](C)(C)Cc1ccccc1 +12.775 draft_01362_00554 8756 CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 +12.828 draft_01362_00555 43467 CC(C)O[P+]([O-])(Oc1ccccc1)Oc2ccccc2 +12.85 draft_01362_00556 3672 CC(C)Cc1ccc(cc1)C(C)C(O)=O +12.884 draft_01362_00557 139033776 CCC(CCC(C)O)COC(=O)c1ccccc1O +12.939 draft_01362_00558 4004 CCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC +12.994 draft_01362_00559 14178862 CCCCCCCCCCCCCCCCN1[CH]C=CC=C1 +13.03 draft_01362_00560 8348 Oc1ccccc1C(=O)c2ccccc2 +13.067 draft_01362_00561 51605 CCOC(O)=NCCOc1ccc(Oc2ccccc2)cc1 +13.085 draft_01362_00562 135449328 COCC(O)=Nc1cc(Sc2ccccc2)ccc1N=C(N=C(O)OC)N=C(O)OC +13.103 draft_01362_00563 4781 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 +13.113 draft_01362_00564 7108 N1c2ccccc2Sc3ccccc13 +13.184 draft_01362_00565 54455346 CNC(=O)C(=NOC)c1ccccc1COc2cc(C)ccc2C +13.267 draft_01362_00566 3271 CC12CCC3C(CCc4cc(OCc5ccccc5)ccc34)C1CC(O)C2O +13.504 draft_01362_00567 4632 COc1ccc(c(O)c1)C(=O)c2ccccc2 +13.596 draft_01362_00568 4583936 CCCCCCCCCCC(C(=O)OCCCCCC)[N+](C)(C)Cc1ccccc1 +13.596 draft_01362_00569 243274 CCOC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 +13.705 draft_01362_00570 9837816 OC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 +13.723 draft_01362_00571 4042 CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C4(C)CCC(=O)C=C14 +13.742 draft_01362_00572 75993 CCSc1sc2ccccc2n1 +13.796 draft_01362_00573 4920 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C +13.815 draft_01362_00574 139593917 CCC(CCC(C)O)COC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 +13.833 draft_01362_00575 7231 C1CN(CCO1)SSc2sc3ccccc3n2 +13.85 draft_01362_00576 219958 CC(C)(c1ccc(O)c(c1)[N+]([O-])=O)c2ccc(O)c(c2)[N+]([O-])=O +13.854 draft_01362_00577 14994 CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O +13.862 draft_01362_00578 31357 CCCCO[P+]([O-])(OCCCC)OCCCC +13.869 draft_01362_00579 31203 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 +14.015 draft_01362_00580 31355 CC(C)CO[P+]([O-])(OCC(C)C)OCC(C)C +14.07 draft_01362_00581 8289 [O-][P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 +14.088 draft_01362_00582 166480 Cc1cc(C)c(c(C)c1)C(=O)[P+]([O-])(c2ccccc2)c3ccccc3 +14.103 draft_01362_00583 4168643 OC(=NC1CCCCC1)N(Cc2ccccc2)Cc3ccccc3 +14.107 draft_01362_00584 991 CCO[P+]([S-])(OCC)Oc1ccc(cc1)[N+]([O-])=O +14.18 draft_01362_00585 4760 O=C1C(c2ccccc2)C(=O)c3ccccc13 +14.45 draft_01362_00586 157898 CC(CC(C)(C)C)C[P+](O)([O-])CC(C)CC(C)(C)C +14.508 draft_01362_00587 19758 [S-][P+](c1ccccc1)(c2ccccc2)c3ccccc3 +14.526 draft_01362_00588 3017 CCO[P+]([S-])(OCC)Oc1cc(C)nc(n1)C(C)C +14.542 draft_01362_00589 15089684 O=C1OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c3ccc(cc3)C(=O)OCCOC(=O)c4ccc1cc4 +14.544 draft_01362_00590 4080 COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1 +14.544 draft_01362_00591 6319 N(c1ccccc1)c2ccc(Nc3ccccc3)cc2 +14.611 draft_01362_00592 16217941 CCOC(=O)c1cccc(c1)N2CCN(CC2)C(=O)OC(C)(C)C +14.631 draft_01362_00593 6540 CCCCOCCO[P+]([O-])(OCCOCCCC)OCCOCCCC +14.718 draft_01362_00594 24228 Oc1cc2ccccc2nc1C3C(=O)c4ccccc4C3=O +14.861 draft_01362_00595 9839306 CC(C)=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C +14.891 draft_01362_00596 183729 CCCCCCCCCCCCCC[P](CCCC)(CCCC)CCCC +14.914 draft_01362_00597 8778 CCCCCCCCCCCCO[S](O)(=O)=O +14.942 draft_01362_00598 86554 CCCCCCCCCCCCCCCC(=O)OCC(O)CO[P+]([O-])([O-])OCC[N+](C)(C)C +14.946 draft_01362_00599 31205 CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 +15.201 draft_01362_00600 17113 Cc1ccc(O)c(c1)n2nc3ccccc3n2 +15.246 draft_01362_00601 11365502 CCCCCCCCCCCCCCCC(=O)OCC(CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC(O)=O +15.402 draft_01362_00602 90303 CCOc1ccccc1NC(=O)C(=O)Nc2ccccc2CC +15.438 draft_01362_00603 4677798 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12 +15.467 draft_01362_00604 62020 CCCN(CCC)C(=O)SCc1ccccc1 +15.53 draft_01362_00605 5510 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3 +15.788 draft_01362_00606 34148 CC(C)c1ccccc1O[P+]([O-])(Oc2ccccc2)Oc3ccccc3 +15.87 draft_01362_00607 93311 [O-][P+](Oc1ccccc1)(Oc2ccccc2)Oc3cccc(O[P+]([O-])(Oc4ccccc4)Oc5ccccc5)c3 +15.924 draft_01362_00608 6529 Cc1ccc(O[P+]([O-])(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1 +15.985 draft_01362_00609 14425 CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 +16.04 draft_01362_00610 84717 CCCCCCCCCCCCCCCC[P](CCCC)(CCCC)CCCC +16.132 draft_01362_00611 11442 CC(C)=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C +16.132 draft_01362_00612 135503327 CCC[C](NOCC)=[C]1C(=O)C[CH](CC(C)SCC)CC1=O +16.157 draft_01362_00613 4868768 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(N=C(C)O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C +16.198 draft_01362_00614 38479 CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O +16.405 draft_01362_00615 2785208 CCCCCCCC[P](CCCCCCCC)(CCCCCCCC)CCCCCCCC +16.989 draft_01362_00616 14716 CCCCC(CC)CO[P+]([O-])(Oc1ccccc1)Oc2ccccc2 +17.125 draft_01362_00617 11181837 CCCCCCCCCCCCCC[P](CCCCCC)(CCCCCC)CCCCCC +17.429 draft_01362_00618 34149 CC(C)c1ccccc1O[P+]([O-])(Oc2ccccc2)Oc3ccccc3C(C)C +17.591 draft_01362_00619 82146 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C +17.664 draft_01362_00620 22571 CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c2ccccc2 +17.714 draft_01362_00621 9874825 CC(C)(c1ccc(O[P+]([O-])(Oc2ccccc2)Oc3ccccc3)cc1)c4ccc(O[P+]([O-])(Oc5ccccc5)Oc6ccccc6)cc4 +18.102 draft_01362_00622 6786 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC +18.874 draft_01362_00623 75628 CC(C)c1ccc(O[P+]([O-])(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1 +19.014 draft_01362_00624 15797 CCCCCCCCOc1ccc(c(O)c1)C(=O)c2ccccc2 +19.562 draft_01362_00625 62485 CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2 +20.39 draft_01362_00626 4243 CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(O)=O)O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C +21.24 draft_01362_00627 4490 COC1CC(CC2CCC(C)C(O2)C(C)C(O)=O)OC3(OC(C)(CC3C)C4CCC(C)(O4)C5OC(CC5C)C6OC(O)(CO)C(C)CC6C)C1C +2.614 draft_01362_00628 1153 NC(Cc1ccc(O)cc1)C(O)=O +12.775 draft_01362_00629 2681 CCCCCCCCCCCCCCCC[N+](C)(C)C +10.759 draft_01362_00630 4277 C1CCC(CC1)NC(=O)NC2CCCCC2 +2.284 draft_01362_00631 5413 CC[N+](CC)(CC)CC +10.768 draft_01362_00632 7595 C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 +10.001 draft_01362_00633 8153 CCCCCCCCCCCC[N+](C)(C)C +13.997 draft_01362_00634 8156 CCCCCCCCCCCCCCCCCC[N+](C)(C)C +11.365 draft_01362_00635 8211 CCCCCCCCCCCCCCN(C)C +6.006 draft_01362_00636 8925 COCCOCCOCCOCCOC +5.568 draft_01362_00637 9559 CCC[N+](CCC)(CCC)CCC +4.39 draft_01362_00638 13387 CN1CCCC1=O +11.497 draft_01362_00639 14251 CCCCCCCCCCCCCC[N+](C)(C)C +18.376 draft_01362_00640 15744 CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC +8.907 draft_01362_00641 16028 CCCC[N+](CCCC)(CCCC)CCCC +13.395 draft_01362_00642 16958 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC +11.279 draft_01362_00643 17249 CCCCC[N+](CCCCC)(CCCCC)CCCCC +1.307 draft_01362_00644 18206 C[N+](C)(C)CC1CO1 +15.329 draft_01362_00645 18670 CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC +15.717 draft_01362_00646 23768 CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C +16.898 draft_01362_00647 24953 CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC +13.577 draft_01362_00648 26690 CCCCCCCCCC(=O)N(C)C +13.03 draft_01362_00649 31281 CCCCCCCCCCCCCCCC[N+](C)(C)CC +7.009 draft_01362_00650 36209 CCCC[N+](C)(CCCC)CCCC +12.371 draft_01362_00651 61907 CCCCCCCCCC[N+](C)(C)CCCCCCCC +11.669 draft_01362_00652 62582 CCCCCCCC[N+](C)(C)CCCCCCCC +8.07 draft_01362_00653 65618 C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-] +13.103 draft_01362_00654 75057 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC +14.727 draft_01362_00655 77072 CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC +13.666 draft_01362_00656 82639 CCCCCCCCC=CCCCCCCCC[N+](C)(C)C +5.221 draft_01362_00657 83681 CC(C)(C)P(C(C)(C)C)C(C)(C)C +8.074 draft_01362_00658 548198 CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O +16.186 draft_01362_00659 2734118 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC +12.596 draft_01362_00660 3033871 CCCCCCCCN1CCCC1=O +9.57 draft_01362_00661 3528502 CCCCC[N+](CCCC)(CCCC)CCCC +8.031 draft_01362_00662 6327869 C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2 +7.137 draft_01362_00663 11440922 C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +7.21 draft_01362_00664 135056365 C1=CC=C(C=C1)[P+](CCCCC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3 +8.074 draft_01362_00665 5280343 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +2.065 draft_01362_00666 187 CC(=O)OCC[N+](C)(C)C +8.323 draft_01362_00667 34312 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N diff --git a/raw_data/0416/0416_gradient.tsv b/raw_data/0416/0416_gradient.tsv new file mode 100644 index 000000000..281888d50 --- /dev/null +++ b/raw_data/0416/0416_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 99.5 0.5 +0.1 0.3 99.5 0.5 +10 0.3 20 80 +10.1 0.4 0.5 99.5 +12 0.4 0.5 99.5 diff --git a/raw_data/0416/0416_info.tsv b/raw_data/0416/0416_info.tsv new file mode 100644 index 000000000..fa45f3b32 --- /dev/null +++ b/raw_data/0416/0416_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0416 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_37 Flowrate:0.3-0.4 diff --git a/raw_data/0416/0416_metadata.tsv b/raw_data/0416/0416_metadata.tsv new file mode 100644 index 000000000..df77557cf --- /dev/null +++ b/raw_data/0416/0416_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0416 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0 % % % % diff --git a/raw_data/0416/0416_metadata.yaml b/raw_data/0416/0416_metadata.yaml new file mode 100644 index 000000000..062f816b4 --- /dev/null +++ b/raw_data/0416/0416_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0416' diff --git a/raw_data/0416/0416_rtdata.tsv b/raw_data/0416/0416_rtdata.tsv new file mode 100644 index 000000000..a291dac14 --- /dev/null +++ b/raw_data/0416/0416_rtdata.tsv @@ -0,0 +1,76 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0416_00001 4.42 15596585 CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O +0416_00002 2.05 68313 CN(C)CCC1=CC=C(O)C=C1 CN(C)CCC1=CC=C(C=C1)O +0416_00003 3.15 14311151 COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0416_00004 4.21 10743 COC1=CC(C=CC(O)=O)=CC(OC)=C1O COC1=CC(=CC(=C1O)OC)C=CC(=O)O +0416_00005 4.76 9984 COC1=CC(C=CC=O)=CC=C1O COC1=C(C=CC(=C1)C=CC=O)O +0416_00006 4.39 5353588 COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O +0416_00007 2.93 22652 COC1=CC2=C(C=C1OC)C(C)=NCC2 CC1=NCCC2=CC(=C(C=C12)OC)OC +0416_00008 6.43 425 O=C(C=CC1=CC=C(O)C=C1)C=2C=CC(O)=CC=2(O) C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O +0416_00009 2.3 994 O=C(O)C(N)CC1=CC=CC=C1 +0416_00010 3.44 2518 O=C(O)C=CC1=CC=C(O)C(O)=C1 C1=CC(=C(C=C1C=CC(=O)O)O)O +0416_00011 4.24 709 O=C(O)C=CC1=CC=C(O)C(OC)=C1 +0416_00012 4.01 322 O=C(O)C=CC1=CC=C(O)C=C1 C1=CC(=CC=C1C=CC(=O)O)O +0416_00013 6.36 73157181 O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(CO))))))C(O)C(O)C7(O) CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O +0416_00014 7.09 5087640 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(C)C(O)C(O)C6(O)))C(O)C8(O) CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O +0416_00015 6.97 15608234 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(CO)C(O)C(O)C6(O)))C(O)C8(O) CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C +0416_00016 5.15 5281708 O=C1C(=COC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O +0416_00017 7.63 5280373 O=C1C(=COC2=CC(O)=CC(O)=C12)C3=CC=C(OC)C=C3 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O +0416_00018 4.51 12442954 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C4=CC=C(OC3OC(CO)C(O)C(O)C3(O))C(O)=C4 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O +0416_00019 5.37 5280343 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(O)C=3 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +0416_00020 6.14 5281654 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(OC)C=3 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0416_00021 6.69 5280378 O=C1C=3C=CC(O)=CC=3(OC=C1C2=CC=C(OC)C=C2) COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O +0416_00022 3.55 10053626 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0416_00023 3.59 6426860 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C=4C=CC(O)=C(O)C=4 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O +0416_00024 3.95 4475102 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C=C4 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O +0416_00025 5.89 5280443 O=C1C=C(OC2=CC(O)=CC(O)=C12)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +0416_00026 2.06 193540 O=C1CNC(=O)C2CCCN12 C1CC2C(=O)NCC(=O)N2C1 +0416_00027 4.03 102892 O=C1NC(C(=O)N2CCCC12)CC(C)C CC(C)CC1C(=O)N2CCCC2C(=O)N1 +0416_00028 2.87 5280569 O=C1OC=2C(O)=C(O)C=CC=2(C=C1) C1=CC(=C(C2=C1C=CC(=O)O2)O)O +0416_00029 4.24 5280460 O=C1OC2=CC(O)=C(OC)C=C2(C=C1) COC1=C(C=C2C(=C1)C=CC(=O)O2)O +0416_00030 4.36 14524434 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC=3C=C(O)C=C(O)C2=3)C=4C=C(OC)C(O)=C(OC)C=4 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O +0416_00031 3.54 22630387 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C=5C=CC(OC4OC(CO)C(O)C(O)C4(O))=C(O)C=5 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O +0416_00032 5.35 11095 O=C2C=3C(O)=CC(O)=CC=3(OC(C=1C=CC(O)=C(O)C=1)C2) C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O +0416_00033 7.42 348130 O=C2C=3C(O)=CC(OC)=CC=3(OC(C1=CC=C(O)C=C1)C2) COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O +0416_00034 3.52 4636593 O=C2C=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=C(O)C2=3)C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0416_00035 4.13 14332446 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C(O)=C23)C4=CC=C(O)C=C4 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0416_00036 3.94 12305415 O=C3C(OC1OC(C)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O +0416_00037 3.8 13647412 O=C3C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O +0416_00038 4.15 74124649 O=C3C(OC2OC(CO)C(O)C(OC1OC(C)C(O)C(O)C1(O))C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O +0416_00039 3.86 5293655 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C(O)=C5 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +0416_00040 4.17 6223069 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC4=CC(O)=CC(O)=C34)C=5C=CC(O)=C(OC)C=5 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O +0416_00041 3.47 12309901 O=C3C=4C=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=4(OC(C2=CC=C(O)C(O)=C2)C3) C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O +0416_00042 4.52 282013 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C2=CC=C(O)C=C2)C3) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O +0416_00043 4.73 119216 O=CC=CC=1C=C(OC)C(O)=C(OC)C=1 COC1=CC(=CC(=C1O)OC)C=CC=O +0416_00044 4.12 25200809 OC(=O)CCC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)O)C(=O)O +0416_00045 3.13 1203 OC=3C=C(O)C2=C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2)C=3 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O +0416_00046 5.15 185914 OC1=CC=C(C=C1)CCC2=CC(O)=CC(O)=C2 C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O +0416_00047 4.1 53442196 OCC1OC(OC2=C(O)C(O)=C(C=C2)C(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O +0416_00048 4.45 12304737 OCC1OC(OC2=CC=C(C=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O +0416_00049 2.02 13894650 O=C(O)C(N)CCC(=O)NC(C(=O)O)CSC CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N +0416_00050 2.61 13915667 OC=2C=C(O)C=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=[O+]C=3(C=2))C4=CC(O)=C(O)C(O)=C4 C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O +0416_00051 2.77 14779569 OCC1OC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O +0416_00052 2.8 1148 O=C(O)C(N)CC2=CNC=1C=CC=CC=12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +0416_00053 2.91 4481259 OC=2C=C(O)C3=CC(OC1OC(CO)C(O)C(O)C1(O))=C([O+]=C3(C=2))C=4C=CC(O)=C(O)C=4 C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O +0416_00054 3.1 3549960 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C(O)=C5 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O +0416_00055 3.12 12302249 OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0416_00056 3.25 5351997 O=C4C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=5C=C(OC3OC(C)C(O)C(O)C3(O))C=C(O)C4=5)C6=CC=C(O)C=C6 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O +0416_00057 3.27 5385074 O=C3C(=COC1=C3(C=CC(O)=C1C2OC(CO)C(O)C(O)C2(O)))C4=CC=C(O)C=C4 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O +0416_00058 3.3 3084407 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0416_00059 3.42 3515873 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC=C2CO COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O +0416_00060 3.7 14035324 O=C3C(OC1OC(CO)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O +0416_00061 3.87 159361 OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC([O-])=C2C=C1 C1=CC(=CC=C1C2=CC=C3C(=CC(=O)C=C3O2)O)O +0416_00062 4.03 5378597 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C(O)=C4 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O +0416_00063 4.12 5949214 O=C2C(O)=C(OC=3C(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=C(O)C2=3)C4=CC=C(O)C(O)=C4 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0416_00064 4.15 14238625 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O +0416_00065 4.17 5878729 OC1COC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(O)C1O C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O +0416_00066 4.31 17198 O=C(C=1C=C(OC)C(O)=C(OC)C=1)C CC(=O)C1=CC(=C(C(=C1)OC)O)OC +0416_00067 4.65 601064 COC1OC2C(N(C)CCC3=C2C=C2OCOC2=C3)C2=C1C1=C(OCO1)C=C2 CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 +0416_00068 4.95 262500 OCC9OC(OC8C(O)C(OC(OC6CC5=CCC4C(CCC3(C)(C4(CC2N1CC(C)CCC1C(C)C23)))C5(C)CC6)C8(OC7OC(C)C(O)C(O)C7(O)))CO)C(O)C(O)C9(O) CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C +0416_00069 5.0 8417 O=C1OC2=CC(OC)=C(OC)C=C2(C=C1) COC1=C(C=C2C(=C1)C=CC(=O)O2)OC +0416_00070 5.01 4115417 OCC9OC(OC6CC5=CCC4C(CCC3(C)(C4(CC2N1CC(C)CCC1C(C)C23)))C5(C)CC6)C(OC7OC(C)C(O)C(O)C7(O))C(O)C9(OC8OC(C)C(O)C(O)C8(O)) CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C +0416_00071 5.28 13940823 O=C2C(O)=C(OC3=CC(OC1OC(C)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(O)C=C4 CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O +0416_00072 5.34 5280445 O=C1C=C(OC=2C=C(O)C=C(O)C1=2)C3=CC=C(O)C(O)=C3 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O +0416_00073 5.73 5358913 O=C2C(=COC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(OC)C=C4 COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O +0416_00074 5.95 932 OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +0416_00075 7.17 2734580 OC1=CC2=C(OC(CC2=O)C2=CC=CC=C2)C=C1 C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3 diff --git a/raw_data/0416/0416_rtdata.tsv.old b/raw_data/0416/0416_rtdata.tsv.old new file mode 100644 index 000000000..52a51ed61 --- /dev/null +++ b/raw_data/0416/0416_rtdata.tsv.old @@ -0,0 +1,76 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +4.42 draft_01362_00001 15596585 CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O +2.05 draft_01362_00002 68313 CN(C)CCC1=CC=C(O)C=C1 +3.15 draft_01362_00003 14311151 COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 +4.21 draft_01362_00004 10743 COC1=CC(C=CC(O)=O)=CC(OC)=C1O +4.76 draft_01362_00005 9984 COC1=CC(C=CC=O)=CC=C1O +4.39 draft_01362_00006 5353588 COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O +2.93 draft_01362_00007 22652 COC1=CC2=C(C=C1OC)C(C)=NCC2 +6.43 draft_01362_00008 425 O=C(C=CC1=CC=C(O)C=C1)C=2C=CC(O)=CC=2(O) +2.3 draft_01362_00009 994 O=C(O)C(N)CC1=CC=CC=C1 +3.44 draft_01362_00010 2518 O=C(O)C=CC1=CC=C(O)C(O)=C1 +4.24 draft_01362_00011 709 O=C(O)C=CC1=CC=C(O)C(OC)=C1 +4.01 draft_01362_00012 322 O=C(O)C=CC1=CC=C(O)C=C1 +6.36 draft_01362_00013 73157181 O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(CO))))))C(O)C(O)C7(O) +7.09 draft_01362_00014 5087640 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(C)C(O)C(O)C6(O)))C(O)C8(O) +6.97 draft_01362_00015 15608234 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(CO)C(O)C(O)C6(O)))C(O)C8(O) +5.15 draft_01362_00016 5281708 O=C1C(=COC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 +7.63 draft_01362_00017 5280373 O=C1C(=COC2=CC(O)=CC(O)=C12)C3=CC=C(OC)C=C3 +4.51 draft_01362_00018 12442954 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C4=CC=C(OC3OC(CO)C(O)C(O)C3(O))C(O)=C4 +5.37 draft_01362_00019 5280343 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(O)C=3 +6.14 draft_01362_00020 5281654 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(OC)C=3 +6.69 draft_01362_00021 5280378 O=C1C=3C=CC(O)=CC=3(OC=C1C2=CC=C(OC)C=C2) +3.55 draft_01362_00022 10053626 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +3.59 draft_01362_00023 6426860 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C=4C=CC(O)=C(O)C=4 +3.95 draft_01362_00024 4475102 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C=C4 +5.89 draft_01362_00025 5280443 O=C1C=C(OC2=CC(O)=CC(O)=C12)C3=CC=C(O)C=C3 +2.06 draft_01362_00026 193540 O=C1CNC(=O)C2CCCN12 +4.03 draft_01362_00027 102892 O=C1NC(C(=O)N2CCCC12)CC(C)C +2.87 draft_01362_00028 5280569 O=C1OC=2C(O)=C(O)C=CC=2(C=C1) +4.24 draft_01362_00029 5280460 O=C1OC2=CC(O)=C(OC)C=C2(C=C1) +4.36 draft_01362_00030 14524434 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC=3C=C(O)C=C(O)C2=3)C=4C=C(OC)C(O)=C(OC)C=4 +3.54 draft_01362_00031 22630387 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C=5C=CC(OC4OC(CO)C(O)C(O)C4(O))=C(O)C=5 +5.35 draft_01362_00032 11095 O=C2C=3C(O)=CC(O)=CC=3(OC(C=1C=CC(O)=C(O)C=1)C2) +7.42 draft_01362_00033 348130 O=C2C=3C(O)=CC(OC)=CC=3(OC(C1=CC=C(O)C=C1)C2) +3.52 draft_01362_00034 4636593 O=C2C=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=C(O)C2=3)C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +4.13 draft_01362_00035 14332446 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C(O)=C23)C4=CC=C(O)C=C4 +3.94 draft_01362_00036 12305415 O=C3C(OC1OC(C)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 +3.8 draft_01362_00037 13647412 O=C3C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 +4.15 draft_01362_00038 74124649 O=C3C(OC2OC(CO)C(O)C(OC1OC(C)C(O)C(O)C1(O))C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 +3.86 draft_01362_00039 5293655 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C(O)=C5 +4.17 draft_01362_00040 6223069 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC4=CC(O)=CC(O)=C34)C=5C=CC(O)=C(OC)C=5 +3.47 draft_01362_00041 12309901 O=C3C=4C=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=4(OC(C2=CC=C(O)C(O)=C2)C3) +4.52 draft_01362_00042 282013 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C2=CC=C(O)C=C2)C3) +4.73 draft_01362_00043 119216 O=CC=CC=1C=C(OC)C(O)=C(OC)C=1 +4.12 draft_01362_00044 25200809 OC(=O)CCC(N=C(O)CC1=CNC2=CC=CC=C12)C(O)=O +3.13 draft_01362_00045 1203 OC=3C=C(O)C2=C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2)C=3 +5.15 draft_01362_00046 185914 OC1=CC=C(C=C1)CCC2=CC(O)=CC(O)=C2 +4.1 draft_01362_00047 53442196 OCC1OC(OC2=C(O)C(O)=C(C=C2)C(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O +4.45 draft_01362_00048 12304737 OCC1OC(OC2=CC=C(C=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O +2.02 draft_01362_00049 13894650 O=C(O)C(N)CCC(=O)NC(C(=O)O)CSC +2.61 draft_01362_00050 13915667 OC=2C=C(O)C=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=[O+]C=3(C=2))C4=CC(O)=C(O)C(O)=C4 +2.77 draft_01362_00051 14779569 OCC1OC(OC2C(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O +2.8 draft_01362_00052 1148 O=C(O)C(N)CC2=CNC=1C=CC=CC=12 +2.91 draft_01362_00053 4481259 OC=2C=C(O)C3=CC(OC1OC(CO)C(O)C(O)C1(O))=C([O+]=C3(C=2))C=4C=CC(O)=C(O)C=4 +3.1 draft_01362_00054 3549960 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C(O)=C5 +3.12 draft_01362_00055 12302249 OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O +3.25 draft_01362_00056 5351997 O=C4C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=5C=C(OC3OC(C)C(O)C(O)C3(O))C=C(O)C4=5)C6=CC=C(O)C=C6 +3.27 draft_01362_00057 5385074 O=C3C(=COC1=C3(C=CC(O)=C1C2OC(CO)C(O)C(O)C2(O)))C4=CC=C(O)C=C4 +3.3 draft_01362_00058 3084407 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +3.42 draft_01362_00059 3515873 COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC=C2CO +3.7 draft_01362_00060 14035324 O=C3C(OC1OC(CO)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 +3.87 draft_01362_00061 159361 OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC([O-])=C2C=C1 +4.03 draft_01362_00062 5378597 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C4=CC=C(O)C(O)=C4 +4.12 draft_01362_00063 5949214 O=C2C(O)=C(OC=3C(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=C(O)C2=3)C4=CC=C(O)C(O)=C4 +4.15 draft_01362_00064 14238625 CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O +4.17 draft_01362_00065 5878729 OC1COC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(O)C1O +4.31 draft_01362_00066 17198 O=C(C=1C=C(OC)C(O)=C(OC)C=1)C +4.65 draft_01362_00067 601064 COC1OC2C(N(C)CCC3=C2C=C2OCOC2=C3)C2=C1C1=C(OCO1)C=C2 +4.95 draft_01362_00068 262500 OCC9OC(OC8C(O)C(OC(OC6CC5=CCC4C(CCC3(C)(C4(CC2N1CC(C)CCC1C(C)C23)))C5(C)CC6)C8(OC7OC(C)C(O)C(O)C7(O)))CO)C(O)C(O)C9(O) +5 draft_01362_00069 8417 O=C1OC2=CC(OC)=C(OC)C=C2(C=C1) +5.01 draft_01362_00070 4115417 OCC9OC(OC6CC5=CCC4C(CCC3(C)(C4(CC2N1CC(C)CCC1C(C)C23)))C5(C)CC6)C(OC7OC(C)C(O)C(O)C7(O))C(O)C9(OC8OC(C)C(O)C(O)C8(O)) +5.28 draft_01362_00071 13940823 O=C2C(O)=C(OC3=CC(OC1OC(C)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(O)C=C4 +5.34 draft_01362_00072 5280445 O=C1C=C(OC=2C=C(O)C=C(O)C1=2)C3=CC=C(O)C(O)=C3 +5.73 draft_01362_00073 5358913 O=C2C(=COC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(OC)C=C4 +5.95 draft_01362_00074 932 OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O +7.17 draft_01362_00075 2734580 OC1=CC2=C(OC(CC2=O)C2=CC=CC=C2)C=C1 diff --git a/raw_data/0417/0417_gradient.tsv b/raw_data/0417/0417_gradient.tsv new file mode 100644 index 000000000..281888d50 --- /dev/null +++ b/raw_data/0417/0417_gradient.tsv @@ -0,0 +1,6 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 99.5 0.5 +0.1 0.3 99.5 0.5 +10 0.3 20 80 +10.1 0.4 0.5 99.5 +12 0.4 0.5 99.5 diff --git a/raw_data/0417/0417_info.tsv b/raw_data/0417/0417_info.tsv new file mode 100644 index 000000000..6818040ec --- /dev/null +++ b/raw_data/0417/0417_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0417 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_45 flowrate:0.3-0.4 diff --git a/raw_data/0417/0417_metadata.tsv b/raw_data/0417/0417_metadata.tsv new file mode 100644 index 000000000..6bfb87eee --- /dev/null +++ b/raw_data/0417/0417_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0417 Waters ACQUITY UPLC BEH C18 L1 100.0 2.1 1.7 40.0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0 % % % % diff --git a/raw_data/0417/0417_metadata.yaml b/raw_data/0417/0417_metadata.yaml new file mode 100644 index 000000000..653508c8f --- /dev/null +++ b/raw_data/0417/0417_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Waters ACQUITY UPLC BEH C18 + id: 2.1 + temperature: 40 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0417' diff --git a/raw_data/0417/0417_rtdata.tsv b/raw_data/0417/0417_rtdata.tsv new file mode 100644 index 000000000..5be0f9cb6 --- /dev/null +++ b/raw_data/0417/0417_rtdata.tsv @@ -0,0 +1,91 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0417_00001 4.53 3398622 CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 +0417_00002 9.75 3694932 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(O)=O CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C +0417_00003 3.2 14311151 COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0417_00004 4.41 5353588 COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O +0417_00005 6.43 425 O=C(C=CC1=CC=C(O)C=C1)C=2C=CC(O)=CC=2(O) C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O +0417_00006 2.32 994 O=C(O)C(N)CC1=CC=CC=C1 C1=CC=C(C=C1)CC(C(=O)O)N +0417_00007 3.44 2518 O=C(O)C=CC1=CC=C(O)C(O)=C1 C1=CC(=C(C=C1C=CC(=O)O)O)O +0417_00008 4.01 322 O=C(O)C=CC1=CC=C(O)C=C1 +0417_00009 6.34 73157181 O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(CO))))))C(O)C(O)C7(O) CC12CCC(CC1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)(C)C(=O)O +0417_00010 7.12 5087640 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(C)C(O)C(O)C6(O)))C(O)C8(O) CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O +0417_00011 6.95 15608234 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(CO)C(O)C(O)C6(O)))C(O)C8(O) CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C +0417_00012 5.16 5281708 O=C1C(=COC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O +0417_00013 4.48 12442954 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C4=CC=C(OC3OC(CO)C(O)C(O)C3(O))C(O)=C4 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O +0417_00014 5.37 5280343 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(O)C=3 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +0417_00015 6.14 5281654 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(OC)C=3 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0417_00016 6.67 5280378 O=C1C=3C=CC(O)=CC=3(OC=C1C2=CC=C(OC)C=C2) COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O +0417_00017 3.4 10053626 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +0417_00018 3.59 6426860 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C=4C=CC(O)=C(O)C=4 +0417_00019 3.95 4475102 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C=C4 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O +0417_00020 5.89 5280443 O=C1C=C(OC2=CC(O)=CC(O)=C12)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +0417_00021 3.64 5280569 O=C1OC=2C(O)=C(O)C=CC=2(C=C1) C1=CC(=C(C2=C1C=CC(=O)O2)O)O +0417_00022 4.23 5280460 O=C1OC2=CC(O)=C(OC)C=C2(C=C1) COC1=C(C=C2C(=C1)C=CC(=O)O2)O +0417_00023 4.33 14524434 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC=3C=C(O)C=C(O)C2=3)C=4C=C(OC)C(O)=C(OC)C=4 COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O +0417_00024 3.51 22630387 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C=5C=CC(OC4OC(CO)C(O)C(O)C4(O))=C(O)C=5 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O +0417_00025 5.34 11095 O=C2C=3C(O)=CC(O)=CC=3(OC(C=1C=CC(O)=C(O)C=1)C2) C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O +0417_00026 7.42 348130 O=C2C=3C(O)=CC(OC)=CC=3(OC(C1=CC=C(O)C=C1)C2) COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O +0417_00027 3.53 4636593 O=C2C=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=C(O)C2=3)C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0417_00028 4.07 14332446 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C(O)=C23)C4=CC=C(O)C=C4 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0417_00029 3.95 12305415 O=C3C(OC1OC(C)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 +0417_00030 3.79 13647412 O=C3C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 +0417_00031 4.15 74124649 O=C3C(OC2OC(CO)C(O)C(OC1OC(C)C(O)C(O)C1(O))C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O +0417_00032 3.86 5293655 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C(O)=C5 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +0417_00033 4.2 6223069 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC4=CC(O)=CC(O)=C34)C=5C=CC(O)=C(OC)C=5 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O +0417_00034 3.48 12309901 O=C3C=4C=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=4(OC(C2=CC=C(O)C(O)=C2)C3) C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O +0417_00035 4.52 282013 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C2=CC=C(O)C=C2)C3) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O +0417_00036 4.72 119216 O=CC=CC=1C=C(OC)C(O)=C(OC)C=1 COC1=CC(=CC(=C1O)OC)C=CC=O +0417_00037 4.41 11496 OC(=O)C=CC1=CC=CC(O)=C1 C1=CC(=CC(=C1)O)C=CC(=O)O +0417_00038 2.04 370 OC(=O)C1=CC(O)=C(O)C(O)=C1 C1=C(C=C(C(=C1O)O)O)C(=O)O +0417_00039 3.11 1203 OC=3C=C(O)C2=C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2)C=3 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O +0417_00040 5.15 185914 OC1=CC=C(C=C1)CCC2=CC(O)=CC(O)=C2 +0417_00041 4.52 440733 OC1=CC=C(C=CC=O)C=C1 +0417_00042 3.18 361171 OCC=CC1=CC=C(O)C(O)=C1 +0417_00043 4.08 53442196 OCC1OC(OC2=C(O)C(O)=C(C=C2)C(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O +0417_00044 4.47 12304737 OCC1OC(OC2=CC=C(C=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O +0417_00045 2.8 1148 O=C(O)C(N)CC2=CNC1=CC=CC=C12 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N +0417_00046 2.85 4481259 OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O +0417_00047 2.87 5351506 O=C2OC3=CC(O)=C(OC1OC(CO)C(O)C(O)C1(O))C=C3(C=C2) C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O +0417_00048 2.87 5281416 O=C1OC=2C=C(O)C(O)=CC=2(C=C1) C1=CC(=O)OC2=CC(=C(C=C21)O)O +0417_00049 3.08 3549960 O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C(O)=C5 C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O +0417_00050 3.23 5901757 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O +0417_00051 3.27 5385074 OCC1OC(C(O)C(O)C1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1 +0417_00052 3.3 3084407 O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0417_00053 3.42 3515873 O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C3C(=CCC23)CO +0417_00054 3.46 13751990 OC9=CC(O)=C2C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2C=8C(O)=CC(O)=C7C=8(OC(C=3C=CC(O)=C(O)C=3)C(O)C7(C6=C(O)C=C(O)C5=C6(OC(C=4C=CC(O)=C(O)C=4)C(O)C5))))=C9 C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O +0417_00055 3.55 10053626 OCC1OC(C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OC(CO)C(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1 C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O +0417_00056 3.61 226371 COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC +0417_00057 3.67 14035324 CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O +0417_00058 3.7 13887800 OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +0417_00059 3.7 5382105 O=C1C=C(OC2=C1C(O)=CC(O)=C2C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C(O)=C4 C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O +0417_00060 4.04 393787 OC1=CC=C(C=C1)C=CC3=CC(O)=CC(OC2OC(CO)C(O)C(O)C2(O))=C3 C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O +0417_00061 4.08 13254471 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C=2C=CC(O)=C(O)C=2)C3) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O +0417_00062 4.09 3794292 O=C3C=4C=CC(O)=CC=4(OC(C2=CC=C(OC1OC(CO)C(O)C(O)C1(O))C=C2)C3) C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O +0417_00063 4.1 5883291 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=CC=C5(O) CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=CC=C5O)O)O)O)O)O)O +0417_00064 4.2 5385553 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(O)C=C4 +0417_00065 4.23 15596585 O=C(OCC4OC(OC=2C(=O)C3=C(O)C=C(O)C=C3(OC=2(C=1C=CC(O)=C(O)C=1)))C(O)C(O)C4(O))C CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O +0417_00066 4.23 709 O=C(O)C=CC=1C=CC(O)=C(OC)C=1 +0417_00067 4.38 14311149 COC1=CC(=CC(O)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(O)=CC(O)=C2 +0417_00068 4.45 5385553 OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O +0417_00069 4.48 3753277 COC(=O)C1=COC(C)C2CN3CCC4(C3CC12)C(=O)NC1=C4C=CC(OC)=C1OC CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O +0417_00070 4.61 205954 O=C(OC2CC(OC(=O)C=CC1=CC=C(O)C(O)=C1)(C(=O)O)CC(O)C2(O))C=CC3=CC=C(O)C(O)=C3 C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O +0417_00071 4.65 5949214 OCC1OC(OC2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O +0417_00072 4.73 4789 OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)C(O)C(O)C1O C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O +0417_00073 4.92 3213 CC1=C2C=CN=CC2=C(C)C2=C1NC1=C2C=CC=C1 CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C +0417_00074 4.96 262500 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C +0417_00075 4.96 134203 COC1=CC(CC2COC(C2CO)C2=CC(OC)=C(O)C=C2)=CC=C1O COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O +0417_00076 5.01 4115417 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C +0417_00077 5.03 3733033 O=C2C(=COC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC=C23)C4=CC=C(OC)C=C4 +0417_00078 5.2 5480901 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O +0417_00079 5.27 13940823 CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O +0417_00080 5.27 15559329 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C=C2O CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O +0417_00081 5.96 932 O=C2C=3C(O)=CC(O)=CC=3(OC(C1=CC=C(O)C=C1)C2) C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +0417_00082 6.02 5280863 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0417_00083 6.17 3593 COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2O COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O +0417_00084 7.38 5282073 O=C1C=C(OC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O +0417_00085 7.55 5281666 COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +0417_00086 7.61 5280373 COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O +0417_00087 3.7 5350 CS(=O)CCCCN=C=S +0417_00088 3.64 12311099 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O +0417_00089 4.03 90657624 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-] +0417_00090 4.45 15596585 CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O diff --git a/raw_data/0417/0417_rtdata.tsv.old b/raw_data/0417/0417_rtdata.tsv.old new file mode 100644 index 000000000..20e2b61fa --- /dev/null +++ b/raw_data/0417/0417_rtdata.tsv.old @@ -0,0 +1,91 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +4.53 draft_01362_00001 3398622 CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O +9.75 draft_01362_00002 3694932 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(O)=O +3.2 draft_01362_00003 14311151 COC1=CC(=CC=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 +4.41 draft_01362_00004 5353588 COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O +6.43 draft_01362_00005 425 O=C(C=CC1=CC=C(O)C=C1)C=2C=CC(O)=CC=2(O) +2.32 draft_01362_00006 994 O=C(O)C(N)CC1=CC=CC=C1 +3.44 draft_01362_00007 2518 O=C(O)C=CC1=CC=C(O)C(O)=C1 +4.01 draft_01362_00008 322 O=C(O)C=CC1=CC=C(O)C=C1 +6.34 draft_01362_00009 73157181 O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(CO))))))C(O)C(O)C7(O) +7.12 draft_01362_00010 5087640 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(C)C(O)C(O)C6(O)))C(O)C8(O) +6.95 draft_01362_00011 15608234 O=C(O)C8OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CC(O)C5(C)(CCC1(C)C4(C)(CCC3(C2(C)(CO))))))C(OC7OC(CO)C(O)C(O)C7(OC6OC(CO)C(O)C(O)C6(O)))C(O)C8(O) +5.16 draft_01362_00012 5281708 O=C1C(=COC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 +4.48 draft_01362_00013 12442954 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C4=CC=C(OC3OC(CO)C(O)C(O)C3(O))C(O)=C4 +5.37 draft_01362_00014 5280343 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(O)C=3 +6.14 draft_01362_00015 5281654 O=C1C(O)=C(OC2=CC(O)=CC(O)=C12)C=3C=CC(O)=C(OC)C=3 +6.67 draft_01362_00016 5280378 O=C1C=3C=CC(O)=CC=3(OC=C1C2=CC=C(OC)C=C2) +3.4 draft_01362_00017 10053626 O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OC(CO)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +3.59 draft_01362_00018 6426860 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C=4C=CC(O)=C(O)C=4 +3.95 draft_01362_00019 4475102 O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C=C4 +5.89 draft_01362_00020 5280443 O=C1C=C(OC2=CC(O)=CC(O)=C12)C3=CC=C(O)C=C3 +3.64 draft_01362_00021 5280569 O=C1OC=2C(O)=C(O)C=CC=2(C=C1) +4.23 draft_01362_00022 5280460 O=C1OC2=CC(O)=C(OC)C=C2(C=C1) +4.33 draft_01362_00023 14524434 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC=3C=C(O)C=C(O)C2=3)C=4C=C(OC)C(O)=C(OC)C=4 +3.51 draft_01362_00024 22630387 O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C=5C=CC(OC4OC(CO)C(O)C(O)C4(O))=C(O)C=5 +5.34 draft_01362_00025 11095 O=C2C=3C(O)=CC(O)=CC=3(OC(C=1C=CC(O)=C(O)C=1)C2) +7.42 draft_01362_00026 348130 O=C2C=3C(O)=CC(OC)=CC=3(OC(C1=CC=C(O)C=C1)C2) +3.53 draft_01362_00027 4636593 O=C2C=C(OC=3C=C(OC1OC(CO)C(O)C(O)C1(O))C(=C(O)C2=3)C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +4.07 draft_01362_00028 14332446 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C(O)=C23)C4=CC=C(O)C=C4 +3.95 draft_01362_00029 12305415 O=C3C(OC1OC(C)C(O)C(O)C1(O))=C(OC4=CC(OC2OC(C)C(O)C(O)C2(O))=CC(O)=C34)C5=CC=C(O)C=C5 +3.79 draft_01362_00030 13647412 O=C3C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 +4.15 draft_01362_00031 74124649 O=C3C(OC2OC(CO)C(O)C(OC1OC(C)C(O)C(O)C1(O))C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C=C5 +3.86 draft_01362_00032 5293655 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=C(O)C(O)=C5 +4.2 draft_01362_00033 6223069 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC4=CC(O)=CC(O)=C34)C=5C=CC(O)=C(OC)C=5 +3.48 draft_01362_00034 12309901 O=C3C=4C=CC(OC1OC(CO)C(O)C(O)C1(O))=C(O)C=4(OC(C2=CC=C(O)C(O)=C2)C3) +4.52 draft_01362_00035 282013 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C2=CC=C(O)C=C2)C3) +4.72 draft_01362_00036 119216 O=CC=CC=1C=C(OC)C(O)=C(OC)C=1 +4.41 draft_01362_00037 11496 OC(=O)C=CC1=CC=CC(O)=C1 +2.04 draft_01362_00038 370 OC(=O)C1=CC(O)=C(O)C(O)=C1 +3.11 draft_01362_00039 1203 OC=3C=C(O)C2=C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2)C=3 +5.15 draft_01362_00040 185914 OC1=CC=C(C=C1)CCC2=CC(O)=CC(O)=C2 +4.52 draft_01362_00041 440733 OC1=CC=C(C=CC=O)C=C1 +3.18 draft_01362_00042 361171 OCC=CC1=CC=C(O)C(O)=C1 +4.08 draft_01362_00043 53442196 OCC1OC(OC2=C(O)C(O)=C(C=C2)C(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O +4.47 draft_01362_00044 12304737 OCC1OC(OC2=CC=C(C=C2O)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O +2.8 draft_01362_00045 1148 O=C(O)C(N)CC2=CNC1=CC=CC=C12 +2.85 draft_01362_00046 4481259 OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O +2.87 draft_01362_00047 5351506 O=C2OC3=CC(O)=C(OC1OC(CO)C(O)C(O)C1(O))C=C3(C=C2) +2.87 draft_01362_00048 5281416 O=C1OC=2C=C(O)C(O)=CC=2(C=C1) +3.08 draft_01362_00049 3549960 O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C(O)=C5 +3.23 draft_01362_00050 5901757 COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 +3.27 draft_01362_00051 5385074 OCC1OC(C(O)C(O)C1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1 +3.3 draft_01362_00052 3084407 O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C5=CC=C(O)C=C5 +3.42 draft_01362_00053 3515873 O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C3C(=CCC23)CO +3.46 draft_01362_00054 13751990 OC9=CC(O)=C2C(OC(C=1C=CC(O)=C(O)C=1)C(O)C2C=8C(O)=CC(O)=C7C=8(OC(C=3C=CC(O)=C(O)C=3)C(O)C7(C6=C(O)C=C(O)C5=C6(OC(C=4C=CC(O)=C(O)C=4)C(O)C5))))=C9 +3.55 draft_01362_00055 10053626 OCC1OC(C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OC(CO)C(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1 +3.61 draft_01362_00056 226371 COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 +3.67 draft_01362_00057 14035324 CC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O +3.7 draft_01362_00058 13887800 OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O +3.7 draft_01362_00059 5382105 O=C1C=C(OC2=C1C(O)=CC(O)=C2C3OC(CO)C(O)C(O)C3(O))C4=CC=C(O)C(O)=C4 +4.04 draft_01362_00060 393787 OC1=CC=C(C=C1)C=CC3=CC(O)=CC(OC2OC(CO)C(O)C(O)C2(O))=C3 +4.08 draft_01362_00061 13254471 O=C3C4=C(O)C=C(OC1OC(CO)C(O)C(O)C1(O))C=C4(OC(C=2C=CC(O)=C(O)C=2)C3) +4.09 draft_01362_00062 3794292 O=C3C=4C=CC(O)=CC=4(OC(C2=CC=C(OC1OC(CO)C(O)C(O)C1(O))C=C2)C3) +4.1 draft_01362_00063 5883291 O=C3C(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))=C(OC=4C=C(O)C=C(O)C3=4)C5=CC=CC=C5(O) +4.2 draft_01362_00064 5385553 O=C2C=C(OC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC(O)=C23)C4=CC=C(O)C=C4 +4.23 draft_01362_00065 15596585 O=C(OCC4OC(OC=2C(=O)C3=C(O)C=C(O)C=C3(OC=2(C=1C=CC(O)=C(O)C=1)))C(O)C(O)C4(O))C +4.23 draft_01362_00066 709 O=C(O)C=CC=1C=CC(O)=C(OC)C=1 +4.38 draft_01362_00067 14311149 COC1=CC(=CC(O)=C1O)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(O)=CC(O)=C2 +4.45 draft_01362_00068 5385553 OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O +4.48 draft_01362_00069 3753277 COC(=O)C1=COC(C)C2CN3CCC4(C3CC12)C(=O)NC1=C4C=CC(OC)=C1OC +4.61 draft_01362_00070 205954 O=C(OC2CC(OC(=O)C=CC1=CC=C(O)C(O)=C1)(C(=O)O)CC(O)C2(O))C=CC3=CC=C(O)C(O)=C3 +4.65 draft_01362_00071 5949214 OCC1OC(OC2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O +4.73 draft_01362_00072 4789 OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)C(O)C(O)C1O +4.92 draft_01362_00073 3213 CC1=C2C=CN=CC2=C(C)C2=C1NC1=C2C=CC=C1 +4.96 draft_01362_00074 262500 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O +4.96 draft_01362_00075 134203 COC1=CC(CC2COC(C2CO)C2=CC(OC)=C(O)C=C2)=CC=C1O +5.01 draft_01362_00076 4115417 CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O +5.03 draft_01362_00077 3733033 O=C2C(=COC3=CC(OC1OC(CO)C(O)C(O)C1(O))=CC=C23)C4=CC=C(OC)C=C4 +5.2 draft_01362_00078 5480901 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O +5.27 draft_01362_00079 13940823 CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O +5.27 draft_01362_00080 15559329 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C=C2O +5.96 draft_01362_00081 932 O=C2C=3C(O)=CC(O)=CC=3(OC(C1=CC=C(O)C=C1)C2) +6.02 draft_01362_00082 5280863 O=C1C(O)=C(OC=2C=C(O)C=C(O)C1=2)C3=CC=C(O)C=C3 +6.17 draft_01362_00083 3593 COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2O +7.38 draft_01362_00084 5282073 O=C1C=C(OC=2C=C(O)C=CC1=2)C3=CC=C(O)C=C3 +7.55 draft_01362_00085 5281666 COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 +7.61 draft_01362_00086 5280373 COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O +3.7 draft_01362_00087 5350 CS(=O)CCCCN=C=S +3.64 draft_01362_00088 12311099 C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O +4.03 draft_01362_00089 90657624 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-] +4.45 draft_01362_00090 15596585 CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O diff --git a/raw_data/0418/0418_gradient.tsv b/raw_data/0418/0418_gradient.tsv new file mode 100644 index 000000000..2753b5172 --- /dev/null +++ b/raw_data/0418/0418_gradient.tsv @@ -0,0 +1,9 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.4 70 30 +2 0.4 70 30 +5 0.4 48 52 +15 0.4 35 65 +20 0.4 22 78 +22.5 0.4 22 78 +29 0.4 10 90 +38 0.4 0 100 diff --git a/raw_data/0418/0418_info.tsv b/raw_data/0418/0418_info.tsv new file mode 100644 index 000000000..4e0f4e45d --- /dev/null +++ b/raw_data/0418/0418_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0418 10.1016/j.aca.2019.02.001 Submitted by Fangyuan Sun Yezhen Huang, Yu Jiao, Yiqiao Gao, et al ROASMI_41 diff --git a/raw_data/0418/0418_metadata.tsv b/raw_data/0418/0418_metadata.tsv new file mode 100644 index 000000000..8ae7c95cc --- /dev/null +++ b/raw_data/0418/0418_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0418 Agilent ZORBAX Eclipse XDB-C18 L1 100.0 2.1 1.8 50.0 0.4 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70.0 30.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0418/0418_metadata.yaml b/raw_data/0418/0418_metadata.yaml new file mode 100644 index 000000000..1d4d54e44 --- /dev/null +++ b/raw_data/0418/0418_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Agilent ZORBAX Eclipse XDB-C18 + id: 2.1 + temperature: 50 + flowrate: 0.4 + usp.code: L1 + length: 100 + particle.size: '1.8' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0418' diff --git a/raw_data/0418/0418_rtdata.tsv b/raw_data/0418/0418_rtdata.tsv new file mode 100644 index 000000000..94a3cd0b1 --- /dev/null +++ b/raw_data/0418/0418_rtdata.tsv @@ -0,0 +1,79 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0418_00001 2.35 C1=C(NC=N1)C[C@@H](C(=O)O)N +0418_00002 3.02 C(C[C@@H](C(=O)O)N)CN=C(N)N +0418_00003 3.75 C([C@@H](C(=O)O)N)C(=O)N +0418_00004 4.45 C(CC(=O)N)[C@@H](C(=O)O)N +0418_00005 5.14 C([C@@H](C(=O)O)N)O +0418_00006 5.85 C(C(=O)O)N +0418_00007 5.87 C(CO)N +0418_00008 6.29 C[C@H]([C@@H](C(=O)O)N)O +0418_00009 6.31 C([C@@H](C(=O)O)N)S +0418_00010 6.5 C(CCNCCCN)CNCCCN +0418_00011 6.78 C[C@@H](C(=O)O)N +0418_00012 7.25 C(CC(=O)C(=O)O)CC(=O)O +0418_00013 8.11 CC(=O)O +0418_00014 8.32 C1=CC(=C(N=C1)C(=O)O)C(=O)O +0418_00015 8.37 C1C[C@H](NC1)C(=O)O +0418_00016 9.06 CSCC[C@@H](C(=O)O)N +0418_00017 9.21 C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N +0418_00018 9.34 CC(C)[C@@H](C(=O)O)N +0418_00019 9.67 CCC(=O)O +0418_00020 9.8 C(CCNCCCN)CN +0418_00021 9.89 C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O +0418_00022 9.89 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +0418_00023 11.37 CC(C)C(=O)O +0418_00024 11.45 CC[C@H](C)[C@@H](C(=O)O)N +0418_00025 11.69 CC(C)C[C@@H](C(=O)O)N +0418_00026 11.76 CCCC(=O)O +0418_00027 11.78 C1=CC=C(C=C1)CC(C(=O)O)N +0418_00028 11.91 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O +0418_00029 12.08 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O +0418_00030 12.1 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O +0418_00031 12.1 COC1=CC2=C(C=C1)NC=C2CC(=O)O +0418_00032 12.17 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O +0418_00033 13.37 C1=CC=C2C(=C1)C(=CN2)CC(=O)O +0418_00034 13.44 C1=CC=C2C(=C1)C(=CN2)CCN +0418_00035 13.64 CCC(C)C(=O)O +0418_00036 14.0 CC(C)CC(=O)O +0418_00037 14.53 CCCCC(=O)O +0418_00038 15.51 C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O +0418_00039 15.68 C1=CC(=C(C(=C1)O)N)C(=O)O +0418_00040 16.21 C(CCN)C[C@@H](C(=O)O)N +0418_00041 16.69 CCC(C)CC(=O)O +0418_00042 17.11 CC(C)CCC(=O)O +0418_00043 17.43 C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O +0418_00044 17.44 CCCCCC(=O)O +0418_00045 17.65 C(CCN)CN +0418_00046 18.86 CCCCC(C)C(=O)O +0418_00047 19.66 CCCCCCC(=O)O +0418_00048 20.17 CCCCC(CC)C(=O)O +0418_00049 20.46 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0418_00050 20.65 CCCCCC(C)C(=O)O +0418_00051 20.97 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N +0418_00052 21.35 CCCCCCCC(=O)O +0418_00053 22.53 CCCCC(C)CCC(=O)O +0418_00054 23.01 CCCCCCCCC(=O)O +0418_00055 24.18 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C +0418_00056 24.34 CCCCCCCCCC(=O)O +0418_00057 24.95 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +0418_00058 25.2 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C +0418_00059 25.64 CCCCCCCCCCCC(=O)O +0418_00060 26.19 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C +0418_00061 26.42 CCCCCCCCCCCCC(=O)O +0418_00062 27.31 CCCCCCCCCCCCCC(=O)O +0418_00063 27.5 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O +0418_00064 27.51 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O +0418_00065 27.89 CCCCCC/C=C\CCCCCCCC(=O)O +0418_00066 28.41 CCCCCCCCCCCCCCC(=O)O +0418_00067 28.49 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O +0418_00068 28.71 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O +0418_00069 28.76 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O +0418_00070 29.81 CCCCCCCCCCCCCCCC(=O)O +0418_00071 30.51 CCCCCCCC/C=C\CCCCCCCC(=O)O +0418_00072 31.53 CCCCCCCCCCCCCCCCCC(=O)O +0418_00073 31.76 CCCCCCCC/C=C\CCCCCCCCCC(=O)O +0418_00074 32.11 CCCCCCCCCCCCCCCCCCC(=O)O +0418_00075 32.93 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O +0418_00076 33.36 CCCCCCCCCCCCCCCCCCCCC(=O)O +0418_00077 34.03 CCCCCCCCCCCCCCCCCCCCCC(=O)O +0418_00078 34.22 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O diff --git a/raw_data/0419/0419_gradient.tsv b/raw_data/0419/0419_gradient.tsv new file mode 100644 index 000000000..b8ea55126 --- /dev/null +++ b/raw_data/0419/0419_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.5 95 5 +7 0.5 0 100 +8 0.5 0 100 diff --git a/raw_data/0419/0419_info.tsv b/raw_data/0419/0419_info.tsv new file mode 100644 index 000000000..8aa81eec6 --- /dev/null +++ b/raw_data/0419/0419_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0419 10.1038/s41597-019-0305-1 Submitted by Fangyuan Sun Olivier-Jimenez, D., Chollet-Krugler, M., Rondeau, D. et al. ROASMI_59 column temperature diff --git a/raw_data/0419/0419_metadata.tsv b/raw_data/0419/0419_metadata.tsv new file mode 100644 index 000000000..9a12c6a54 --- /dev/null +++ b/raw_data/0419/0419_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0419 Waters SunFire C18 L1 50.0 4.6 3.5 0.5 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0419/0419_metadata.yaml b/raw_data/0419/0419_metadata.yaml new file mode 100644 index 000000000..26d495c08 --- /dev/null +++ b/raw_data/0419/0419_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Waters SunFire C18 + id: 4.6 + flowrate: 0.5 + usp.code: L1 + length: 50 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0419' diff --git a/raw_data/0419/0419_rtdata.tsv b/raw_data/0419/0419_rtdata.tsv new file mode 100644 index 000000000..e9851a175 --- /dev/null +++ b/raw_data/0419/0419_rtdata.tsv @@ -0,0 +1,162 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0419_00001 0.28 6251 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +0419_00002 0.28 441439 OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO +0419_00003 0.4 442866 COC1=C(C[C@@](O)(CO)CC1=O)NC(CO)CO +0419_00004 0.46 138756215 O=C1C(OC)=C(NC(CO)CCC(O)=N)CC(C1)(O)CO COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)N)CO +0419_00005 0.46 723 OC(=O)C=CC(O)=O C(=CC(=O)O)C(=O)O +0419_00006 0.53 9882880 O=C1C(OC)=C(NC(CO)CCC(=O)O)CC(C1)(O)CO COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)O)CO +0419_00007 2.35 12310988 O=C(O)C1=C(OC)C=C(O)C=C1C CC1=CC(=CC(=C1C(=O)O)OC)O +0419_00008 3.25 68103 OC1=C(C(O)=CC(=C1)C)C CC1=CC(=C(C(=C1)O)C)O +0419_00009 3.41 68072 Cc1cc(O)cc(O)c1C(O)=O CC1=CC(=CC(=C1C(=O)O)O)O +0419_00010 3.77 68073 CC(=O)c1c(O)cc(O)cc1O CC(=O)C1=C(C=C(C=C1O)O)O +0419_00011 3.87 53483342 O=C1C(=O)C=C(O)C2=C1C=C3OC(C)=CC(C3=C2O)=O CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=O)C3=O)O +0419_00012 3.95 238793 O=C1OCC=2C1=C(O)C=C3OC=4C(C23)=C(O)C=C(C)C4C(=O)O CC1=CC(=C2C3=C(C=C(C4=C3COC4=O)O)OC2=C1C(=O)O)O +0419_00013 3.97 3083600 OC1=CC(O)=CC(=C1)CCC CCCC1=CC(=CC(=C1)O)O +0419_00014 3.99 736228 O=C(O)C1=C(O)C(=C(O)C=C1C)C CC1=CC(=C(C(=C1C(=O)O)O)C)O +0419_00015 4.0 138756172 CC1=CC(C2=C(C=C(C(C)=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)OC(C)=O)O1)=O +0419_00016 4.01 12313948 O=C(O)C1=C(O)C=C2OC=3C(C2=C1C)=C(O)C=C(C)C3C(=O)O CC1=CC(=C2C3=C(C=C(C(=C3C)C(=O)O)O)OC2=C1C(=O)O)O +0419_00017 4.03 138756198 O=C1C(=O)C=C(OC)C2=C1C=C3OC(C)=CC(C3=C2OC)=O CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C(=CC(=O)C3=O)OC +0419_00018 4.05 222285 OC[C@H](O)[C@H](O)CO +0419_00019 4.06 138756201 O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2CO)O)OC4=C1C(=CC(=C4C=O)OC)C +0419_00020 4.15 20834 O=C(O)C1=C(O)C=C(O)C=C1CCC CCCC1=C(C(=CC(=C1)O)O)C(=O)O +0419_00021 4.2 138756207 O=C1C2=C(OC(=C1)C)C(=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)COC(=O)C)C(=C2O)C)C +0419_00022 4.23 132520046 O=C1O[C@H](C(O)C=2C1=C(O)C3=C(C(=O)C(OC)=CC3=O)C2O)C +0419_00023 4.27 135403806 O=C1C(O)=C(OC)C(=O)C=2C1=C(O)C=3C(O)=C(C(=O)C)OC3C2 CC(=O)C1=C(C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)O)O +0419_00024 4.33 458186 O=CC1=C(O)C=C(C)C=C1O CC1=CC(=C(C(=C1)O)C=O)O +0419_00025 4.41 101064754 O=C1O[C@H](CC=2C1=C(O)C3=C(C(=O)C(OC)=CC3=O)C2O)C +0419_00026 4.5 138756199 O=C1C(OC)=C(O)C(=O)C2=C1C(O)=C3OC(C(=O)C)=C(C3=C2O)O CC(=O)C1=C(C2=C(O1)C(=O)C3=C(C2=O)C(=C(C(=C3O)OC)O)O)O +0419_00027 4.51 5565648 O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2CO)O)OC4=C1C(=CC(=C4C=O)O)C +0419_00028 4.51 102315686 O=C1C2=C(OC(=C1)C)C(=C(OC)C=C2OC)C CC1=CC(=O)C2=C(C=C(C(=C2O1)C)OC)OC +0419_00029 4.52 12308904 O=C(OC1=CC(O)=C(C(=O)OCC(O)C(O)CO)C(=C1)C)C2=C(O)C=C(O)C=C2C CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OCC(C(CO)O)O)O)O)O +0419_00030 4.52 5036604 CC1=CC(=O)C2=C(C(=C(C=C2O1)O)C)O CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O +0419_00031 4.52 135464206 O=C1C=2OC=3C=C(O)C(=CC3C2C(=O)C4=C1C5=C(C=C(O)C(=C5)O)O4)O C1=C2C(=CC(=C1O)O)OC3=C2C(=O)C4=C(C3=O)C5=CC(=C(C=C5O4)O)O +0419_00032 4.58 12444681 O=C1OC2=C(C(O)=C3C(=O)OCC3=C2)OC4=C1C(=CC(=C4)O)C CC1=CC(=CC2=C1C(=O)OC3=C(O2)C(=C4C(=C3)COC4=O)O)O +0419_00033 4.63 76658 COC(=O)c1c(C)cc(O)cc1O CC1=CC(=CC(=C1C(=O)OC)O)O +0419_00034 4.65 5318562 CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)C CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O +0419_00035 4.69 12309260 O=C(OC1=CC(O)=C(C(=O)O)C(=C1)C)C2=C(O)C(O)=C(O)C=C2C CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C(=C(C=C2C)O)O)O +0419_00036 4.69 138756223 O=C1C2=C(O)C(=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3OC(=O)C)O)COC(=O)C)C=C2OC(=C1)C)C +0419_00037 4.72 12443050 O=C1OCC=2C1=C(O)C=C3OC=4C(C23)=C(C=C(O)C4)C CC1=CC(=CC2=C1C3=C(O2)C=C(C4=C3COC4=O)O)O +0419_00038 4.75 10152 COc1cc(O)c2C(=O)c3c(O)cc(C)c(O)c3C(=O)c2c1 CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O +0419_00039 4.9 361512 OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO +0419_00040 4.93 73677 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC +0419_00041 5.06 133645822 O=C1C2=C(O)C(=C(OC)C=C2OC(=C1)C)COC(=O)/C=C(CC(=O)O)/C +0419_00042 5.06 361510 C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)C(=O)O C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O +0419_00043 5.08 138756222 O=C1N[C@@H](C2=CC=CC=C2)CC(=O)N3[C@@H](C(=O)N[C@H](CC(N4[C@H]1CCC4)=O)C5=CC=CC=C5)CCC3 +0419_00044 5.08 23725 CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O +0419_00045 5.09 3083580 O=C(O)C1=C(O)C(=C(OC)C=C1C)C CC1=CC(=C(C(=C1C(=O)O)O)C)OC +0419_00046 5.15 5281657 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O +0419_00047 5.24 2826719 CCCCCc1cc(O)cc(O)c1C(O)=O CCCCCC1=C(C(=CC(=C1)O)O)C(=O)O +0419_00048 5.25 15595747 O=C(O)C1=C(O)C=C(OC)C=C1CCC CCCC1=C(C(=CC(=C1)OC)O)C(=O)O +0419_00049 5.25 21580164 O=C1O[C@H]2[C@@H](C)C([C@@]1([C@@]3(O[C@@H]([C@@H](C)[C@H]([C@H]3C)O)C)[C@H]2C)C)=O +0419_00050 5.27 138756219 O=C1OC2=C(C(=C(C(=O)O)C(=C2)O)C)OC3=C1C(=CC(=C3C)O)C CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)O)C)C)O +0419_00051 5.3 99613 Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1 CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O +0419_00052 5.3 40469822 O=C1OC2=C(C3=C(C(=O)O[C@@H]3O)C(=C2C)O)OC4=C1C(=CC(=C4C=O)O)C +0419_00053 5.36 3083633 O=C1C2=C(O)C=C(OC)C=C2C(=O)C=3C1=C(O)C=C(CO)C3 COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO +0419_00054 5.37 78435 O=C(OC)C1=C(O)C(=C(O)C=C1C)C CC1=CC(=C(C(=C1C(=O)OC)O)C)O +0419_00055 5.4 101048642 O=C1C2=C(OC(=C1)C)C(=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3OC(=O)C)OC(=O)C)COC(=O)C)C=C2O)C +0419_00056 5.48 591773 O=C(OC)C1=C(O)C(=C(O)C=C1C)C=O CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O +0419_00057 5.62 5489486 O=C1OC2=C(C(=C(C(=O)O)C(=C2CO)O)C)OC3=C1C(=CC(=C3C=O)O)C CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3CO)O)C(=O)O)C)C=O)O +0419_00058 5.63 102318064 O=C(OC1=C(O)C=C(O)C(=C1C)C(=O)O)C2=C(O)C=C(OC(=O)C3=C(O)C=C(O)C=C3C)C=C2C CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=C(C=C(C(=C3C)C(=O)O)O)O)O)O)O +0419_00059 5.63 627044 O=C1OC2=C(C(=C(C(=O)O)C(=C2C)O)C)OC3=C1C(=CC(=C3C)O)C CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C)O +0419_00060 5.63 101967024 O=C(OC)C1=C(OC)C=C2OC=3C(C2=C1C)=C(OC)C=C(C)C3C(=O)O CC1=CC(=C2C3=C(C(=C(C=C3OC2=C1C(=O)O)OC)C(=O)OC)C)OC +0419_00061 5.65 543486 O=C1OC(CCCCCCCCCCC(C(C(C=C1)O)O)O)C 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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O +8 draft_01362_00159 138756216 O=C1OC(CCCCCCCCCC(C)(C)C)C(C1C)C(=O)O +8 draft_01362_00160 101939806 O(C(=O)[C@@H](CCCCCCCCCCCCCC)[C@H](CC(O)=O)C(O)=O)C +8 draft_01362_00161 10019295 O=C1O[C@H](CCCCCCCCCCCCC)[C@H]([C@@H]1C)C(=O)O diff --git a/raw_data/0420/0420_gradient.tsv b/raw_data/0420/0420_gradient.tsv new file mode 100644 index 000000000..ba53af6b3 --- /dev/null +++ b/raw_data/0420/0420_gradient.tsv @@ -0,0 +1,3 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.25 95 5 +30 0.25 0 100 diff --git a/raw_data/0420/0420_info.tsv b/raw_data/0420/0420_info.tsv new file mode 100644 index 000000000..4c5792f27 --- /dev/null +++ b/raw_data/0420/0420_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0420 10.1038/s41597-019-0028-3 Submitted by Fangyuan Sun Fox Ramos, A.E., Le Pogam, P., Fox Alcover, C. et al ROASMI_60 diff --git a/raw_data/0420/0420_metadata.tsv b/raw_data/0420/0420_metadata.tsv new file mode 100644 index 000000000..d81d7dd9f --- /dev/null +++ b/raw_data/0420/0420_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0420 Waters SunFire C18 L1 150.0 2.1 3.5 25.0 0.25 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0420/0420_metadata.yaml b/raw_data/0420/0420_metadata.yaml new file mode 100644 index 000000000..8a284735f --- /dev/null +++ b/raw_data/0420/0420_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters SunFire C18 + id: 2.1 + temperature: 25 + flowrate: 0.25 + usp.code: L1 + length: 150 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0 + unit: '%' +id: '0420' diff --git a/raw_data/0420/0420_rtdata.tsv b/raw_data/0420/0420_rtdata.tsv new file mode 100644 index 000000000..a412284e8 --- /dev/null +++ b/raw_data/0420/0420_rtdata.tsv @@ -0,0 +1,170 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0420_00001 8.71 134716699 C=C[C@H]1CN2CCC3(C=4C=CC(=C([C@H]5CCCN5C)C4N=C3O)O)[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H] +0420_00002 9.26 441985 CC=C1C[N@]2CC[C@@H]1C(=C)c1[nH]c3ccccc3c1C2 +0420_00003 9.59 200735 OC[C@@H]1[C@@]2(N(C=3C(C42[C@]5(N(CC4)CC([C@@]1(C5)[H])=C/C)[H])=CC=CC3)C(=O)C)[H] +0420_00004 9.62 160466 C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@H]([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2)[H])[H])O +0420_00005 9.75 5462429 CN1C[C@@]2(C=C)C3C[C@H]4OC[C@@H]3[C@@H]1[C@@H]2[C@@]41C(=O)Nc2ccccc12 +0420_00006 10.05 20830956 O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)CC([C@](C5)([C@]3([C@@H](C1)O)[H])[H])=CCO)[H])C=6C2=CC=CC6)[H] +0420_00007 10.05 21680052 C=1C(=C(C=C2C1[C@@]34[C@@]5([C@@]6([C@](CC(N25)=O)(OC[C@@H]7[C@]([C@@]6(CC3=O)[H])(O7)CN(CC4)C)[H])[H])[H])OC)OC +0420_00008 10.2 157739 C[C@]1(C2=CN=CC=C2C[C@]3(C4=C(CC[N@+]13C)C5=CC=CC=C5N4)[H])[H] +0420_00009 10.35 134716656 C=CC1C2C[C@]3([C@@]45C(C6=CC=CC=C6N4)[C@@](CN3)(O[C@@](C25C(=O)OC)(O[C@]1(O[C@@H]7[C@H]([C@@H]([C@H]([C@H](CO)O7)O)O)O)[H])[H])[H])[H] +0420_00010 10.36 442095 [H][C@@]12C[C@]3([H])N(CC[C@@]33c4ccccc4N[C@@]3([H])[C@H]1CO)C[C@H]2CC +0420_00011 10.85 10991442 O[C@H]([C@@]1(CN2CC[C@@]34C5=CC=CC=C5NC4=C([C@]1(C[C@@H]32)[H])C(=O)OC)[H])C +0420_00012 10.88 134716669 C[C@@]1(C2=CN=CC=C2C[C@]3(C4=C(CC[N@+]13C)C5=CC=CC=C5N4)[H])[H] +0420_00013 11.0 441071 [H][C@@]12CC(=O)N3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] +0420_00014 11.11 441976 [H][C@@]12C[C@]3([H])N(CC[C@]33C(Nc4ccccc34)=C1C(=O)OC)CC2=CC +0420_00015 11.29 21586665 C/C=C1/C[N@+]2(C)CC[C@@]34C5=CC=CC=C5NC4=C(C=O)[C@]1(C[C@@]32[H])[H] +0420_00016 11.65 134716639 C/C=C1/CN2CCC=3C=4C=C(C=CC4NC3C2CC1CCO)O +0420_00017 11.7 21589082 C=C[C@]12C=CCN3CC[C@@]4(C5=CC=CC=C5N=C([C@@]4(C1)[H])O)[C@]23[H] +0420_00018 11.85 134716697 C[C@@H]1[C@@]2(CN3CC[C@@]45C6=CC=CC=C6N(C(CO)=O)[C@]5([C@](CO1)([C@]2(C[C@@]43O)[H])[H])[H])[H] +0420_00019 11.9 99108 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C +0420_00020 11.94 182369 C=C[C@]1(CN2CC[C@]3(C=4C=CC(=CC4N=C3O)O)[C@@]2(C[C@@]1(C[C@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])[H] +0420_00021 12.01 134716704 C/C=C1/CN2[C@]3(C[C@@]1(C4([C@@]2(CC5(C6=CC=CC=C6N(C)[C@]35[H])[C@@H]4O)[H])C(=O)OC)[H])[H] +0420_00022 12.06 5358759 C/C=C/1\CN(CCC23C4C(C1CC2=O)COC(C(=O)N4C5=CC=CC=C35)O)C +0420_00023 12.14 91844650 O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)CC([C@](C5)(C3=CC1)[H])=CCO)[H])C=6C2=CC=CC6)[H] +0420_00024 12.55 197123 OC[C@H]1[C@@]2(N(C=3C(C42[C@]5(N(CC4)CC([C@@]1(C5)[H])=C/C)[H])=CC=CC3)C(=O)C)[H] +0420_00025 12.55 6100671 CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C +0420_00026 12.57 16058537 C/C=C1/CN2CC[C@]34C5=CC=CC=C5N=C4[C@@]2(C[C@@]1(C3(COC(C)=O)C(=O)OC)[H])[H] +0420_00027 12.58 6712640 C=C[C@]1(CN2CCC=3C=4C=CC(=C([C@]5(CCCN5C)[H])C4NC3[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H])O)[H] +0420_00028 12.62 134716651 C/C=C1/CN(C)[C@]2(CC=3C4=CC=CC=C4NC3[C@](C[C@]1(C2C(=O)OC)[H])(C=5C=CC=6C(CCN)=CNC6C5)[H])[H] +0420_00029 12.95 442021 COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC +0420_00030 12.95 134716693 C/C=C1/CN2C3C[C@@]1(C(CO)([C@@]2(CC=4C5=CC=CC=C5NC43)[H])C(=O)OC)[H] +0420_00031 12.98 13376719 CC[C@@]12C=CCN3CCC=4C5=CC=CC=C5N(C4[C@]13[H])[C@](C2)(C(=O)OC)O +0420_00032 13.05 12314414 [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C(=C6)OC)OC)=O)[H])[H])[H])[H] +0420_00033 13.15 73073 [H][C@]12C[n+]3ccc4c([n-]c5ccccc45)c3C[C@]1([H])C(=CO[C@H]2C)C(=O)OC +0420_00034 13.16 6712642 C=C[C@]1(CN2CCC=3C=4C=CC(=C([C@@]5(CCCN5C)[H])C4NC3[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H])O)[H] +0420_00035 13.27 21723446 C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])O +0420_00036 13.33 134716641 C=C[C@]1(CN2CCC=3C=4C=CC(=CC4NC3[C@@]2(C[C@@]1(C[C@@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])O)[H] +0420_00037 13.39 101595 CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O +0420_00038 13.4 11953926 C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C +0420_00039 13.4 134716665 C/C=C1/C[N+]2(CC[C@@]34CC=5C=C6C(=CC5O[C@@]74[C@@]2(C[C@@]1([C@@](C(=O)OC)(N7C8=CC=CC=C83)[H])[H])[H])N[C@]9%10CC[C@@]%11(CC)CCC[N@+]%10(CC[C@@]69O)C%11)[O-] +0420_00040 13.4 134716684 C/C=C1/CN[C@]2(CC=3C4=CC=CC=C4NC3C(CC1[C@H]2C(=O)OC)=O)[H] +0420_00041 13.46 99719921 C[C@@]1([C@]23C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@]15[C@@](C2)(C(=O)OC)[H])[C@]34[H])[H] +0420_00042 13.52 9977936 C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C)C(=O)OC +0420_00043 13.57 442108 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 +0420_00044 13.6 134716640 C=C[C@]1(CN2CCC=3C=4C=C(C=CC4NC3[C@@]2(C[C@@]1(C[C@@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])O)[H] +0420_00045 13.63 251562 [H][C@]12N(CCC3=C1NC4=C3C=CC=C4)C[C@]5([C@](C2)([C@@H](C(OC)=O)[C@@H](O)CC5)[H])[H] +0420_00046 13.64 3083907 [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=CC=C6)=O)[H])[H])[H])[H] +0420_00047 13.66 22217443 C=C[C@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CCO)[H])[H])[H] +0420_00048 13.69 441074 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C/C=C1/CN2CCC=3C4=CC=CC=C4[NH2+]C3[C@@]2(C[C@@]1([C@](CC5=CN6C[C@]7([C@H](C)OC=C([C@]7(CC6=C8C5=C9C=CC=CC9=N8)[H])C(=O)OC)[H])(C(=O)OC)[H])[H])[H] +0420_00140 18.23 20485 [H][C@@]12N3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC +0420_00141 18.29 441983 C=Cc1cncc2c1cc1-c3[nH]c4ccccc4c3CCn1c2=O C=CC1=CN=CC2=C1C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 +0420_00142 18.31 439666 [H][C@@]12C[C@H](C(C=O)C(=O)OC)C(CN1CCc1c2[nH]c2ccccc12)=C/C +0420_00143 18.5 5462421 OC[C@H](C=C)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 +0420_00144 18.62 241903 [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC +0420_00145 18.63 442136 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(OC)ccc12 +0420_00146 18.73 134716691 CC[C@@]12CCCN3CCC=4C5=CC=CC=C5N([C@@](C1)(C=6C=CC7=C(C6)[C@@]89CCN%10CCC[C@@]%11(CC[C@@]8([C@@](C%11)(C(=O)OC)[H])N7C)[C@@]9%10[H])[H])C4[C@@]23[H] +0420_00147 19.49 9548854 [H][C@]12N3CCCC11CCC4(CC1)Nc1ccccc1[C@]24CC3 +0420_00148 19.52 134716689 CN1C=2C=CC(CC=3C=CC4=C(C3)[C@@]56CCN7CCC[C@@]8(CC([C@@]5(CC8)N4C)C(OC)=O)[C@@H]67)=CC2C9%10CCN%11CCC[C@@]%12(CC(C91CC%12)C(OC)=O)[C@@H]%10%11 +0420_00149 19.64 134716705 C/C=C1/CN2CC[C@@]34C5=CC=CC=C5N6[C@@]([C@]1(C[C@]2([C@]36OC(C7=C4C=CC(=C7O)O)=O)[H])[H])(C(=O)OC)[H] +0420_00150 19.99 15376 [H][C@]12N3CCC[C@@]1(CC)C[C@](O)(C(=O)OC)n1c2c(CC3)c2ccccc12 +0420_00151 21.48 96364 Cc1nccc2c(C)c3[nH]c4ccccc4c3cc12 CC1=C2C=CNC(=C2C=C3C1=NC4=CC=CC=C43)C +0420_00152 21.85 5770 [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 +0420_00153 22.14 14313083 C1=CC=C2C(=C1)C=3CCN4C(=C5C=CC=6C=NC=C(C65)C4=O)C3N2 C1CN2C(=C3C=CC4=CN=CC(=C43)C2=O)C5=C1C6=CC=CC=C6N5 +0420_00154 22.61 101277346 C/C=C/1\CN2[C@H]3CC45[C@@H]([C@H]3[C@H]1CC2[C@@H]4N(C6=CC=CC=C56)C)OC(=O)C7=CC(=C(C(=C7)OC)OC)OC +0420_00155 22.61 134716645 CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2=O)CCC4=C3NC5=CC(=C(C=C45)[C@H]6CC7[C@@H](CN(C([C@H]7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)C(=O)OC +0420_00156 23.22 132576376 CCC1=C(CC(=O)OC)[C@](C=2C3=C(C=CN2)C4=CC=CC=C4N3)(O)OC1=O +0420_00157 23.26 73534 [H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O +0420_00158 24.09 56662978 [H][C@@]12C[C@@]34CC[C@@]11N(C(=O)OC)c5ccccc5[C@@]1(CCN3C(=O)C=C4)OC2=O +0420_00159 25.06 134716666 COC(C1C[C@@]23C=CC(N3CCC4(C5=CC=CC=C5N(C(=O)OC)[C@@]14CC2)C(=O)OC)=O)=O +0420_00160 25.8 134716659 CC[C@@]12C[C@]3([C@]4([C@]5(CC)C[C@@]67CC(=C8[C@@](CCN46)(C9=CC=CC=C9N8)[C@@]7(N%10C%11=CC=CC=C%11[C@@]%12(CCN(C[C@@]%13([C@]1(O%13)[H])[H])[C@@]2%12[H])[C@]3%10O5)[H])C(=O)OC)[H])[H] +0420_00161 26.66 10345799 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(CCc5c4[nH]c4ccccc54)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O +0420_00162 26.86 10163855 C=C[C@@H]1[C@@]2(C[C@@]3(C4=C(CCN3C(C2=CO[C@]1(O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[H])=O)C6=CC=CC=C6N4)[H])[H] +0420_00163 26.94 134716685 COC([C@@H]1C[C@@]23CCCN4CCC5(C6=CC=CC=C6N(C(=O)OC)[C@]15CC2)[C@]34[H])=O +0420_00164 26.97 134716678 CCC1=C(CC(=O)OC)C(C=2C3=C(C=CN2)C4=CC=CC=C4N3)(OC)OC1=O CCC1=C(C(OC1=O)(C2=NC=CC3=C2NC4=CC=CC=C34)OC)CC(=O)OC +0420_00165 27.21 24360 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O +0420_00166 27.33 10969739 C[C@@H]1[C@@H](C=O)[C@@]2(C[C@]3(C4=C(CCN3C(C2=CO1)=O)C5=CC=CC=C5N4)[H])[H] +0420_00167 28.08 134716673 COC=1C=CC2=C(C1)[C@@]34CCN5C(C=C[C@@]65CC[C@]4([C@H]3C6)N2C(=O)OC)=O +0420_00168 28.84 134716648 CC=1C=CC2=C(C1)C=3CCN4C[C@]5(CC[C@@](C([C@]5(C[C@]4(C3N2)[H])[H])(C(=O)OC)[H])(O)[H])[H] +0420_00169 29.88 101277370 CC1[C@@]2(O1)CN([C@H]3C[C@@H]2[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)OC(=O)C5)(COC(=O)/C=C/C7=CC=CC=C7)C(=O)OC)C diff --git a/raw_data/0420/0420_rtdata.tsv.old b/raw_data/0420/0420_rtdata.tsv.old new file mode 100644 index 000000000..60a3e1a70 --- /dev/null +++ b/raw_data/0420/0420_rtdata.tsv.old @@ -0,0 +1,170 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +8.71 draft_01362_00001 134716699 C=C[C@H]1CN2CCC3(C=4C=CC(=C([C@H]5CCCN5C)C4N=C3O)O)[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H] +9.26 draft_01362_00002 441985 CC=C1C[N@]2CC[C@@H]1C(=C)c1[nH]c3ccccc3c1C2 +9.59 draft_01362_00003 200735 OC[C@@H]1[C@@]2(N(C=3C(C42[C@]5(N(CC4)CC([C@@]1(C5)[H])=C/C)[H])=CC=CC3)C(=O)C)[H] +9.62 draft_01362_00004 160466 C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@H]([C@]([C@]6(C[C@@]35[H])[H])([C@@]4(N2)[H])[H])O +9.75 draft_01362_00005 5462429 CN1C[C@@]2(C=C)C3C[C@H]4OC[C@@H]3[C@@H]1[C@@H]2[C@@]41C(=O)Nc2ccccc12 +10.05 draft_01362_00006 20830956 O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)CC([C@](C5)([C@]3([C@@H](C1)O)[H])[H])=CCO)[H])C=6C2=CC=CC6)[H] +10.05 draft_01362_00007 21680052 C=1C(=C(C=C2C1[C@@]34[C@@]5([C@@]6([C@](CC(N25)=O)(OC[C@@H]7[C@]([C@@]6(CC3=O)[H])(O7)CN(CC4)C)[H])[H])[H])OC)OC +10.2 draft_01362_00008 157739 C[C@]1(C2=CN=CC=C2C[C@]3(C4=C(CC[N@+]13C)C5=CC=CC=C5N4)[H])[H] +10.35 draft_01362_00009 134716656 C=CC1C2C[C@]3([C@@]45C(C6=CC=CC=C6N4)[C@@](CN3)(O[C@@](C25C(=O)OC)(O[C@]1(O[C@@H]7[C@H]([C@@H]([C@H]([C@H](CO)O7)O)O)O)[H])[H])[H])[H] +10.36 draft_01362_00010 442095 [H][C@@]12C[C@]3([H])N(CC[C@@]33c4ccccc4N[C@@]3([H])[C@H]1CO)C[C@H]2CC +10.85 draft_01362_00011 10991442 O[C@H]([C@@]1(CN2CC[C@@]34C5=CC=CC=C5NC4=C([C@]1(C[C@@H]32)[H])C(=O)OC)[H])C +10.88 draft_01362_00012 134716669 C[C@@]1(C2=CN=CC=C2C[C@]3(C4=C(CC[N@+]13C)C5=CC=CC=C5N4)[H])[H] +11 draft_01362_00013 441071 [H][C@@]12CC(=O)N3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H] +11.11 draft_01362_00014 441976 [H][C@@]12C[C@]3([H])N(CC[C@]33C(Nc4ccccc34)=C1C(=O)OC)CC2=CC +11.29 draft_01362_00015 21586665 C/C=C1/C[N@+]2(C)CC[C@@]34C5=CC=CC=C5NC4=C(C=O)[C@]1(C[C@@]32[H])[H] +11.65 draft_01362_00016 134716639 C/C=C1/CN2CCC=3C=4C=C(C=CC4NC3C2CC1CCO)O +11.7 draft_01362_00017 21589082 C=C[C@]12C=CCN3CC[C@@]4(C5=CC=CC=C5N=C([C@@]4(C1)[H])O)[C@]23[H] +11.85 draft_01362_00018 134716697 C[C@@H]1[C@@]2(CN3CC[C@@]45C6=CC=CC=C6N(C(CO)=O)[C@]5([C@](CO1)([C@]2(C[C@@]43O)[H])[H])[H])[H] +11.9 draft_01362_00019 99108 CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C +11.94 draft_01362_00020 182369 C=C[C@]1(CN2CC[C@]3(C=4C=CC(=CC4N=C3O)O)[C@@]2(C[C@@]1(C[C@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])[H] +12.01 draft_01362_00021 134716704 C/C=C1/CN2[C@]3(C[C@@]1(C4([C@@]2(CC5(C6=CC=CC=C6N(C)[C@]35[H])[C@@H]4O)[H])C(=O)OC)[H])[H] +12.06 draft_01362_00022 5358759 C/C=C/1\CN(CCC23C4C(C1CC2=O)COC(C(=O)N4C5=CC=CC=C35)O)C +12.14 draft_01362_00023 91844650 O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)CC([C@](C5)(C3=CC1)[H])=CCO)[H])C=6C2=CC=CC6)[H] +12.55 draft_01362_00024 197123 OC[C@H]1[C@@]2(N(C=3C(C42[C@]5(N(CC4)CC([C@@]1(C5)[H])=C/C)[H])=CC=CC3)C(=O)C)[H] +12.55 draft_01362_00025 6100671 CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C +12.57 draft_01362_00026 16058537 C/C=C1/CN2CC[C@]34C5=CC=CC=C5N=C4[C@@]2(C[C@@]1(C3(COC(C)=O)C(=O)OC)[H])[H] +12.58 draft_01362_00027 6712640 C=C[C@]1(CN2CCC=3C=4C=CC(=C([C@]5(CCCN5C)[H])C4NC3[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H])O)[H] +12.62 draft_01362_00028 134716651 C/C=C1/CN(C)[C@]2(CC=3C4=CC=CC=C4NC3[C@](C[C@]1(C2C(=O)OC)[H])(C=5C=CC=6C(CCN)=CNC6C5)[H])[H] +12.95 draft_01362_00029 442021 COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC +12.95 draft_01362_00030 134716693 C/C=C1/CN2C3C[C@@]1(C(CO)([C@@]2(CC=4C5=CC=CC=C5NC43)[H])C(=O)OC)[H] +12.98 draft_01362_00031 13376719 CC[C@@]12C=CCN3CCC=4C5=CC=CC=C5N(C4[C@]13[H])[C@](C2)(C(=O)OC)O +13.05 draft_01362_00032 12314414 [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C(=C6)OC)OC)=O)[H])[H])[H])[H] +13.15 draft_01362_00033 73073 [H][C@]12C[n+]3ccc4c([n-]c5ccccc45)c3C[C@]1([H])C(=CO[C@H]2C)C(=O)OC +13.16 draft_01362_00034 6712642 C=C[C@]1(CN2CCC=3C=4C=CC(=C([C@@]5(CCCN5C)[H])C4NC3[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H])O)[H] +13.27 draft_01362_00035 21723446 C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])O +13.33 draft_01362_00036 134716641 C=C[C@]1(CN2CCC=3C=4C=CC(=CC4NC3[C@@]2(C[C@@]1(C[C@@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])O)[H] +13.39 draft_01362_00037 101595 CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O +13.4 draft_01362_00038 11953926 C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C +13.4 draft_01362_00039 134716665 C/C=C1/C[N+]2(CC[C@@]34CC=5C=C6C(=CC5O[C@@]74[C@@]2(C[C@@]1([C@@](C(=O)OC)(N7C8=CC=CC=C83)[H])[H])[H])N[C@]9%10CC[C@@]%11(CC)CCC[N@+]%10(CC[C@@]69O)C%11)[O-] +13.4 draft_01362_00040 134716684 C/C=C1/CN[C@]2(CC=3C4=CC=CC=C4NC3C(CC1[C@H]2C(=O)OC)=O)[H] +13.46 draft_01362_00041 99719921 C[C@@]1([C@]23C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@]15[C@@](C2)(C(=O)OC)[H])[C@]34[H])[H] +13.52 draft_01362_00042 9977936 C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C)C(=O)OC +13.57 draft_01362_00043 442108 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 +13.6 draft_01362_00044 134716640 C=C[C@]1(CN2CCC=3C=4C=C(C=CC4NC3[C@@]2(C[C@@]1(C[C@@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])O)[H] +13.63 draft_01362_00045 251562 [H][C@]12N(CCC3=C1NC4=C3C=CC=C4)C[C@]5([C@](C2)([C@@H](C(OC)=O)[C@@H](O)CC5)[H])[H] +13.64 draft_01362_00046 3083907 [C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=CC=C6)=O)[H])[H])[H])[H] +13.66 draft_01362_00047 22217443 C=C[C@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CCO)[H])[H])[H] +13.69 draft_01362_00048 441074 [H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)c1ccnc2ccc(OC)cc12 +13.7 draft_01362_00049 134716702 CC[C@]1(C2CCN3CC[C@]4(C5=CC=CC=C5NC4=C2C(=O)OC)[C@@]13[H])[H] +13.8 draft_01362_00050 120716 [H][C@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2 +13.83 draft_01362_00051 71594126 CC[C@@H]1CN2CC[C@@]34C2CC1[C@H]5C3N(C(OC5)C6[C@@H]\7CC8C9=C(CC6N8C/C7=C/C)C1=CC=CC=C1N9)C1=CC=CC=C41 +13.83 draft_01362_00052 134716664 C/C=C1/CN2CC[C@@]34C5=CC=CC=C5N6[C@@]([C@]1(C[C@]2([C@@]36OC=7C=C8C(=CC7C4=O)[C@@]9(CC[N@+]%10%11CCC[C@](CC)(CC[C@@]9%10N8)C%11)O)[H])[H])(C(=O)OC)[H] +14.05 draft_01362_00053 11044739 CC[C@@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CCO)[H])[H])[H] +14.08 draft_01362_00054 101288372 COC=1C=CC=2C=3CCN4C[C@@]5(CC[C@@]([C@@]([C@]5(C[C@]4(C3NC2C1)[H])[H])(C(=O)OC)[H])(O)[H])[H] +14.23 draft_01362_00055 134716675 C=C[C@@](CO)([C@]1(CC[N@@+]2(C)CCC=3C4=CC=CC=C4NC3[C@@]2(C1)[H])[H])[H] +14.24 draft_01362_00056 134716660 C/C=C1/CN(C)[C@@]2(C(=C)[C@]1(CC(C3=C2C4=CC=CC=C4N3)=O)[H])[H] +14.25 draft_01362_00057 92766 COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O +14.25 draft_01362_00058 134716706 C/C=C1/CN2C3C[C@@]1(C(CO)([C@@]2(CC=4C5=CC=CC=C5N(C)C43)[H])C(=O)OC)[H] +14.26 draft_01362_00059 11759947 C/C=C/1CN(C)C[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]12[H])=O)C(=O)OC +14.3 draft_01362_00060 441978 COC(=O)C12CO[C@]34[C@@H]5C[C@@H]1C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C +14.35 draft_01362_00061 6441095 C/C=C1/CN(C)C[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]12[H])=O)[H] +14.36 draft_01362_00062 10933868 CCC=1C=CC2=C3C(CCN2C1)=C4C=CC=CC4=N3 +14.42 draft_01362_00063 442097 [H][C@@]1(CC)CN2CC[C@@]34c5ccccc5N5[C@@]([H])(OC[C@@]([H])([C@@]1([H])C[C@]23[H])[C@@]45[H])[C@]([H])(C(=O)OC)[C@@]1([H])C[C@]2([H])N(CCc3c2[nH]c2ccccc32)CC1=CC +14.43 draft_01362_00064 12304047 CC[C@@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CC=O)[H])[H])[H] +14.53 draft_01362_00065 101630635 CCC1CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CC=5C6=C(C=CN5)C7=CC=CC=C7N6)[H])[H] +14.62 draft_01362_00066 101603155 C/C=C/1\CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(CO)C(=O)OC +14.66 draft_01362_00067 134716663 C/C=C1/CN2CC[C@@]34CC=5C=C6C=7CCN8CCC[C@](CC)(CCC7NC6=CC5O[C@@]94[C@]2(C[C@]1([C@@](C(=O)OC)(N9C%10=CC=CC=C%103)[H])[H])[H])C8 +14.71 draft_01362_00068 11266327 CC=C1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@H]3C=O +14.73 draft_01362_00069 45268651 CC[C@@H]1CN(C)[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]1([C@H]2C(=O)OC)[H])=O)[H] +14.74 draft_01362_00070 14821383 CC[C@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(C[C@]5(C6=C(CCN5C)C7=CC=CC=C7N6)[H])[H])[H])[H] +14.8 draft_01362_00071 442121 CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]1C[C@@H]2N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C +14.82 draft_01362_00072 134716652 C/C=C1/C[N+]2(C)CCC=3C4=CC=CC=C4N5C(CO)[C@]1(C[C@]2(C35)[H])[H] +14.82 draft_01362_00073 134716683 CC[C@]1(C[C@@]23CC4([C@]5(CCN4[C@@H]21)C6=CC=CC=C6NC5=C3C(=O)OC)[H])O +14.9 draft_01362_00074 134716668 C[C@@H]([C@@]1(C[C@]2(C[C@]3(C4=C(CCN(C2)[C@@]13[H])C=5C=C(C=CC5N4)OC)[H])[H])[H])O +14.91 draft_01362_00075 134716694 C/C=C1/CN2C3C[C@@]1(C4([C@@]2(C[C@]5(C6=CC=CC=C6N[C@@]35[H])[C@@H]4O)[H])C(=O)OC)[H] +14.99 draft_01362_00076 161765 CC[C@@]1(CN(C)C[C@]2(CC=3C4=CC=CC=C4NC3C(C[C@@]12[H])=O)C(=O)OC)[H] +15.01 draft_01362_00077 134716692 C/C=C1/CN2CC[C@]34CN5C6=C(C=CC=C6[C@]74[C@@]2(C[C@@]1([C@@](C(=O)OC)(N7C8=CC=CC=C83)[H])[H])[H])[C@@]9%10CCN%11CCC[C@@]%12(CC[C@@]95[C@@]%12(C)[H])[C@@]%10%11[H] +15.05 draft_01362_00078 92990 CC[C@]12CCC[N@@](C1)CCc1c(CC2)[nH]c2ccccc12 +15.06 draft_01362_00079 134716686 COC([C@@H]1C[C@@]23CCCN4C(CC5(C6=CC=CC=C6N(C)[C@]15CC2)[C@]34[H])=O)=O +15.07 draft_01362_00080 137628524 CC[C@H]1C[C@H]2CC3([C@H]1N(C2O)CCC4=C3NC5=C4C=CC(=C5[C@@H]6C[C@H]7[C@@H](CN([C@H](C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)[C-]=[O+]OC +15.2 draft_01362_00081 8969 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O +15.2 draft_01362_00082 49863629 C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]5[C@@H]3N(C=C([C@H]5O)[C@H]\6CC7=[N+](C/C6=C/C)C=CC8=C7NC9=CC=CC=C89)C1=CC=CC=C41 +15.28 draft_01362_00083 442117 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(ccc12)[C@H]1C[C@@H]2C([C@@H](Cc3c1[nH]c1ccccc31)N(C)CC2=CC)C(=O)OC +15.32 draft_01362_00084 189778 CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89[C@H]1N7CC(=CC)[C@H](C1)[C@H]1[C@@H]8N(C(=O)C=C1)C1=CC=CC=C91 +15.32 draft_01362_00085 5281415 C/C=C\1/CN([C@@H]2CC3=C(C(=O)C[C@@H]1C2C(=O)OC)NC4=CC=CC=C34)C +15.34 draft_01362_00086 100217 [H][C@@]12C[C@H]3C[C@H](CC)[C@]1([H])N(CCc1c2[nH]c2ccccc12)C3 +15.35 draft_01362_00087 11764857 C/C=C\1/CN2[C@H]3C[C@@H]1C4=CCC(=O)N5[C@@H]4[C@]3(C[C@@H]2C6=C[C@H]7[C@H]\8C[C@H]9[C@@]1([C@H]7N(C6=O)C2=CC=CC=C21)CCN9C/C8=C/CO)C1=CC=CC=C15 +15.35 draft_01362_00088 134716653 C/C=C1/C2CC[N@+]3(CC[C@]4(C5=CC=CC=C5NC4=C2C(=O)OC)[C@@]13[H])[O-] +15.48 draft_01362_00089 134716676 C/C=C1/C[N+]2(C)CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CC=5C6=C(C=CN5)C7=CC=CC=C7N6)[H])[H] +15.55 draft_01362_00090 10372073 C/C=C\1/CN2[C@H]3C[C@@H]1C4=CCC(=O)N5[C@@H]4[C@]3(C[C@@H]2[C@H]6[C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15 +15.64 draft_01362_00091 134716681 C/C=C1/C[N+]2(C)[C@]3(CC=4C5=CC=CC=C5NC4[C@@]2(C[C@@]1(C3C(=O)[O-])[H])[H])[H] +15.75 draft_01362_00092 442037 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1cc(OC)c(OC)cc41 +15.76 draft_01362_00093 134716679 C/C=C1/CN2[C@]3(C[C@@]1(C4([C@@]2(CC5(C=6C=C(C=CC6N(C)[C@]35[H])O)[C@@]4(OC(C7=CC(=C(C(=C7)OC)OC)OC)=O)[H])[H])C(=O)OC)[H])[H] +15.81 draft_01362_00094 132576378? CC[C@@]1(CN2CC[C@@]34C5=CC=CC=C5N6[C@]4([C@@](CO[C@]6([C@@]([C@]/7(CC=8C9=C(C=C[N+]8CC7=CC)C=%10C=CC=CC%10N9)[H])(C(=O)OC)[H])[H])([C@]1(C[C@@]32[H])[H])[H])[H])[H] +15.89 draft_01362_00095 441080 [H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)N1[C@H]1C[C@@]4([C@H](O)C31)c1ccccc1N(C)[C@@]24[H] +15.95 draft_01362_00096 134716657 C[C@H]1[C@@H]2CN(C)CC[C@@]34C5=CC=CC=C5N[C@]4([C@](CO1)([C@]2(CC3=O)[H])[H])[H] +15.99 draft_01362_00097 134716655 CC[C@@]12CC[C@@]34[C@@](CCN(C[C@@]5([C@]1(O5)[H])[H])[C@@]23[H])(C=6C=C(C=CC6N4)[C@]7([C@@]8([C@]([C@@]9(CC)CC(=C%10[C@]%11(CCN7[C@@]9%11[H])C%12=CC=CC=C%12N%10)C(=O)OC)(O8)[H])[H])[H])[H] +16 draft_01362_00098 76323084 C/C=C/1\CN(CC[C@]23[C@@H]4[C@@H]([C@H]1CC2=O)CO[C@@H](C(=O)N4C5=CC=CC=C35)OC)C +16.03 draft_01362_00099 5471853? C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(C6=CC=CC=C46)C(=O)C(=C5)[C@H]7C[C@@]89[C@H]1N7C/C(=C/C)/[C@H](C1)C1=CCC(=O)N([C@@H]18)C1=CC=CC=C91 +16.07 draft_01362_00100 11969719 C/C=C(/C=O)[C@@]1(CC2C3=C(CCN2C)C4=CC=CC=C4N3[C@](C1)(O)[H])[H] +16.11 draft_01362_00101 363275 CCC1=CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@@H]13)C(=O)OC +16.12 draft_01362_00102 73532 COC=1C=CC=2C=3CCN4C[C@]5(C[C@H]([C@@H]([C@H]([C@]5(C[C@@]4(C3NC2C1)[H])[H])C(=O)OC)OC)O)[H] +16.17 draft_01362_00103 11404482 C/C=C1/CN2[C@]3(CC=4C5=CC=CC=C5NC4[C@@]2(C[C@@]1([C@H]3C(=O)OC)[H])[H])[H] +16.27 draft_01362_00104 134716672 CC[C@]1(CN2CC[C@@]34C5=CC=CC=C5N6C[C@@]7(C[C@@]8(C[C@](CC)(N9CC[C@@]%10(C%11=CC=CC=C%11N=C7%10)C89)[H])[H])CC([C@]1(CC32)[H])=C46)[H] +16.28 draft_01362_00105 5462428 O1[C@H]2[C@]3(C(N(OC)C=4C=C(OC)C=CC34)=O)C[C@]5([C@@](C1)([C@H]([C@H](N5)CC)C2)[H])[H] +16.28 draft_01362_00106 134716646 CC[C@@]1(C[C@@]2(C[C@@]3(C4=C(CCN(C2)[C@]13[H])C5=CC(=C(C=C5N4)OC)[C@]6(C[C@]7([C@H](CC)CN(C)[C@@](CC=8C9=CC=CC=C9NC86)(C7C(=O)OC)[H])[H])O)C(=O)OC)[H])[H] +16.3 draft_01362_00107 134716654 CC[C@]1(C[C@]2(C[C@]3(C4=C(CCN(C2)C13)C5=CC(=C(C=C5N4)OC)OC)C(=O)OC)[H])[H] +16.3 draft_01362_00108 134716677 C/C=C1/CN(C)[C@]2(CC=3C4=CC=CC=C4N(C)C3C(CC1C2C(=O)OC)=O)[H] +16.33 draft_01362_00109 134716698 C/C=C1/CN2[C@](C[C@@]34C5=CC=CC=C5N6C(C=CC([C@]1(C[C@@]32[H])[H])[C@@]46[H])=O)([C@]7([C@]8([C@@]9([C@]%10(C[C@]%11([C@@]%12(CCN%11CC%10=CCO8)C%13=CC=CC=C%13N([C@@]9%12[H])C7=O)[H])[H])[H])[H])[H])[H] +16.43 draft_01362_00110 442114 [H][C@@]1(C[C@]2([H])N(CC[C@]22C(=O)Nc3ccccc23)C[C@@H]1CC)C(=C/OC)C(=O)OC +16.49 draft_01362_00111 10384401 C/C=C1/CN2CC[C@@]3(C4=CC=CC=C4N5C=C([C@]1(C[C@]2([C@]35O)[H])[H])C(=O)OC)O +16.6 draft_01362_00112 14634684 CC[C@]1(CN2CCC=3C4=CC(=C(C=C4NC3[C@@]2(C[C@@]1(CCO)[H])[H])OC)OC)[H] +16.62 draft_01362_00113 215338 CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 +16.64 draft_01362_00114 10433813 C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1CC4=NC=CC5=C4NC6=C5C=C(C=C6)O)NC7=CC=CC=C37 +16.68 draft_01362_00115 94151 C=C[C@]1(CN2CC[C@]1(C[C@]2(C3=C(CCO)C4=CC=CC=C4N3)[H])[H])[H] +16.7 draft_01362_00116 3037997 C=C[C@]1(CN2CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(/C(=C(OC)/[H])/C(=O)OC)[H])[H])[H] +16.7 draft_01362_00117 134716674 CC[C@]12C=CCN3CC[C@@]4(C5=CC([C@]6(C=C[C@@]7(CC)CC(=C8[C@]9(CCN6[C@@]79[H])C=%10C=CC=C(C%10N8)O)C(=O)OC)[H])=C(C=C5NC4=C(C1)C(=O)OC)O)[C@]23[H] +16.74 draft_01362_00118 134716643 C/C=C1/C[N+]=2C=CC=3C=4C=CC=CC4NC3C2CC1CCO +16.74 draft_01362_00119 134716650 C/C=C1/CN2[C@]3(C[C@@]1(C(CO)(C(=O)OC)[C@@]45C[C@@]2(O[C@@]34NC6=CC=CC=C65)[H])[H])[H] +16.76 draft_01362_00120 12303796 C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] +16.76 draft_01362_00121 102004769 CC[C@]1(C[C@@]2(CC3(C4=C(CCN(C2)[C@@]13[H])C=5C=C(C=CC5N4)OC)C(=O)OC)[H])[H] +16.78 draft_01362_00122 201935 [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@H]1CC)C(=C/OC)C(=O)OC +16.85 draft_01362_00123 73489 CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@H]13)C(=O)OC +16.9 draft_01362_00124 134716658 C/C=C/1\CN2CC[C@@]34C2(CC[C@@H]1[C@H]3C(=O)OC)N(C5=C4C=C(C(=C5)C6=CC7=C(C=C6OC)N([C@@H]8[C@@]79CCN1C8C[C@H]([C@@H]9C(=O)OC)/C(=C\C)/C1)C)OC)C +16.96 draft_01362_00125 161336 [H][C@@]1(C[C@H]2[C@@H](C=C)[C@@H](OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)NCCc2c1[nH]c1ccccc21 +17.02 draft_01362_00126 67228 C(OC)(=O)C=1[C@]2(C[C@@]3(C4=C(C5=C(N4)C=C(C(=C5)OC)OC)CCN3C[C@]2([C@@H](OC1)C)[H])[H])[H] +17.16 draft_01362_00127 134716688 COC([C@@H]1C[C@@]23CCC[N+]4(CCC5(C6=CC=CC=C6N(C(=O)OC)[C@]15CC2)[C@]34[H])[O-])=O +17.23 draft_01362_00128 134716687 COC([C@@H]1C[C@@]23CCCN4CCC5(C6=CC=CC=C6N(C)[C@]15CC2)[C@]34[H])=O +17.32 draft_01362_00129 85074732 CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC +17.38 draft_01362_00130 134716703 C/C=C1/CN2CC[C@]34CC5C6CC7(C8=C(CC(C6CO[C@]5(C)O[C@]94[C@@]2(C[C@@]1([C@@](C(=O)OC)(N9C%10=CC=CC=C%103)[H])[H])[H])N7C)C%11=CC=CC=C%11N8C)[H] +17.46 draft_01362_00131 5385014 C/C=C1/CN2CCC=3C4=CC=CC=C4N5C3[C@@]2(C[C@@]1([C@H]5C(=O)OC)[H])[H] +17.49 draft_01362_00132 24767757 CC[C@]12CCCN[C@]1(N3C4=CC=CC=C4C(CCO)=C3CC2)[H] +17.52 draft_01362_00133 442122 CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7C([C@@H](Cc8c6[nH]c6ccccc86)N(C)CC7=CC)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC +17.54 draft_01362_00134 441975 C=1C=CC=2NC=3[C@]4(N(CCC3C2C1)C[C@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] +17.77 draft_01362_00135 134716701 C/C=C\1/CN2[C@H]3C[C@@H]1C4([C@@H]2CC5([C@@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)/C=C/C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC +17.96 draft_01362_00136 134716690 C1C[C@]23CC(C4(CC2)C5(CCN(C1)[C@@H]35)C6=CC(=CC=C6N4C)CC7=CC=C8C(=C7)[C@@]9%10CCN%11CCC[C@@]%12(CC([C@@]9(CC%12)N8)C(O)=O)[C@@H]%10%11)C(OC)=O +18.12 draft_01362_00137 14442600 CC[C@@]12CCCN3C(C=C(C4=CC=CC=C4NC(CC1)=O)[C@@]23O)=O +18.14 draft_01362_00138 1268096 C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 +18.2 draft_01362_00139 134716695 C/C=C1/CN2CCC=3C4=CC=CC=C4[NH2+]C3[C@@]2(C[C@@]1([C@](CC5=CN6C[C@]7([C@H](C)OC=C([C@]7(CC6=C8C5=C9C=CC=CC9=N8)[H])C(=O)OC)[H])(C(=O)OC)[H])[H])[H] +18.23 draft_01362_00140 20485 [H][C@@]12N3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC +18.29 draft_01362_00141 441983 C=Cc1cncc2c1cc1-c3[nH]c4ccccc4c3CCn1c2=O +18.31 draft_01362_00142 439666 [H][C@@]12C[C@H](C(C=O)C(=O)OC)C(CN1CCc1c2[nH]c2ccccc12)=C/C +18.5 draft_01362_00143 5462421 OC[C@H](C=C)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 +18.62 draft_01362_00144 241903 [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC +18.63 draft_01362_00145 442136 CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(OC)ccc12 +18.73 draft_01362_00146 134716691 CC[C@@]12CCCN3CCC=4C5=CC=CC=C5N([C@@](C1)(C=6C=CC7=C(C6)[C@@]89CCN%10CCC[C@@]%11(CC[C@@]8([C@@](C%11)(C(=O)OC)[H])N7C)[C@@]9%10[H])[H])C4[C@@]23[H] +19.49 draft_01362_00147 9548854 [H][C@]12N3CCCC11CCC4(CC1)Nc1ccccc1[C@]24CC3 +19.52 draft_01362_00148 134716689 CN1C=2C=CC(CC=3C=CC4=C(C3)[C@@]56CCN7CCC[C@@]8(CC([C@@]5(CC8)N4C)C(OC)=O)[C@@H]67)=CC2C9%10CCN%11CCC[C@@]%12(CC(C91CC%12)C(OC)=O)[C@@H]%10%11 +19.64 draft_01362_00149 134716705 C/C=C1/CN2CC[C@@]34C5=CC=CC=C5N6[C@@]([C@]1(C[C@]2([C@]36OC(C7=C4C=CC(=C7O)O)=O)[H])[H])(C(=O)OC)[H] +19.99 draft_01362_00150 15376 [H][C@]12N3CCC[C@@]1(CC)C[C@](O)(C(=O)OC)n1c2c(CC3)c2ccccc12 +21.48 draft_01362_00151 96364 Cc1nccc2c(C)c3[nH]c4ccccc4c3cc12 +21.85 draft_01362_00152 5770 [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 +22.14 draft_01362_00153 14313083 C1=CC=C2C(=C1)C=3CCN4C(=C5C=CC=6C=NC=C(C65)C4=O)C3N2 +22.61 draft_01362_00154 101277346 C/C=C/1\CN2[C@H]3CC45[C@@H]([C@H]3[C@H]1CC2[C@@H]4N(C6=CC=CC=C56)C)OC(=O)C7=CC(=C(C(=C7)OC)OC)OC +22.61 draft_01362_00155 134716645 CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2=O)CCC4=C3NC5=CC(=C(C=C45)[C@H]6CC7[C@@H](CN(C([C@H]7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)OC)C(=O)OC +23.22 draft_01362_00156 132576376 CCC1=C(CC(=O)OC)[C@](C=2C3=C(C=CN2)C4=CC=CC=C4N3)(O)OC1=O +23.26 draft_01362_00157 73534 [H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O +24.09 draft_01362_00158 56662978 [H][C@@]12C[C@@]34CC[C@@]11N(C(=O)OC)c5ccccc5[C@@]1(CCN3C(=O)C=C4)OC2=O +25.06 draft_01362_00159 134716666 COC(C1C[C@@]23C=CC(N3CCC4(C5=CC=CC=C5N(C(=O)OC)[C@@]14CC2)C(=O)OC)=O)=O +25.8 draft_01362_00160 134716659 CC[C@@]12C[C@]3([C@]4([C@]5(CC)C[C@@]67CC(=C8[C@@](CCN46)(C9=CC=CC=C9N8)[C@@]7(N%10C%11=CC=CC=C%11[C@@]%12(CCN(C[C@@]%13([C@]1(O%13)[H])[H])[C@@]2%12[H])[C@]3%10O5)[H])C(=O)OC)[H])[H] +26.66 draft_01362_00161 10345799 OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(CCc5c4[nH]c4ccccc54)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O +26.86 draft_01362_00162 10163855 C=C[C@@H]1[C@@]2(C[C@@]3(C4=C(CCN3C(C2=CO[C@]1(O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[H])=O)C6=CC=CC=C6N4)[H])[H] +26.94 draft_01362_00163 134716685 COC([C@@H]1C[C@@]23CCCN4CCC5(C6=CC=CC=C6N(C(=O)OC)[C@]15CC2)[C@]34[H])=O +26.97 draft_01362_00164 134716678 CCC1=C(CC(=O)OC)C(C=2C3=C(C=CN2)C4=CC=CC=C4N3)(OC)OC1=O +27.21 draft_01362_00165 24360 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O +27.33 draft_01362_00166 10969739 C[C@@H]1[C@@H](C=O)[C@@]2(C[C@]3(C4=C(CCN3C(C2=CO1)=O)C5=CC=CC=C5N4)[H])[H] +28.08 draft_01362_00167 134716673 COC=1C=CC2=C(C1)[C@@]34CCN5C(C=C[C@@]65CC[C@]4([C@H]3C6)N2C(=O)OC)=O +28.84 draft_01362_00168 134716648 CC=1C=CC2=C(C1)C=3CCN4C[C@]5(CC[C@@](C([C@]5(C[C@]4(C3N2)[H])[H])(C(=O)OC)[H])(O)[H])[H] +29.88 draft_01362_00169 101277370 CC1[C@@]2(O1)CN([C@H]3C[C@@H]2[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)OC(=O)C5)(COC(=O)/C=C/C7=CC=CC=C7)C(=O)OC)C diff --git a/raw_data/0421/0421_gradient.tsv b/raw_data/0421/0421_gradient.tsv new file mode 100644 index 000000000..6dcd89be6 --- /dev/null +++ b/raw_data/0421/0421_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 80 20 +5 0.3 80 20 +20 0.3 50 50 +25 0.3 0 100 diff --git a/raw_data/0421/0421_info.tsv b/raw_data/0421/0421_info.tsv new file mode 100644 index 000000000..2afb9ada6 --- /dev/null +++ b/raw_data/0421/0421_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0421 10.1016/j.aca.2011.01.006 Submitted by Fangyuan Sun Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire ROASMI_54 diff --git a/raw_data/0421/0421_metadata.tsv b/raw_data/0421/0421_metadata.tsv new file mode 100644 index 000000000..d83dbc069 --- /dev/null +++ b/raw_data/0421/0421_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0421 Waters SunFire C18 L1 150.0 2.1 3.5 35.0 0.3 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 80.0 20.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0421/0421_metadata.yaml b/raw_data/0421/0421_metadata.yaml new file mode 100644 index 000000000..6823f8e7a --- /dev/null +++ b/raw_data/0421/0421_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Waters SunFire C18 + id: 2.1 + temperature: 35 + flowrate: 0.3 + usp.code: L1 + length: 150 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0421' diff --git a/raw_data/0421/0421_rtdata.tsv b/raw_data/0421/0421_rtdata.tsv new file mode 100644 index 000000000..84a82e014 --- /dev/null +++ b/raw_data/0421/0421_rtdata.tsv @@ -0,0 +1,118 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0421_00001 0.9 4913 CCN(CC)CCNC(=O)C1=CC=C(C=C1)N CCN(CC)CCNC(=O)C1=CC=C(C=C1)N +0421_00002 1.1 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +0421_00003 1.2 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N CC1=C(N=CN1)CSCCNC(=NC)NC#N +0421_00004 1.2 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CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3 +20.1 draft_01362_00102 5281004 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C +20.4 draft_01362_00103 208910 CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C +20.7 draft_01362_00104 2471 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 +21.3 draft_01362_00105 4911 CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O +21.4 draft_01362_00106 54677972 CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O +21.8 draft_01362_00107 119828 CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C +21.9 draft_01362_00108 4495 CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 +22 draft_01362_00109 13789 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C +22 draft_01362_00110 5833 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C +22.1 draft_01362_00111 10041070 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O +22.4 draft_01362_00112 2998 CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC +22.6 draft_01362_00113 1548943 CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC +22.9 draft_01362_00114 6857686 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O +24 draft_01362_00115 4781 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 +24 draft_01362_00116 15052414 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CSC(=O)C(C)(C)C)O)C)O +25.1 draft_01362_00117 108207 CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O diff --git a/raw_data/0422/0422_gradient.tsv b/raw_data/0422/0422_gradient.tsv new file mode 100644 index 000000000..bbcbea22c --- /dev/null +++ b/raw_data/0422/0422_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +16 0.3 5 95 diff --git a/raw_data/0422/0422_info.tsv b/raw_data/0422/0422_info.tsv new file mode 100644 index 000000000..c195218c6 --- /dev/null +++ b/raw_data/0422/0422_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0422 10.1016/j.foodchem.2018.09.045 Submitted by Fangyuan Sun Vesna Vasić, Uroš Gašić, Dalibor Stanković, Dražen Lušić, Darija Vukić-Lušić, Dušanka Milojković-Opsenica, Živoslav Tešić, Jelena Trifković ROASMI_2 column temperature diff --git a/raw_data/0422/0422_metadata.tsv b/raw_data/0422/0422_metadata.tsv new file mode 100644 index 000000000..b0ae572ef --- /dev/null +++ b/raw_data/0422/0422_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0422 Thermo Scientific Syncronis C18 L1 100.0 2.1 1.7 0.3 100 0 0 0 0 0 0 0 0 0.0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 5.0 95.0 0 0 % % % % diff --git a/raw_data/0422/0422_metadata.yaml b/raw_data/0422/0422_metadata.yaml new file mode 100644 index 000000000..4c45f2cb8 --- /dev/null +++ b/raw_data/0422/0422_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Thermo Scientific Syncronis C18 + id: 2.1 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '1.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + acetic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + acetic: + value: 0.1 + unit: '%' +id: '0422' diff --git a/raw_data/0422/0422_rtdata.tsv b/raw_data/0422/0422_rtdata.tsv new file mode 100644 index 000000000..4556e1352 --- /dev/null +++ b/raw_data/0422/0422_rtdata.tsv @@ -0,0 +1,34 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0422_00001 4.44 72 C1=CC(=C(C=C1C(=O)O)O)O C1=CC(=C(C=C1C(=O)O)O)O +0422_00002 4.91 5281417 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O +0422_00003 5.26 5280633 C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +0422_00004 5.41 135 C1=CC(=CC=C1C(=O)O)O C1=CC(=CC=C1C(=O)O)O +0422_00005 5.48 3469 C1=CC(=C(C=C1O)C(=O)O)O C1=CC(=C(C=C1O)C(=O)O)O +0422_00006 5.62 127 C1=CC(=CC=C1CC(=O)O)O C1=CC(=CC=C1CC(=O)O)O +0422_00007 5.63 8468 COC1=C(C=CC(=C1)C(=O)O)O COC1=C(C=CC(=C1)C(=O)O)O +0422_00008 5.77 5281416 C1=CC(=O)OC2=CC(=C(C=C21)O)O C1=CC(=O)OC2=CC(=C(C=C21)O)O +0422_00009 5.8 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O +0422_00010 6.44 5280805 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +0422_00011 6.68 637542 C1=CC(=CC=C1/C=C/C(=O)O)O +0422_00012 6.71 5280804 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O +0422_00013 7.02 637775 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O +0422_00014 7.03 442428 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O +0422_00015 7.04 445858 COC1=C(C=CC(=C1)/C=C/C(=O)O)O +0422_00016 7.17 5280459 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O +0422_00017 7.9 5280536 COC1=C(C=CC(=C1)/C=C/C=O)O +0422_00018 8.24 5280343 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +0422_00019 8.59 440735 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O +0422_00020 8.69 5280445 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O +0422_00021 9.44 932 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +0422_00022 9.52 5280443 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +0422_00023 9.53 5280961 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O +0422_00024 9.7 5280863 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0422_00025 9.74 73202 C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O +0422_00026 9.87 5281654 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +0422_00027 9.94 5280666 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +0422_00028 10.75 5281617 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O +0422_00029 11.61 5281607 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O +0422_00030 11.7 68071 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 +0422_00031 11.82 5281666 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +0422_00032 11.84 5281616 C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +0422_00033 12.2 5280442 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O diff --git a/raw_data/0422/0422_rtdata.tsv.old b/raw_data/0422/0422_rtdata.tsv.old new file mode 100644 index 000000000..1fa1d3d74 --- /dev/null +++ b/raw_data/0422/0422_rtdata.tsv.old @@ -0,0 +1,34 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +4.44 draft_01362_00001 72 C1=CC(=C(C=C1C(=O)O)O)O +4.91 draft_01362_00002 5281417 C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O +5.26 draft_01362_00003 5280633 C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +5.41 draft_01362_00004 135 C1=CC(=CC=C1C(=O)O)O +5.48 draft_01362_00005 3469 C1=CC(=C(C=C1O)C(=O)O)O +5.62 draft_01362_00006 127 C1=CC(=CC=C1CC(=O)O)O +5.63 draft_01362_00007 8468 COC1=C(C=CC(=C1)C(=O)O)O +5.77 draft_01362_00008 5281416 C1=CC(=O)OC2=CC(=C(C=C21)O)O +5.8 draft_01362_00009 689043 C1=CC(=C(C=C1/C=C/C(=O)O)O)O +6.44 draft_01362_00010 5280805 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O +6.68 draft_01362_00011 637542 C1=CC(=CC=C1/C=C/C(=O)O)O +6.71 draft_01362_00012 5280804 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O +7.02 draft_01362_00013 637775 COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O +7.03 draft_01362_00014 442428 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O +7.04 draft_01362_00015 445858 COC1=C(C=CC(=C1)/C=C/C(=O)O)O +7.17 draft_01362_00016 5280459 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O +7.9 draft_01362_00017 5280536 COC1=C(C=CC(=C1)/C=C/C=O)O +8.24 draft_01362_00018 5280343 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O +8.59 draft_01362_00019 440735 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O +8.69 draft_01362_00020 5280445 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O +9.44 draft_01362_00021 932 C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O +9.52 draft_01362_00022 5280443 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +9.53 draft_01362_00023 5280961 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O +9.7 draft_01362_00024 5280863 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +9.74 draft_01362_00025 73202 C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O +9.87 draft_01362_00026 5281654 COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O +9.94 draft_01362_00027 5280666 COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O +10.75 draft_01362_00028 5281617 COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O +11.61 draft_01362_00029 5281607 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O +11.7 draft_01362_00030 68071 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 +11.82 draft_01362_00031 5281666 COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +11.84 draft_01362_00032 5281616 C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O +12.2 draft_01362_00033 5280442 COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O diff --git a/raw_data/0423/0423_gradient.tsv b/raw_data/0423/0423_gradient.tsv new file mode 100644 index 000000000..686ab88aa --- /dev/null +++ b/raw_data/0423/0423_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.2 90 10 +4 0.2 50 50 +17 0.2 5 95 +25 0.2 5 95 diff --git a/raw_data/0423/0423_info.tsv b/raw_data/0423/0423_info.tsv new file mode 100644 index 000000000..4cb22cf3a --- /dev/null +++ b/raw_data/0423/0423_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0423 10.1016/j.jhazmat.2020.123706 Submitted by Fangyuan Sun Younghun Choi, Ji-Ho Lee, Kyunghyun Kim, Hyunsaing Mun, Naree Park, Junho Jeon ROASMI_11 column id, temperature, length, particle size diff --git a/raw_data/0423/0423_metadata.tsv b/raw_data/0423/0423_metadata.tsv new file mode 100644 index 000000000..62f886ed0 --- /dev/null +++ b/raw_data/0423/0423_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0423 Waters XBridge C18 L1 0.2 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 5.0 95.0 0 0 % % % % diff --git a/raw_data/0423/0423_metadata.yaml b/raw_data/0423/0423_metadata.yaml new file mode 100644 index 000000000..4c9abfd9d --- /dev/null +++ b/raw_data/0423/0423_metadata.yaml @@ -0,0 +1,26 @@ +column: + name: Waters XBridge C18 + flowrate: 0.2 + usp.code: L1 +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0423' diff --git a/raw_data/0423/0423_rtdata.tsv b/raw_data/0423/0423_rtdata.tsv new file mode 100644 index 000000000..30fe24d09 --- /dev/null +++ b/raw_data/0423/0423_rtdata.tsv @@ -0,0 +1,45 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0423_00001 1.2 4091 CN(C)C(=N)N=C(N)N CN(C)C(=N)N=C(N)N +0423_00002 1.2 3033889 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C +0423_00003 3.5 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0423_00004 3.5 21109 COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC +0423_00005 3.6 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N CC1=C(N=CN1)CSCCNC(=NC)NC#N +0423_00006 4.2 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +0423_00007 4.4 5336 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0423_00008 4.6 2159 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC +0423_00009 4.7 3000540 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O +0423_00010 4.7 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0423_00011 4.7 25429 COC(=O)NC1=NC2=CC=CC=C2N1 COC(=O)NC1=NC2=CC=CC=C2N1 +0423_00012 4.7 62936 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O +0423_00013 5.2 3676 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C CCN(CC)CC(=O)NC1=C(C=CC=C1C)C +0423_00014 5.2 5327 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C +0423_00015 5.6 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +0423_00016 5.7 5329 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N +0423_00017 5.7 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +0423_00018 5.8 7220 C1=CC2=NNN=C2C=C1 C1=CC2=NNN=C2C=C1 +0423_00019 5.9 2206 CC1=CC(=O)N(N1C)C2=CC=CC=C2 CC1=CC(=O)N(N1C)C2=CC=CC=C2 +0423_00020 6.7 2405 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O +0423_00021 6.9 5656 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +0423_00022 7.2 4946 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O +0423_00023 7.2 122499 CC1=CC=CC2=NNN=C12 CC1=CC=CC2=NNN=C12 +0423_00024 7.3 39040 CC1=C2C(=CC=C1)SC3=NN=CN23 CC1=C2C(=CC=C1)SC3=NN=CN23 +0423_00025 7.4 3100 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 +0423_00026 7.9 19388302 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 +0423_00027 8.0 34312 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N +0423_00028 8.6 3348 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O +0423_00029 8.9 2328 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O +0423_00030 9.3 2554 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N +0423_00031 9.9 125098 CCC(C)OC(=O)N1CCCCC1CCO CCC(C)OC(=O)N1CCCCC1CCO +0423_00032 10.0 6915744 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O +0423_00033 10.0 4284 CCN(CC)C(=O)C1=CC=CC(=C1)C CCN(CC)C(=O)C1=CC=CC(=C1)C +0423_00034 10.0 42586 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC +0423_00035 11.0 3749 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 +0423_00036 11.0 3034285 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC +0423_00037 11.0 13097 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 +0423_00038 12.0 156391 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O +0423_00039 12.0 60846 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O +0423_00040 13.0 39681 CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C +0423_00041 13.0 91716 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 +0423_00042 14.0 33294 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 +0423_00043 16.0 4044 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C +0423_00044 16.0 31357 CCCCOP(=O)(OCCCC)OCCCC CCCCOP(=O)(OCCCC)OCCCC diff --git a/raw_data/0423/0423_rtdata.tsv.old b/raw_data/0423/0423_rtdata.tsv.old new file mode 100644 index 000000000..9dd83e574 --- /dev/null +++ b/raw_data/0423/0423_rtdata.tsv.old @@ -0,0 +1,45 @@ +rt comment id pubchem.cid pubchem.smiles.isomeric +1.2 draft_01362_00001 4091 CN(C)C(=N)N=C(N)N +1.2 draft_01362_00002 3033889 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(O1)CN(C)C +3.5 draft_01362_00003 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +3.5 draft_01362_00004 21109 COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC +3.6 draft_01362_00005 2756 CC1=C(N=CN1)CSCCNC(=NC)NC#N +4.2 draft_01362_00006 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +4.4 draft_01362_00007 5336 C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N +4.6 draft_01362_00008 2159 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC +4.7 draft_01362_00009 3000540 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O +4.7 draft_01362_00010 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +4.7 draft_01362_00011 25429 COC(=O)NC1=NC2=CC=CC=C2N1 +4.7 draft_01362_00012 62936 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O +5.2 draft_01362_00013 3676 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C +5.2 draft_01362_00014 5327 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C +5.6 draft_01362_00015 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +5.7 draft_01362_00016 5329 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N +5.7 draft_01362_00017 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +5.8 draft_01362_00018 7220 C1=CC2=NNN=C2C=C1 +5.9 draft_01362_00019 2206 CC1=CC(=O)N(N1C)C2=CC=CC=C2 +6.7 draft_01362_00020 2405 CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O +6.9 draft_01362_00021 5656 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O +7.2 draft_01362_00022 4946 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O +7.2 draft_01362_00023 122499 CC1=CC=CC2=NNN=C12 +7.3 draft_01362_00024 39040 CC1=C2C(=CC=C1)SC3=NN=CN23 +7.4 draft_01362_00025 3100 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 +7.9 draft_01362_00026 19388302 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3 +8 draft_01362_00027 34312 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N +8.6 draft_01362_00028 3348 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O +8.9 draft_01362_00029 2328 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O +9.3 draft_01362_00030 2554 C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N +9.9 draft_01362_00031 125098 CCC(C)OC(=O)N1CCCCC1CCO +10 draft_01362_00032 6915744 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O +10 draft_01362_00033 4284 CCN(CC)C(=O)C1=CC=CC(=C1)C +10 draft_01362_00034 42586 CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC +11 draft_01362_00035 3749 CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 +11 draft_01362_00036 3034285 CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC +11 draft_01362_00037 13097 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 +12 draft_01362_00038 156391 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O +12 draft_01362_00039 60846 CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O +13 draft_01362_00040 39681 CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C +13 draft_01362_00041 91716 CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2 +14 draft_01362_00042 33294 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 +16 draft_01362_00043 4044 CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C +16 draft_01362_00044 31357 CCCCOP(=O)(OCCCC)OCCCC diff --git a/raw_data/0424/0424_gradient.tsv b/raw_data/0424/0424_gradient.tsv new file mode 100644 index 000000000..868b0b2aa --- /dev/null +++ b/raw_data/0424/0424_gradient.tsv @@ -0,0 +1,4 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.6 90 10 +5 0.6 90 10 +30 0.6 0 100 diff --git a/raw_data/0424/0424_info.tsv b/raw_data/0424/0424_info.tsv new file mode 100644 index 000000000..169600d72 --- /dev/null +++ b/raw_data/0424/0424_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0424 10.1016/j.chroma.2012.03.059 Submitted by Fangyuan Sun Imma Ferrer, E. Michael Thurman ROASMI_28 diff --git a/raw_data/0424/0424_metadata.tsv b/raw_data/0424/0424_metadata.tsv new file mode 100644 index 000000000..68812e67b --- /dev/null +++ b/raw_data/0424/0424_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.acn.unit eluent.B.h2o.unit eluent.B.acn.unit +0424 Agilent ZORBAX Eclipse XDB-C8 L7 150.0 4.6 3.5 25.0 0.6 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 90.0 10.0 0 0 0.0 100.0 0 0 % % % % diff --git a/raw_data/0424/0424_metadata.yaml b/raw_data/0424/0424_metadata.yaml new file mode 100644 index 000000000..9ad0b29e2 --- /dev/null +++ b/raw_data/0424/0424_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Agilent ZORBAX Eclipse XDB-C8 + id: 4.6 + temperature: 25 + flowrate: 0.6 + usp.code: L7 + length: 150 + particle.size: '3.5' +eluent: + A: + h2o: + value: 100 + unit: '%' + acn: + value: 0 + unit: '%' + formic: + value: 0.1 + unit: '%' + B: + h2o: + value: 0 + unit: '%' + acn: + value: 100 + unit: '%' + formic: + value: 0.1 + unit: '%' +id: '0424' diff --git a/raw_data/0424/0424_rtdata.tsv b/raw_data/0424/0424_rtdata.tsv new file mode 100644 index 000000000..53fdb8232 --- /dev/null +++ b/raw_data/0424/0424_rtdata.tsv @@ -0,0 +1,68 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0424_00001 2.3 4091 CN(C)C(=N)N=C(N)N CN(C)C(=N)N=C(N)N +0424_00002 3.2 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +0424_00003 4.0 2083 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O +0424_00004 4.2 2249 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C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0424_00018 10.1 5284569 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4 +0424_00019 10.4 5578 COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N +0424_00020 10.4 6249 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C +0424_00021 10.6 5340 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 +0424_00022 11.1 33741 CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O +0424_00023 11.3 125017 CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O +0424_00024 11.5 5325 CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N +0424_00025 12.1 4171 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O CC(C)NCC(COC1=CC=C(C=C1)CCOC)O +0424_00026 12.1 5360697 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O +0424_00027 12.2 447043 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54454 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C diff --git a/raw_data/0425/0425_gradient.tsv b/raw_data/0425/0425_gradient.tsv new file mode 100644 index 000000000..f88359049 --- /dev/null +++ b/raw_data/0425/0425_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0.1 0.2 99 1 +3 0.2 61 39 +14 0.4 0.1 99.9 +16 0.48 0.1 99.9 diff --git a/raw_data/0425/0425_info.tsv b/raw_data/0425/0425_info.tsv new file mode 100644 index 000000000..44a1b61d6 --- /dev/null +++ b/raw_data/0425/0425_info.tsv @@ -0,0 +1,2 @@ +id url source comment authors name missing information mail +0425 10.1016/j.jhazmat.2019.121713 Submitted by Fangyuan Sun Mengling Tang, Yanhui Ao, Peifang Wang, Chao Wang ROASMI_70 general flowrate, can be obtained from gradient data diff --git a/raw_data/0425/0425_metadata.tsv b/raw_data/0425/0425_metadata.tsv new file mode 100644 index 000000000..2ba38f753 --- /dev/null +++ b/raw_data/0425/0425_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit +0425 Thermo Scientific Acclaim RSLC 120 C18 L1 100.0 2.1 2.2 30.0 90 10 0 0 0 0 0 0 0 0.0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.0 1.0 0 0 0.1 99.9 0 0 % % % % diff --git a/raw_data/0425/0425_metadata.yaml b/raw_data/0425/0425_metadata.yaml new file mode 100644 index 000000000..a5658974c --- /dev/null +++ b/raw_data/0425/0425_metadata.yaml @@ -0,0 +1,29 @@ +column: + name: Thermo Scientific Acclaim RSLC 120 C18 + id: 2.1 + temperature: 30 + usp.code: L1 + length: 100 + particle.size: '2.2' +eluent: + A: + h2o: + value: 90 + unit: '%' + meoh: + value: 10 + unit: '%' + nh4ac: + value: 5 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + nh4ac: + value: 5 + unit: mM +id: '0425' diff --git a/raw_data/0425/0425_rtdata.tsv b/raw_data/0425/0425_rtdata.tsv new file mode 100644 index 000000000..fbfe27329 --- /dev/null +++ b/raw_data/0425/0425_rtdata.tsv @@ -0,0 +1,304 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0425_00001 2.88 243 C1=CC=C(C=C1)C(=O)O C1=CC=C(C=C1)C(=O)O +0425_00002 3.58 338 C1=CC=C(C(=C1)C(=O)O)O C1=CC=C(C(=C1)C(=O)O)O +0425_00003 4.5 1493 C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O +0425_00004 1.67 1639 C1=NNC(=N1)N C1=NNC(=N1)N +0425_00005 12.92 1752 CCCCCCCCCC1=CC=C(C=C1)O CCCCCCCCCC1=CC=C(C=C1)O +0425_00006 8.26 1775 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 +0425_00007 3.09 1982 CC(=O)NP(=O)(OC)SC CC(=O)NP(=O)(OC)SC +0425_00008 3.24 1986 CC(=O)NC1=NN=C(S1)S(=O)(=O)N CC(=O)NC1=NN=C(S1)S(=O)(=O)N +0425_00009 4.06 2083 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O +0425_00010 5.08 2159 CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC +0425_00011 7.9 2164 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C CCC1(C(=O)NC(=O)NC1=O)CCC(C)C +0425_00012 6.38 2187 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N +0425_00013 4.98 2242 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N +0425_00014 4.8 2294 CCC1(C(=O)NC(=O)NC1=O)CC CCC1(C(=O)NC(=O)NC1=O)CC +0425_00015 4.49 2328 CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O +0425_00016 9.24 2466 CCCCOC1=CC=C(C=C1)CC(=O)NO CCCCOC1=CC=C(C=C1)CC(=O)NO +0425_00017 6.73 2471 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 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draft_01362_00286 135413535 CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N +5.72 draft_01362_00287 135413636 CC1=NN=C(C(=O)N1)C2=CC=CC=C2 +7.97 draft_01362_00288 135424353 CCCCC1=C(N=C(NC1=O)N(C)C)C +8.39 draft_01362_00289 135424354 CCCCC1=C(N=C(NC1=O)NCC)C +8.19 draft_01362_00290 135461611 CC(C)NC1=NC(=NC(=O)N1)NC(C)C +8.46 draft_01362_00291 135495928 CCNC1=NC(=O)NC(=N1)NC(C)(C)C +8.04 draft_01362_00292 135502804 CC(C)(C)C1=NN=C(NC1=O)SC +4.08 draft_01362_00293 135510207 CC(C)NC1=NC(=O)NC(=N1)N +5.42 draft_01362_00294 135612794 CC(C)(C)NC1=NC(=O)NC(=N1)N +11.51 draft_01362_00295 139595647 CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC(=C(C=C3)OC)O +6.61 draft_01362_00296 12073407 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=CC(=O)CC[C@]34C)O +6.99 draft_01362_00297 13833941 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)O +9.89 draft_01362_00298 3472787 CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O +10.16 draft_01362_00299 3804937 CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC +10.16 draft_01362_00300 114833 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O +11.26 draft_01362_00301 13923912 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O +13.1 draft_01362_00302 6128 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C +13.96 draft_01362_00303 6429856 C[C@]1(CCC2C1(CCC3C2CC[C@H]4C3(CC[C@@H](C4)O)C)C)O diff --git a/raw_data/studies.tsv b/raw_data/studies.tsv index da91058c8..d34e1e277 100644 --- a/raw_data/studies.tsv +++ b/raw_data/studies.tsv @@ -389,4 +389,37 @@ id name url pmid source method.type comment missing information authors mail 0390 Brungs_NIH MZmine RP C. Brungs, R. Schmid, T. Pluskal 0391 Brungs_MCE MZmine RP C. Brungs, R. Schmid, T. Pluskal 0392 UIUC_Carver Dataset - La Frano RP M. R. La Frano +0393 SQFZ_injection 10.1016/j.jpba.2012.10.024 Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su +0394 ACQUITY_UPLC_HSSC18_QTOF_20min PredRet Submitted by Fangyuan Sun temperature, column id, column length, column particle size +0395 ST001610 Submitted from Fangyuan Sun. Dr. Xiaozhuo Chen +0396 ROASMI_55 10.1016/j.chroma.2013.03.006 Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan +0397 ROASMI_68 10.1016/j.phytochem.2014.10.005 Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt +0398 ROASMI_19 10.1016/j.chroma.2011.01.060 Submitted by Fangyuan Sun David R. Baker a, Barbara Kasprzyk-Hordern +0399 ROASMI_52 10.1016/j.chroma.2012.12.030 Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández +0400 ROASMI_79 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0401 ROASMI_80 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0402 ROASMI_81 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0403 ROASMI_82 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg +0404 ROASMI_49 10.1016/j.chroma.2015.03.063 Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron +0405 ROASMI_51 10.1038/s41596-020-0341-5 Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu +0406 ROASMI_7 10.1016/j.jpba.2015.06.020 Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang , Yan Zhu , Lei Zhang , Xin Chai, Miaomiao Jiang, Lihua Shan +0407 ROASMI_33 10.1021/acs.jafc.0c00879 Submitted by Fangyuan Sun Panagiotis Arapitsas,Maurizio Ugliano,Matteo Marangon,Paola Piombino,Luca Rolle,Vincenzo Gerbi,Andrea Versari,Fulvio Mattivi +0408 ROASMI_43 10.1007/s00216-013-6954-6 Submitted by Fangyuan Sun column temperature and flowrate Stanstrup, J., Gerlich, M., Dragsted, L.O. et al +0409 ROASMI_46 10.1016/j.scitotenv.2015.09.145 Submitted by Fangyuan Sun column.temperature Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis +0410 ROASMI_30 10.1007/s00216-015-8540-6 Submitted by Fangyuan Sun column temperature Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al +0411 ROASMI_18 10.1016/j.foodchem.2018.11.056 Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu +0412 ROASMI_61 10.1016/j.foodchem.2015.11.070 Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich +0413 ROASMI_6 10.1016/j.jpba.2019.06.042 Submitted by Fangyuan Sun column temperature Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua +0414 ROASMI_67 10.1016/j.chroma.2014.05.003 Submitted by Fangyuan Sun column temperature José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz +0415 ROASMI_83 10.1016/j.chroma.2015.11.014 Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes +0416 ROASMI_37 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Flowrate:0.3-0.4 Tsugawa, H., Nakabayashi, R., Mori, T. et al +0417 ROASMI_45 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun flowrate:0.3-0.4 Tsugawa, H., Nakabayashi, R., Mori, T. et al +0418 ROASMI_41 10.1016/j.aca.2019.02.001 Submitted by Fangyuan Sun Yezhen Huang, Yu Jiao, Yiqiao Gao, et al +0419 ROASMI_59 10.1038/s41597-019-0305-1 Submitted by Fangyuan Sun column temperature Olivier-Jimenez, D., Chollet-Krugler, M., Rondeau, D. et al. +0420 ROASMI_60 10.1038/s41597-019-0028-3 Submitted by Fangyuan Sun Fox Ramos, A.E., Le Pogam, P., Fox Alcover, C. et al +0421 ROASMI_54 10.1016/j.aca.2011.01.006 Submitted by Fangyuan Sun Yves Moulard, Ludovic Bailly-Chouriberry, Sophie Boyer, Patrice Garcia, Marie-Agnès Popot, Yves Bonnaire +0422 ROASMI_2 10.1016/j.foodchem.2018.09.045 Submitted by Fangyuan Sun column temperature Vesna Vasić, Uroš Gašić, Dalibor Stanković, Dražen Lušić, Darija Vukić-Lušić, Dušanka Milojković-Opsenica, Živoslav Tešić, Jelena Trifković +0423 ROASMI_11 10.1016/j.jhazmat.2020.123706 Submitted by Fangyuan Sun column id, temperature, length, particle size Younghun Choi, Ji-Ho Lee, Kyunghyun Kim, Hyunsaing Mun, Naree Park, Junho Jeon +0424 ROASMI_28 10.1016/j.chroma.2012.03.059 Submitted by Fangyuan Sun Imma Ferrer, E. Michael Thurman +0425 ROASMI_70 10.1016/j.jhazmat.2019.121713 Submitted by Fangyuan Sun general flowrate, can be obtained from gradient data Mengling Tang, Yanhui Ao, Peifang Wang, Chao Wang draft_23062 ROASMI_23 10.1039/c6ra10883k Submitted by Fangyuan Sun Submitted by Fangyuan Sun. Changliang Yao, Wenzhi Yang Wei Si, Huiqin Pan, Shi Qiu, Jia Wu, Xiaojian Shi, Ruihong Feng, Wanying Wu and Dean Guo